REMARK Name = BDB061756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N SER A 7 -1.131 -0.001 1.057 0.00 0.00 -0.301 N ATOM 2 H SER A 7 -1.201 -0.369 2.002 0.00 0.00 +0.150 HD ATOM 3 C MET A 6 -2.223 0.048 0.231 0.00 0.00 +0.234 C ATOM 4 O MET A 6 -2.202 0.637 -0.849 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA MET A 6 -3.446 -0.737 0.758 0.00 0.00 +0.160 C BRANCH 5 6 ATOM 6 N MET A 6 -4.585 -0.533 -0.124 0.00 0.00 -0.302 N ATOM 7 H MET A 6 -4.545 -1.036 -1.009 0.00 0.00 +0.150 HD ATOM 8 C LEU A 5 -5.323 0.628 -0.076 0.00 0.00 +0.234 C ATOM 9 O LEU A 5 -5.149 1.508 0.762 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA LEU A 5 -6.373 0.744 -1.203 0.00 0.00 +0.159 C BRANCH 10 11 ATOM 11 N LEU A 5 -7.386 1.692 -0.752 0.00 0.00 -0.302 N ATOM 12 H LEU A 5 -7.088 2.657 -0.708 0.00 0.00 +0.150 HD ATOM 13 C VAL A 4 -8.350 1.294 0.149 0.00 0.00 +0.234 C ATOM 14 O VAL A 4 -8.482 0.119 0.508 0.00 0.00 -0.274 OA BRANCH 13 15 ATOM 15 CA VAL A 4 -9.265 2.429 0.677 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 N VAL A 4 -10.390 1.808 1.379 0.00 0.00 -0.302 N ATOM 17 H VAL A 4 -10.185 1.406 2.285 0.00 0.00 +0.150 HD ATOM 18 C GLU A 3 -11.395 1.216 0.640 0.00 0.00 +0.234 C ATOM 19 O GLU A 3 -11.525 1.389 -0.573 0.00 0.00 -0.274 OA BRANCH 18 20 ATOM 20 CA GLU A 3 -12.333 0.273 1.426 0.00 0.00 +0.159 C BRANCH 20 21 ATOM 21 N GLU A 3 -13.391 -0.140 0.507 0.00 0.00 -0.302 N ATOM 22 H GLU A 3 -13.133 -0.134 -0.477 0.00 0.00 +0.150 HD ATOM 23 C GLU A 2 -14.720 -0.152 0.846 0.00 0.00 +0.234 C ATOM 24 O GLU A 2 -15.129 0.034 1.998 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 CA GLU A 2 -15.690 -0.424 -0.329 0.00 0.00 +0.159 C BRANCH 25 26 ATOM 26 N GLU A 2 -17.016 -0.517 0.275 0.00 0.00 -0.303 N ATOM 27 H GLU A 2 -17.135 0.008 1.135 0.00 0.00 +0.149 HD ATOM 28 C ASP A 1 -17.873 -1.549 -0.027 0.00 0.00 +0.231 C ATOM 29 O ASP A 1 -17.747 -2.240 -1.033 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 CA ASP A 1 -19.026 -1.728 0.985 0.00 0.00 +0.148 C BRANCH 30 31 ATOM 31 N ASP A 1 -19.918 -2.826 0.555 0.00 0.00 -0.320 NA ATOM 32 H1 ASP A 1 -19.397 -3.707 0.659 0.00 0.00 +0.119 HD ATOM 33 H2 ASP A 1 -20.021 -2.759 -0.464 0.00 0.00 +0.119 HD ENDBRANCH 30 31 BRANCH 30 34 ATOM 34 CB ASP A 1 -18.505 -1.951 2.408 0.00 0.00 +0.148 C BRANCH 34 35 ATOM 35 CG ASP A 1 -17.412 -2.990 2.457 0.00 0.00 +0.307 C ATOM 36 OD1 ASP A 1 -17.505 -4.099 1.950 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 OD2 ASP A 1 -16.307 -2.602 3.140 0.00 0.00 -0.481 OA ATOM 38 HD2 ASP A 1 -16.277 -1.669 3.439 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 39 ATOM 39 CB GLU A 2 -15.636 0.674 -1.395 0.00 0.00 +0.043 C BRANCH 39 40 ATOM 40 CG GLU A 2 -16.510 0.346 -2.609 0.00 0.00 +0.123 C BRANCH 40 41 ATOM 41 CD GLU A 2 -16.340 1.358 -3.706 0.00 0.00 +0.305 C ATOM 42 OE1 GLU A 2 -15.574 2.308 -3.729 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 OE2 GLU A 2 -17.154 1.113 -4.749 0.00 0.00 -0.481 OA ATOM 44 HE2 GLU A 2 -16.956 1.829 -5.389 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 25 39 ENDBRANCH 23 25 ENDBRANCH 20 21 BRANCH 20 45 ATOM 45 CB GLU A 3 -11.595 -0.938 2.009 0.00 0.00 +0.043 C BRANCH 45 46 ATOM 46 CG GLU A 3 -10.994 -1.872 0.956 0.00 0.00 +0.123 C BRANCH 46 47 ATOM 47 CD GLU A 3 -9.941 -2.749 1.583 0.00 0.00 +0.305 C ATOM 48 OE1 GLU A 3 -10.162 -3.867 2.023 0.00 0.00 -0.251 OA BRANCH 47 49 ATOM 49 OE2 GLU A 3 -8.725 -2.167 1.655 0.00 0.00 -0.481 OA ATOM 50 HE2 GLU A 3 -8.644 -1.308 1.163 0.00 0.00 +0.295 HD ENDBRANCH 47 49 ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 20 45 ENDBRANCH 18 20 ENDBRANCH 15 16 BRANCH 15 51 ATOM 51 CB VAL A 4 -8.494 3.436 1.560 0.00 0.00 +0.012 C ATOM 52 CG2 VAL A 4 -7.958 2.824 2.856 0.00 0.00 +0.009 C ATOM 53 CG1 VAL A 4 -9.358 4.662 1.881 0.00 0.00 +0.009 C ENDBRANCH 15 51 ENDBRANCH 13 15 ENDBRANCH 10 11 BRANCH 10 54 ATOM 54 CB LEU A 5 -5.686 1.216 -2.496 0.00 0.00 +0.034 C BRANCH 54 55 ATOM 55 CG LEU A 5 -6.479 1.031 -3.808 0.00 0.00 -0.015 C ATOM 56 CD2 LEU A 5 -6.689 -0.442 -4.152 0.00 0.00 +0.007 C ATOM 57 CD1 LEU A 5 -7.814 1.775 -3.821 0.00 0.00 +0.007 C ENDBRANCH 54 55 ENDBRANCH 10 54 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 58 ATOM 58 CB MET A 6 -3.137 -2.235 0.928 0.00 0.00 +0.042 C BRANCH 58 59 ATOM 59 CG MET A 6 -2.401 -2.914 -0.237 0.00 0.00 +0.071 C BRANCH 59 60 ATOM 60 SD MET A 6 -3.358 -2.926 -1.792 0.00 0.00 -0.164 S ATOM 61 CE MET A 6 -1.999 -3.272 -2.937 0.00 0.00 +0.084 C ENDBRANCH 59 60 ENDBRANCH 58 59 ENDBRANCH 5 58 ENDBRANCH 3 5 BRANCH 1 62 ATOM 62 CA SER A 7 0.128 0.658 0.736 0.00 0.00 +0.184 C BRANCH 62 65 ATOM 63 N LEU A 8 2.525 0.141 0.811 0.00 0.00 -0.302 N ATOM 64 H LEU A 8 2.662 1.014 0.308 0.00 0.00 +0.150 HD ATOM 65 C SER A 7 1.277 -0.229 1.247 0.00 0.00 +0.236 C ATOM 66 O SER A 7 1.090 -1.219 1.955 0.00 0.00 -0.274 OA BRANCH 63 67 ATOM 67 CA LEU A 8 3.741 -0.557 1.208 0.00 0.00 +0.159 C BRANCH 67 70 ATOM 68 N VAL A 9 6.135 -0.035 1.425 0.00 0.00 -0.302 N ATOM 69 H VAL A 9 6.248 -0.996 1.737 0.00 0.00 +0.150 HD ATOM 70 C LEU A 8 4.912 0.423 1.010 0.00 0.00 +0.234 C ATOM 71 O LEU A 8 4.746 1.542 0.520 0.00 0.00 -0.274 OA BRANCH 68 72 ATOM 72 CA VAL A 9 7.370 0.723 1.225 0.00 0.00 +0.161 C BRANCH 72 75 ATOM 73 N ILE A 10 9.438 0.195 -0.009 0.00 0.00 -0.302 N ATOM 74 H ILE A 10 9.572 1.200 -0.039 0.00 0.00 +0.150 HD ATOM 75 C VAL A 9 8.436 -0.306 0.789 0.00 0.00 +0.234 C ATOM 76 O VAL A 9 8.367 -1.492 1.116 0.00 0.00 -0.274 OA BRANCH 73 77 ATOM 77 CA ILE A 10 10.599 -0.605 -0.414 0.00 0.00 +0.162 C BRANCH 77 78 ATOM 78 C ILE A 10 11.828 0.042 0.262 0.00 0.00 +0.234 C ATOM 79 N GLU A 11 12.905 -0.793 0.471 0.00 0.00 -0.302 N ATOM 80 H GLU A 11 12.949 -1.641 -0.077 0.00 0.00 +0.150 HD ATOM 81 O ILE A 10 11.842 1.232 0.585 0.00 0.00 -0.274 OA BRANCH 79 82 ATOM 82 CA GLU A 11 14.155 -0.243 0.972 0.00 0.00 +0.159 C BRANCH 82 83 ATOM 83 C GLU A 11 14.960 0.407 -0.175 0.00 0.00 +0.234 C ATOM 84 N MET A 12 15.973 1.248 0.253 0.00 0.00 -0.301 N ATOM 85 H MET A 12 16.169 1.256 1.247 0.00 0.00 +0.150 HD ATOM 86 O GLU A 11 14.808 0.111 -1.359 0.00 0.00 -0.274 OA BRANCH 84 87 ATOM 87 CA MET A 12 17.058 1.588 -0.664 0.00 0.00 +0.182 C BRANCH 87 88 ATOM 88 C MET A 12 17.985 0.365 -0.786 0.00 0.00 +0.325 C ATOM 89 O MET A 12 18.054 -0.527 0.055 0.00 0.00 -0.249 OA BRANCH 88 90 ATOM 90 OXT MET A 12 18.759 0.364 -1.894 0.00 0.00 -0.479 OA ATOM 91 HXT MET A 12 18.576 1.091 -2.522 0.00 0.00 +0.295 HD ENDBRANCH 88 90 ENDBRANCH 87 88 BRANCH 87 92 ATOM 92 CB MET A 12 17.830 2.833 -0.210 0.00 0.00 +0.044 C BRANCH 92 93 ATOM 93 CG MET A 12 18.609 2.640 1.096 0.00 0.00 +0.071 C BRANCH 93 94 ATOM 94 SD MET A 12 19.348 4.207 1.659 0.00 0.00 -0.164 S ATOM 95 CE MET A 12 20.825 4.241 0.613 0.00 0.00 +0.084 C ENDBRANCH 93 94 ENDBRANCH 92 93 ENDBRANCH 87 92 ENDBRANCH 84 87 ENDBRANCH 82 83 BRANCH 82 96 ATOM 96 CB GLU A 11 15.006 -1.304 1.688 0.00 0.00 +0.043 C BRANCH 96 97 ATOM 97 CG GLU A 11 15.513 -2.431 0.786 0.00 0.00 +0.123 C BRANCH 97 98 ATOM 98 CD GLU A 11 16.552 -3.242 1.515 0.00 0.00 +0.305 C ATOM 99 OE1 GLU A 11 16.282 -4.221 2.194 0.00 0.00 -0.251 OA BRANCH 98 100 ATOM 100 OE2 GLU A 11 17.810 -2.765 1.391 0.00 0.00 -0.481 OA ATOM 101 HE2 GLU A 11 17.910 -1.961 0.824 0.00 0.00 +0.295 HD ENDBRANCH 98 100 ENDBRANCH 97 98 ENDBRANCH 96 97 ENDBRANCH 82 96 ENDBRANCH 79 82 ENDBRANCH 77 78 BRANCH 77 102 ATOM 102 CB ILE A 10 10.687 -0.681 -1.959 0.00 0.00 +0.015 C ATOM 103 CG2 ILE A 10 10.998 0.678 -2.597 0.00 0.00 +0.010 C BRANCH 102 105 ATOM 104 CD1 ILE A 10 11.554 -2.118 -3.900 0.00 0.00 +0.004 C ATOM 105 CG1 ILE A 10 11.686 -1.762 -2.425 0.00 0.00 +0.002 C ENDBRANCH 102 105 ENDBRANCH 77 102 ENDBRANCH 73 77 ENDBRANCH 72 75 BRANCH 72 106 ATOM 106 CB VAL A 9 7.725 1.530 2.491 0.00 0.00 +0.012 C ATOM 107 CG2 VAL A 9 8.079 0.645 3.690 0.00 0.00 +0.009 C ATOM 108 CG1 VAL A 9 8.841 2.547 2.243 0.00 0.00 +0.009 C ENDBRANCH 72 106 ENDBRANCH 68 72 ENDBRANCH 67 70 BRANCH 67 109 ATOM 109 CB LEU A 8 3.934 -1.893 0.468 0.00 0.00 +0.034 C BRANCH 109 110 ATOM 110 CG LEU A 8 4.357 -1.816 -1.017 0.00 0.00 -0.015 C ATOM 111 CD2 LEU A 8 3.305 -1.167 -1.915 0.00 0.00 +0.007 C ATOM 112 CD1 LEU A 8 4.662 -3.228 -1.534 0.00 0.00 +0.007 C ENDBRANCH 109 110 ENDBRANCH 67 109 ENDBRANCH 63 67 ENDBRANCH 62 65 BRANCH 62 113 ATOM 113 CB SER A 7 0.179 2.072 1.323 0.00 0.00 +0.187 C BRANCH 113 114 ATOM 114 OG SER A 7 -0.076 2.051 2.730 0.00 0.00 -0.393 OA ATOM 115 H SER A 7 -0.181 2.976 3.015 0.00 0.00 +0.209 HD ENDBRANCH 113 114 ENDBRANCH 62 113 ENDBRANCH 1 62 TORSDOF 56