REMARK Name = BDB063515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 5 -2.121 -3.011 -0.297 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 N ILE A 5 -3.447 -2.783 -0.857 0.00 0.00 -0.302 N ATOM 3 H ILE A 5 -3.731 -3.252 -1.719 0.00 0.00 +0.150 HD ATOM 4 C GLU A 4 -4.239 -1.777 -0.344 0.00 0.00 +0.234 C ATOM 5 O GLU A 4 -3.984 -1.215 0.726 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 CA GLU A 4 -5.467 -1.384 -1.210 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N GLU A 4 -6.034 -0.177 -0.595 0.00 0.00 -0.302 N ATOM 8 H GLU A 4 -5.348 0.552 -0.436 0.00 0.00 +0.150 HD ATOM 9 C GLU A 3 -7.072 -0.238 0.316 0.00 0.00 +0.234 C ATOM 10 O GLU A 3 -7.815 -1.211 0.426 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 CA GLU A 3 -7.198 1.042 1.186 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 N GLU A 3 -8.489 1.082 1.849 0.00 0.00 -0.302 N ATOM 13 H GLU A 3 -8.561 0.654 2.772 0.00 0.00 +0.150 HD ATOM 14 C GLU A 2 -9.637 1.439 1.194 0.00 0.00 +0.234 C ATOM 15 O GLU A 2 -9.676 1.697 -0.011 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA GLU A 2 -10.914 1.383 2.052 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 N GLU A 2 -11.877 2.328 1.513 0.00 0.00 -0.303 N ATOM 18 H GLU A 2 -11.790 2.664 0.547 0.00 0.00 +0.149 HD ATOM 19 C SER A 1 -13.081 2.610 2.115 0.00 0.00 +0.233 C ATOM 20 O SER A 1 -13.365 2.227 3.246 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 CA SER A 1 -14.019 3.479 1.250 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 N SER A 1 -13.507 3.584 -0.147 0.00 0.00 -0.318 NA ATOM 23 H1 SER A 1 -14.174 4.161 -0.663 0.00 0.00 +0.119 HD ATOM 24 H2 SER A 1 -13.660 2.663 -0.580 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 CB SER A 1 -15.461 2.936 1.300 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 OG SER A 1 -15.731 2.040 0.217 0.00 0.00 -0.393 OA ATOM 27 H SER A 1 -15.146 1.256 0.314 0.00 0.00 +0.209 HD ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 16 17 BRANCH 16 28 ATOM 28 CB GLU A 2 -11.441 -0.063 2.093 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 CG GLU A 2 -11.661 -0.716 0.726 0.00 0.00 +0.123 C BRANCH 29 30 ATOM 30 CD GLU A 2 -12.616 0.055 -0.144 0.00 0.00 +0.305 C ATOM 31 OE1 GLU A 2 -13.829 0.074 0.018 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 OE2 GLU A 2 -12.019 0.807 -1.092 0.00 0.00 -0.481 OA ATOM 33 HE2 GLU A 2 -11.034 0.867 -1.018 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 16 28 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 34 ATOM 34 CB GLU A 3 -6.044 1.094 2.202 0.00 0.00 +0.043 C BRANCH 34 35 ATOM 35 CG GLU A 3 -6.067 2.321 3.120 0.00 0.00 +0.123 C BRANCH 35 36 ATOM 36 CD GLU A 3 -7.005 2.167 4.292 0.00 0.00 +0.305 C ATOM 37 OE1 GLU A 3 -7.812 1.271 4.478 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 OE2 GLU A 3 -6.881 3.181 5.170 0.00 0.00 -0.481 OA ATOM 39 HE2 GLU A 3 -7.530 2.988 5.878 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 11 34 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 40 ATOM 40 CB GLU A 4 -5.082 -1.054 -2.666 0.00 0.00 +0.043 C BRANCH 40 41 ATOM 41 CG GLU A 4 -5.980 -1.758 -3.685 0.00 0.00 +0.123 C BRANCH 41 42 ATOM 42 CD GLU A 4 -5.708 -3.240 -3.736 0.00 0.00 +0.305 C ATOM 43 OE1 GLU A 4 -4.947 -3.826 -2.981 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 OE2 GLU A 4 -6.402 -3.873 -4.706 0.00 0.00 -0.481 OA ATOM 45 HE2 GLU A 4 -6.961 -3.283 -5.247 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 6 40 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 46 ATOM 46 C ILE A 5 -1.233 -1.752 -0.523 0.00 0.00 +0.234 C ATOM 47 N ASP A 6 -0.136 -1.670 0.315 0.00 0.00 -0.302 N ATOM 48 H ASP A 6 0.273 -2.547 0.615 0.00 0.00 +0.150 HD ATOM 49 O ILE A 5 -1.505 -0.869 -1.336 0.00 0.00 -0.274 OA BRANCH 47 50 ATOM 50 CA ASP A 6 0.789 -0.535 0.214 0.00 0.00 +0.169 C BRANCH 50 51 ATOM 51 C ASP A 6 1.976 -0.966 -0.671 0.00 0.00 +0.234 C ATOM 52 N VAL A 7 2.734 0.081 -1.154 0.00 0.00 -0.302 N ATOM 53 H VAL A 7 2.555 0.998 -0.738 0.00 0.00 +0.150 HD ATOM 54 O ASP A 6 2.260 -2.152 -0.858 0.00 0.00 -0.274 OA BRANCH 52 55 ATOM 55 CA VAL A 7 4.099 -0.150 -1.629 0.00 0.00 +0.161 C BRANCH 55 56 ATOM 56 C VAL A 7 4.999 -0.231 -0.364 0.00 0.00 +0.234 C ATOM 57 N VAL A 8 6.248 -0.769 -0.563 0.00 0.00 -0.302 N ATOM 58 H VAL A 8 6.596 -0.849 -1.511 0.00 0.00 +0.150 HD ATOM 59 O VAL A 7 4.616 0.143 0.746 0.00 0.00 -0.274 OA BRANCH 57 60 ATOM 60 CA VAL A 8 7.284 -0.720 0.475 0.00 0.00 +0.161 C BRANCH 60 61 ATOM 61 C VAL A 8 8.295 0.365 0.040 0.00 0.00 +0.234 C ATOM 62 N SER A 9 8.958 1.005 1.056 0.00 0.00 -0.301 N ATOM 63 H SER A 9 8.963 0.602 1.985 0.00 0.00 +0.150 HD ATOM 64 O VAL A 8 8.499 0.631 -1.145 0.00 0.00 -0.274 OA BRANCH 62 65 ATOM 65 CA SER A 9 10.073 1.904 0.773 0.00 0.00 +0.184 C BRANCH 65 66 ATOM 66 C SER A 9 11.382 1.093 0.657 0.00 0.00 +0.236 C ATOM 67 N VAL A 10 12.395 1.736 -0.029 0.00 0.00 -0.301 N ATOM 68 H VAL A 10 12.302 2.732 -0.179 0.00 0.00 +0.150 HD ATOM 69 O SER A 9 11.528 -0.027 1.143 0.00 0.00 -0.274 OA BRANCH 67 70 ATOM 70 CA VAL A 10 13.768 1.238 0.020 0.00 0.00 +0.184 C BRANCH 70 71 ATOM 71 CB VAL A 10 14.463 1.258 -1.358 0.00 0.00 +0.014 C ATOM 72 CG2 VAL A 10 14.457 2.632 -2.035 0.00 0.00 +0.009 C ATOM 73 CG1 VAL A 10 13.832 0.219 -2.291 0.00 0.00 +0.009 C ENDBRANCH 70 71 BRANCH 70 74 ATOM 74 C VAL A 10 14.529 2.094 1.044 0.00 0.00 +0.326 C ATOM 75 O VAL A 10 14.233 3.253 1.310 0.00 0.00 -0.249 OA BRANCH 74 76 ATOM 76 OXT VAL A 10 15.590 1.471 1.607 0.00 0.00 -0.479 OA ATOM 77 HXT VAL A 10 15.690 0.534 1.349 0.00 0.00 +0.295 HD ENDBRANCH 74 76 ENDBRANCH 70 74 ENDBRANCH 67 70 ENDBRANCH 65 66 BRANCH 65 78 ATOM 78 CB SER A 9 10.206 2.966 1.871 0.00 0.00 +0.187 C BRANCH 78 79 ATOM 79 OG SER A 9 10.192 2.361 3.167 0.00 0.00 -0.393 OA ATOM 80 H SER A 9 10.328 3.076 3.817 0.00 0.00 +0.209 HD ENDBRANCH 78 79 ENDBRANCH 65 78 ENDBRANCH 62 65 ENDBRANCH 60 61 BRANCH 60 81 ATOM 81 CB VAL A 8 7.909 -2.118 0.677 0.00 0.00 +0.012 C ATOM 82 CG2 VAL A 8 8.691 -2.219 1.989 0.00 0.00 +0.009 C ATOM 83 CG1 VAL A 8 8.790 -2.575 -0.489 0.00 0.00 +0.009 C ENDBRANCH 60 81 ENDBRANCH 57 60 ENDBRANCH 55 56 BRANCH 55 84 ATOM 84 CB VAL A 7 4.491 0.953 -2.639 0.00 0.00 +0.012 C ATOM 85 CG2 VAL A 7 5.629 0.531 -3.570 0.00 0.00 +0.009 C ATOM 86 CG1 VAL A 7 4.816 2.299 -1.983 0.00 0.00 +0.009 C ENDBRANCH 55 84 ENDBRANCH 52 55 ENDBRANCH 50 51 BRANCH 50 87 ATOM 87 CB ASP A 6 1.305 -0.167 1.610 0.00 0.00 +0.152 C BRANCH 87 88 ATOM 88 CG ASP A 6 1.779 1.263 1.658 0.00 0.00 +0.307 C ATOM 89 OD1 ASP A 6 1.820 2.017 0.696 0.00 0.00 -0.251 OA BRANCH 88 90 ATOM 90 OD2 ASP A 6 2.163 1.650 2.897 0.00 0.00 -0.481 OA ATOM 91 HD2 ASP A 6 2.167 0.927 3.550 0.00 0.00 +0.295 HD ENDBRANCH 88 90 ENDBRANCH 87 88 ENDBRANCH 50 87 ENDBRANCH 47 50 ENDBRANCH 1 46 BRANCH 1 92 ATOM 92 CB ILE A 5 -1.453 -4.325 -0.775 0.00 0.00 +0.015 C ATOM 93 CG2 ILE A 5 -2.110 -5.524 -0.070 0.00 0.00 +0.010 C BRANCH 92 95 ATOM 94 CD1 ILE A 5 -0.824 -3.515 -3.156 0.00 0.00 +0.004 C ATOM 95 CG1 ILE A 5 -1.461 -4.592 -2.297 0.00 0.00 +0.002 C ENDBRANCH 92 95 ENDBRANCH 1 92 TORSDOF 45