REMARK Name = BDB044568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ARG A 4 1.732 1.522 -0.909 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 CA PRO A 5 -1.392 3.546 0.165 0.00 0.00 +0.162 C ATOM 3 N PRO A 5 -0.194 3.075 -0.542 0.00 0.00 -0.288 N ATOM 4 C ARG A 4 0.477 1.946 -0.131 0.00 0.00 +0.237 C ATOM 5 O ARG A 4 0.032 1.232 0.775 0.00 0.00 -0.274 OA ATOM 6 CD PRO A 5 0.321 4.094 -1.438 0.00 0.00 +0.109 C ATOM 7 CG PRO A 5 -0.772 5.149 -1.496 0.00 0.00 +0.021 C ATOM 8 CB PRO A 5 -1.409 5.050 -0.115 0.00 0.00 +0.033 C BRANCH 2 11 ATOM 9 N GLN A 6 -2.578 1.462 -0.420 0.00 0.00 -0.302 N ATOM 10 H GLN A 6 -1.848 1.059 0.175 0.00 0.00 +0.150 HD ATOM 11 C PRO A 5 -2.676 2.838 -0.336 0.00 0.00 +0.234 C ATOM 12 O PRO A 5 -3.723 3.442 -0.560 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 CA GLN A 6 -3.767 0.638 -0.579 0.00 0.00 +0.159 C BRANCH 13 16 ATOM 14 N ILE A 7 -5.487 -0.363 0.838 0.00 0.00 -0.302 N ATOM 15 H ILE A 7 -5.989 -0.373 -0.045 0.00 0.00 +0.150 HD ATOM 16 C GLN A 6 -4.171 0.056 0.783 0.00 0.00 +0.234 C ATOM 17 O GLN A 6 -3.379 -0.050 1.716 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 CA ILE A 7 -5.945 -1.266 1.891 0.00 0.00 +0.162 C BRANCH 18 19 ATOM 19 C ILE A 7 -6.279 -2.603 1.177 0.00 0.00 +0.237 C ATOM 20 N PRO A 8 -7.333 -2.704 0.291 0.00 0.00 -0.288 N ATOM 21 CA PRO A 8 -8.414 -1.761 -0.049 0.00 0.00 +0.162 C ATOM 22 CB PRO A 8 -8.811 -2.209 -1.463 0.00 0.00 +0.033 C ATOM 23 CG PRO A 8 -8.647 -3.723 -1.410 0.00 0.00 +0.021 C ATOM 24 CD PRO A 8 -7.436 -3.918 -0.509 0.00 0.00 +0.109 C ATOM 25 O ILE A 7 -5.513 -3.566 1.332 0.00 0.00 -0.274 OA BRANCH 21 26 ATOM 26 C PRO A 8 -9.655 -1.906 0.876 0.00 0.00 +0.237 C ATOM 27 N PRO A 9 -10.653 -0.954 0.790 0.00 0.00 -0.286 N ATOM 28 CA PRO A 9 -10.697 0.271 -0.020 0.00 0.00 +0.184 C ATOM 29 CB PRO A 9 -12.197 0.525 -0.170 0.00 0.00 +0.035 C ATOM 30 CG PRO A 9 -12.758 0.057 1.171 0.00 0.00 +0.021 C ATOM 31 CD PRO A 9 -11.904 -1.157 1.504 0.00 0.00 +0.109 C ATOM 32 O PRO A 8 -9.783 -2.880 1.623 0.00 0.00 -0.274 OA BRANCH 28 33 ATOM 33 C PRO A 9 -10.057 1.505 0.627 0.00 0.00 +0.325 C ATOM 34 O PRO A 9 -9.885 2.579 0.073 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 OXT PRO A 9 -9.748 1.355 1.931 0.00 0.00 -0.479 OA ATOM 36 HXT PRO A 9 -9.407 2.234 2.208 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 21 26 ENDBRANCH 18 19 BRANCH 18 37 ATOM 37 CB ILE A 7 -7.032 -0.678 2.812 0.00 0.00 +0.015 C ATOM 38 CG2 ILE A 7 -7.492 -1.744 3.822 0.00 0.00 +0.010 C BRANCH 37 40 ATOM 39 CD1 ILE A 7 -6.350 1.837 2.835 0.00 0.00 +0.004 C ATOM 40 CG1 ILE A 7 -6.562 0.554 3.627 0.00 0.00 +0.002 C ENDBRANCH 37 40 ENDBRANCH 18 37 ENDBRANCH 14 18 ENDBRANCH 13 16 BRANCH 13 41 ATOM 41 CB GLN A 6 -3.511 -0.519 -1.558 0.00 0.00 +0.041 C BRANCH 41 42 ATOM 42 CG GLN A 6 -3.850 -0.132 -2.995 0.00 0.00 +0.098 C BRANCH 42 43 ATOM 43 CD GLN A 6 -5.344 0.050 -3.186 0.00 0.00 +0.211 C ATOM 44 OE1 GLN A 6 -6.182 -0.096 -2.299 0.00 0.00 -0.276 OA ATOM 45 NE2 GLN A 6 -5.696 0.394 -4.456 0.00 0.00 -0.329 N ATOM 46 HE21 GLN A 6 -6.668 0.610 -4.639 0.00 0.00 +0.145 HD ATOM 47 HE22 GLN A 6 -5.013 0.651 -5.157 0.00 0.00 +0.145 HD ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 13 41 ENDBRANCH 9 13 ENDBRANCH 2 11 ENDBRANCH 1 4 BRANCH 1 48 ATOM 48 N ARG A 4 2.599 0.830 0.038 0.00 0.00 -0.302 N ATOM 49 H ARG A 4 2.161 0.166 0.667 0.00 0.00 +0.150 HD ATOM 50 C PRO A 3 3.945 1.106 0.132 0.00 0.00 +0.234 C ATOM 51 O PRO A 3 4.486 1.971 -0.556 0.00 0.00 -0.274 OA BRANCH 50 52 ATOM 52 CA PRO A 3 4.691 0.292 1.211 0.00 0.00 +0.162 C ATOM 53 N PRO A 3 6.131 0.373 0.993 0.00 0.00 -0.288 N ATOM 54 C TRP A 2 6.728 -0.377 0.009 0.00 0.00 +0.237 C ATOM 55 O TRP A 2 6.093 -1.243 -0.600 0.00 0.00 -0.274 OA ATOM 56 CD PRO A 3 6.751 1.334 1.893 0.00 0.00 +0.109 C ATOM 57 CG PRO A 3 5.588 1.976 2.644 0.00 0.00 +0.021 C ATOM 58 CB PRO A 3 4.493 0.914 2.591 0.00 0.00 +0.033 C BRANCH 54 59 ATOM 59 CA TRP A 2 8.234 -0.200 -0.244 0.00 0.00 +0.163 C BRANCH 59 60 ATOM 60 N TRP A 2 8.892 -1.308 0.454 0.00 0.00 -0.302 N ATOM 61 H TRP A 2 8.597 -2.242 0.198 0.00 0.00 +0.150 HD ATOM 62 C GLU A 1 9.587 -1.115 1.621 0.00 0.00 +0.230 C ATOM 63 O GLU A 1 9.819 -0.005 2.097 0.00 0.00 -0.274 OA BRANCH 62 64 ATOM 64 CA GLU A 1 10.037 -2.417 2.320 0.00 0.00 +0.138 C BRANCH 64 65 ATOM 65 N GLU A 1 11.093 -2.117 3.304 0.00 0.00 -0.320 NA ATOM 66 H1 GLU A 1 10.791 -1.296 3.835 0.00 0.00 +0.119 HD ATOM 67 H2 GLU A 1 11.909 -1.772 2.793 0.00 0.00 +0.119 HD ENDBRANCH 64 65 BRANCH 64 68 ATOM 68 CB GLU A 1 8.847 -3.135 2.974 0.00 0.00 +0.039 C BRANCH 68 69 ATOM 69 CG GLU A 1 8.163 -2.335 4.084 0.00 0.00 +0.122 C BRANCH 69 70 ATOM 70 CD GLU A 1 6.928 -3.035 4.575 0.00 0.00 +0.305 C ATOM 71 OE1 GLU A 1 6.699 -4.231 4.557 0.00 0.00 -0.251 OA BRANCH 70 72 ATOM 72 OE2 GLU A 1 6.030 -2.178 5.094 0.00 0.00 -0.481 OA ATOM 73 HE2 GLU A 1 5.297 -2.760 5.388 0.00 0.00 +0.295 HD ENDBRANCH 70 72 ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 64 68 ENDBRANCH 62 64 ENDBRANCH 59 60 BRANCH 59 74 ATOM 74 CB TRP A 2 8.475 -0.270 -1.763 0.00 0.00 +0.069 C BRANCH 74 75 ATOM 75 CG TRP A 2 9.880 0.064 -2.163 0.00 0.00 -0.020 A ATOM 76 CD2 TRP A 2 10.460 1.371 -2.237 0.00 0.00 +0.003 A ATOM 77 CE2 TRP A 2 11.779 1.216 -2.664 0.00 0.00 +0.047 A ATOM 78 CZ2 TRP A 2 12.646 2.298 -2.848 0.00 0.00 +0.026 A ATOM 79 CH2 TRP A 2 12.155 3.578 -2.574 0.00 0.00 +0.002 A ATOM 80 CZ3 TRP A 2 10.844 3.767 -2.148 0.00 0.00 +0.001 A ATOM 81 NE1 TRP A 2 11.991 -0.129 -2.845 0.00 0.00 -0.360 N ATOM 82 HE1 TRP A 2 12.862 -0.532 -3.158 0.00 0.00 +0.165 HD ATOM 83 CE3 TRP A 2 9.984 2.674 -1.980 0.00 0.00 +0.010 A ATOM 84 CD1 TRP A 2 10.855 -0.834 -2.553 0.00 0.00 +0.087 A ENDBRANCH 74 75 ENDBRANCH 59 74 ENDBRANCH 54 59 ENDBRANCH 50 52 ENDBRANCH 1 48 BRANCH 1 85 ATOM 85 CB ARG A 4 1.303 0.600 -2.061 0.00 0.00 +0.033 C BRANCH 85 86 ATOM 86 CG ARG A 4 2.482 0.125 -2.916 0.00 0.00 +0.023 C BRANCH 86 87 ATOM 87 CD ARG A 4 2.050 -0.796 -4.062 0.00 0.00 +0.115 C BRANCH 87 88 ATOM 88 NE ARG A 4 1.454 -2.034 -3.582 0.00 0.00 -0.356 N ATOM 89 HE ARG A 4 0.495 -1.919 -3.279 0.00 0.00 +0.162 HD BRANCH 88 90 ATOM 90 CZ ARG A 4 2.132 -2.981 -2.894 0.00 0.00 +0.188 C ATOM 91 NH1 ARG A 4 1.598 -3.760 -2.028 0.00 0.00 -0.269 NA ATOM 92 HH1 ARG A 4 0.603 -3.558 -1.939 0.00 0.00 +0.190 HD BRANCH 90 93 ATOM 93 NH2 ARG A 4 3.443 -3.095 -3.164 0.00 0.00 -0.370 N ATOM 94 HH21 ARG A 4 3.823 -3.905 -2.687 0.00 0.00 +0.159 HD ATOM 95 HH22 ARG A 4 3.650 -3.127 -4.154 0.00 0.00 +0.159 HD ENDBRANCH 90 93 ENDBRANCH 88 90 ENDBRANCH 87 88 ENDBRANCH 86 87 ENDBRANCH 85 86 ENDBRANCH 1 85 TORSDOF 32