USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A1129 2MR HXT : A1129 2MR OXT : A1129 2MR C :(short bond) USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.0797 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.71 X(o=-1.8,f=-2.1) USER MOD Set 2.1: A 80 MET CE :methyl 157:sc= -0.167 (180deg=-0.754) USER MOD Set 2.2: A 89 CYS SG : rot 180:sc= 0.0325 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 70 THR OG1 : rot -29:sc= 0.332 USER MOD Single : A 71 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= 1.2 (180deg=1.11) USER MOD Single : A 79 CYS SG : rot -7:sc= -1.18! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.728 K(o=0.73,f=-0.21) USER MOD Single : A 103 THR OG1 : rot -170:sc= -1.37 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 111 TYR OH : rot -114:sc= 0.655 USER MOD Single : A 113 ASN : amide:sc= -1.93 X(o=-1.9,f=-2) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 13.864 -6.381 -0.014 1.00 0.00 N ATOM 2 CA ALA A 65 15.017 -6.996 -0.657 1.00 0.00 C ATOM 3 C ALA A 65 14.652 -7.431 -2.066 1.00 0.00 C ATOM 4 O ALA A 65 13.490 -7.747 -2.329 1.00 0.00 O ATOM 5 CB ALA A 65 15.488 -8.193 0.151 1.00 0.00 C ATOM 0 HA ALA A 65 15.825 -6.266 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.350 -8.646 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.768 -7.868 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.684 -8.925 0.219 1.00 0.00 H new ATOM 13 N SER A 66 15.635 -7.398 -2.968 1.00 0.00 N ATOM 14 CA SER A 66 15.529 -7.860 -4.361 1.00 0.00 C ATOM 15 C SER A 66 14.603 -6.980 -5.230 1.00 0.00 C ATOM 16 O SER A 66 15.065 -6.299 -6.151 1.00 0.00 O ATOM 17 CB SER A 66 15.095 -9.334 -4.409 1.00 0.00 C ATOM 18 OG SER A 66 15.947 -10.139 -3.595 1.00 0.00 O ATOM 0 H SER A 66 16.562 -7.036 -2.744 1.00 0.00 H new ATOM 0 HA SER A 66 16.525 -7.767 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.064 -9.426 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.122 -9.693 -5.438 1.00 0.00 H new ATOM 0 HG SER A 66 15.653 -11.073 -3.638 1.00 0.00 H new ATOM 24 N THR A 67 13.329 -6.982 -4.915 1.00 0.00 N ATOM 25 CA THR A 67 12.339 -6.275 -5.670 1.00 0.00 C ATOM 26 C THR A 67 12.383 -4.789 -5.306 1.00 0.00 C ATOM 27 O THR A 67 11.972 -4.396 -4.212 1.00 0.00 O ATOM 28 CB THR A 67 10.959 -6.842 -5.341 1.00 0.00 C ATOM 29 OG1 THR A 67 11.049 -8.287 -5.279 1.00 0.00 O ATOM 30 CG2 THR A 67 9.972 -6.463 -6.419 1.00 0.00 C ATOM 0 H THR A 67 12.952 -7.486 -4.112 1.00 0.00 H new ATOM 0 HA THR A 67 12.538 -6.390 -6.735 1.00 0.00 H new ATOM 0 HB THR A 67 10.623 -6.438 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.168 -8.661 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.992 -6.872 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.906 -5.377 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.305 -6.866 -7.375 1.00 0.00 H new ATOM 38 N GLN A 68 12.923 -3.994 -6.189 1.00 0.00 N ATOM 39 CA GLN A 68 13.078 -2.584 -5.943 1.00 0.00 C ATOM 40 C GLN A 68 11.892 -1.825 -6.544 1.00 0.00 C ATOM 41 O GLN A 68 11.667 -1.887 -7.761 1.00 0.00 O ATOM 42 CB GLN A 68 14.380 -2.086 -6.566 1.00 0.00 C ATOM 43 CG GLN A 68 15.611 -2.909 -6.200 1.00 0.00 C ATOM 44 CD GLN A 68 16.888 -2.372 -6.820 1.00 0.00 C ATOM 45 OE1 GLN A 68 16.991 -1.073 -6.942 1.00 0.00 O flip ATOM 46 NE2 GLN A 68 17.800 -3.135 -7.155 1.00 0.00 N flip ATOM 0 H GLN A 68 13.268 -4.303 -7.098 1.00 0.00 H new ATOM 0 HA GLN A 68 13.111 -2.410 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.271 -2.081 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.544 -1.053 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.720 -2.928 -5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.462 -3.939 -6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.687 -4.143 -7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.666 -2.757 -7.540 1.00 0.00 H new ATOM 55 N PRO A 69 11.115 -1.120 -5.719 1.00 0.00 N ATOM 56 CA PRO A 69 9.952 -0.357 -6.182 1.00 0.00 C ATOM 57 C PRO A 69 10.364 0.923 -6.922 1.00 0.00 C ATOM 58 O PRO A 69 11.411 1.512 -6.635 1.00 0.00 O ATOM 59 CB PRO A 69 9.231 -0.006 -4.884 1.00 0.00 C ATOM 60 CG PRO A 69 10.318 0.058 -3.867 1.00 0.00 C ATOM 61 CD PRO A 69 11.303 -1.001 -4.257 1.00 0.00 C ATOM 0 HA PRO A 69 9.343 -0.919 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.705 0.945 -4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.487 -0.760 -4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.786 1.042 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.928 -0.121 -2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.324 -0.713 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.103 -1.944 -3.748 1.00 0.00 H new ATOM 69 N THR A 70 9.547 1.350 -7.859 1.00 0.00 N ATOM 70 CA THR A 70 9.852 2.542 -8.631 1.00 0.00 C ATOM 71 C THR A 70 9.197 3.786 -7.994 1.00 0.00 C ATOM 72 O THR A 70 9.355 4.912 -8.476 1.00 0.00 O ATOM 73 CB THR A 70 9.417 2.366 -10.130 1.00 0.00 C ATOM 74 OG1 THR A 70 9.812 3.495 -10.937 1.00 0.00 O ATOM 75 CG2 THR A 70 7.915 2.169 -10.248 1.00 0.00 C ATOM 0 H THR A 70 8.669 0.894 -8.107 1.00 0.00 H new ATOM 0 HA THR A 70 10.932 2.692 -8.619 1.00 0.00 H new ATOM 0 HB THR A 70 9.926 1.476 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.833 4.302 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.645 2.050 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.620 1.278 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.401 3.038 -9.837 1.00 0.00 H new ATOM 83 N HIS A 71 8.501 3.581 -6.896 1.00 0.00 N ATOM 84 CA HIS A 71 7.825 4.659 -6.211 1.00 0.00 C ATOM 85 C HIS A 71 8.459 4.848 -4.845 1.00 0.00 C ATOM 86 O HIS A 71 8.633 3.875 -4.107 1.00 0.00 O ATOM 87 CB HIS A 71 6.321 4.356 -6.035 1.00 0.00 C ATOM 88 CG HIS A 71 5.540 4.142 -7.306 1.00 0.00 C ATOM 89 ND1 HIS A 71 4.866 5.136 -7.977 1.00 0.00 N ATOM 90 CD2 HIS A 71 5.318 3.008 -8.009 1.00 0.00 C ATOM 91 CE1 HIS A 71 4.273 4.594 -9.039 1.00 0.00 C ATOM 92 NE2 HIS A 71 4.514 3.298 -9.108 1.00 0.00 N ATOM 0 H HIS A 71 8.389 2.668 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 71 7.923 5.565 -6.809 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.220 3.465 -5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 71 5.866 5.180 -5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.704 2.031 -7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.674 5.143 -9.750 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.181 2.646 -9.818 1.00 0.00 H new ATOM 100 N SER A 72 8.827 6.061 -4.529 1.00 0.00 N ATOM 101 CA SER A 72 9.398 6.368 -3.244 1.00 0.00 C ATOM 102 C SER A 72 8.291 6.774 -2.286 1.00 0.00 C ATOM 103 O SER A 72 7.473 7.654 -2.600 1.00 0.00 O ATOM 104 CB SER A 72 10.455 7.467 -3.379 1.00 0.00 C ATOM 105 OG SER A 72 11.506 7.042 -4.245 1.00 0.00 O ATOM 0 H SER A 72 8.740 6.863 -5.153 1.00 0.00 H new ATOM 0 HA SER A 72 9.896 5.485 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.997 8.375 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.861 7.713 -2.398 1.00 0.00 H new ATOM 0 HG SER A 72 12.174 7.755 -4.323 1.00 0.00 H new ATOM 111 N TRP A 73 8.232 6.126 -1.151 1.00 0.00 N ATOM 112 CA TRP A 73 7.184 6.362 -0.200 1.00 0.00 C ATOM 113 C TRP A 73 7.730 6.805 1.134 1.00 0.00 C ATOM 114 O TRP A 73 8.875 6.486 1.480 1.00 0.00 O ATOM 115 CB TRP A 73 6.342 5.116 -0.033 1.00 0.00 C ATOM 116 CG TRP A 73 5.640 4.719 -1.287 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.917 3.649 -2.072 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.567 5.421 -1.922 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.058 3.612 -3.136 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.224 4.697 -3.072 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.855 6.588 -1.619 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.205 5.097 -3.923 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.846 6.985 -2.467 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.529 6.240 -3.605 1.00 0.00 C ATOM 0 H TRP A 73 8.910 5.421 -0.863 1.00 0.00 H new ATOM 0 HA TRP A 73 6.561 7.169 -0.586 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.978 4.295 0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.605 5.284 0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.701 2.931 -1.885 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.041 2.893 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.093 7.165 -0.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.955 4.526 -4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.291 7.886 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.730 6.576 -4.249 1.00 0.00 H new ATOM 135 N LYS A 74 6.933 7.573 1.854 1.00 0.00 N ATOM 136 CA LYS A 74 7.279 8.022 3.176 1.00 0.00 C ATOM 137 C LYS A 74 6.103 7.780 4.119 1.00 0.00 C ATOM 138 O LYS A 74 4.967 7.570 3.666 1.00 0.00 O ATOM 139 CB LYS A 74 7.640 9.508 3.203 1.00 0.00 C ATOM 140 CG LYS A 74 6.500 10.434 2.798 1.00 0.00 C ATOM 141 CD LYS A 74 6.793 11.879 3.150 1.00 0.00 C ATOM 142 CE LYS A 74 6.843 12.085 4.660 1.00 0.00 C ATOM 143 NZ LYS A 74 7.012 13.498 5.019 1.00 0.00 N ATOM 0 H LYS A 74 6.023 7.901 1.529 1.00 0.00 H new ATOM 0 HA LYS A 74 8.154 7.456 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.969 9.773 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.485 9.677 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.328 10.350 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.582 10.118 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.744 12.177 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.026 12.523 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.925 11.705 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.666 11.504 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.041 13.592 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.901 13.855 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.214 14.049 4.643 1.00 0.00 H new ATOM 157 N VAL A 75 6.379 7.765 5.405 1.00 0.00 N ATOM 158 CA VAL A 75 5.352 7.625 6.423 1.00 0.00 C ATOM 159 C VAL A 75 4.405 8.827 6.378 1.00 0.00 C ATOM 160 O VAL A 75 4.853 9.986 6.413 1.00 0.00 O ATOM 161 CB VAL A 75 5.977 7.495 7.846 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.900 7.406 8.921 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.883 6.278 7.919 1.00 0.00 C ATOM 0 H VAL A 75 7.324 7.850 5.779 1.00 0.00 H new ATOM 0 HA VAL A 75 4.793 6.713 6.215 1.00 0.00 H new ATOM 0 HB VAL A 75 6.568 8.392 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.370 7.316 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.285 8.305 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.274 6.533 8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.311 6.202 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.304 5.380 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.685 6.377 7.188 1.00 0.00 H new ATOM 173 N GLY A 76 3.120 8.557 6.306 1.00 0.00 N ATOM 174 CA GLY A 76 2.143 9.613 6.255 1.00 0.00 C ATOM 175 C GLY A 76 1.825 10.036 4.842 1.00 0.00 C ATOM 176 O GLY A 76 1.329 11.146 4.613 1.00 0.00 O ATOM 0 H GLY A 76 2.731 7.614 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.228 9.282 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.512 10.473 6.814 1.00 0.00 H new ATOM 180 N ASP A 77 2.122 9.188 3.888 1.00 0.00 N ATOM 181 CA ASP A 77 1.824 9.502 2.503 1.00 0.00 C ATOM 182 C ASP A 77 0.588 8.793 2.110 1.00 0.00 C ATOM 183 O ASP A 77 0.248 7.743 2.684 1.00 0.00 O ATOM 184 CB ASP A 77 2.909 9.032 1.572 1.00 0.00 C ATOM 185 CG ASP A 77 3.252 10.053 0.480 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.357 10.824 0.054 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.427 10.094 0.014 1.00 0.00 O ATOM 0 H ASP A 77 2.566 8.282 4.038 1.00 0.00 H new ATOM 0 HA ASP A 77 1.727 10.585 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.806 8.814 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.597 8.099 1.103 1.00 0.00 H new ATOM 192 N LYS A 78 -0.065 9.319 1.144 1.00 0.00 N ATOM 193 CA LYS A 78 -1.227 8.717 0.629 1.00 0.00 C ATOM 194 C LYS A 78 -0.833 7.857 -0.543 1.00 0.00 C ATOM 195 O LYS A 78 -0.135 8.309 -1.450 1.00 0.00 O ATOM 196 CB LYS A 78 -2.227 9.785 0.183 1.00 0.00 C ATOM 197 CG LYS A 78 -2.921 10.555 1.298 1.00 0.00 C ATOM 198 CD LYS A 78 -3.982 9.702 1.973 1.00 0.00 C ATOM 199 CE LYS A 78 -4.823 10.521 2.935 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.987 9.756 3.421 1.00 0.00 N ATOM 0 H LYS A 78 0.198 10.191 0.685 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.702 8.109 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.706 10.499 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.990 9.307 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.185 10.876 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.379 11.456 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.626 9.253 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.504 8.883 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.211 10.831 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.165 11.429 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.770 10.409 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.286 9.078 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.727 9.242 4.287 1.00 0.00 H new ATOM 214 N CYS A 79 -1.277 6.662 -0.532 1.00 0.00 N ATOM 215 CA CYS A 79 -1.012 5.748 -1.595 1.00 0.00 C ATOM 216 C CYS A 79 -2.245 4.940 -1.875 1.00 0.00 C ATOM 217 O CYS A 79 -3.252 5.072 -1.185 1.00 0.00 O ATOM 218 CB CYS A 79 0.137 4.821 -1.209 1.00 0.00 C ATOM 219 SG CYS A 79 -0.140 3.877 0.320 1.00 0.00 S ATOM 0 H CYS A 79 -1.844 6.275 0.222 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.732 6.305 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.314 4.122 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.044 5.415 -1.096 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.234 4.287 0.891 1.00 0.00 H new ATOM 225 N MET A 80 -2.198 4.152 -2.885 1.00 0.00 N ATOM 226 CA MET A 80 -3.261 3.253 -3.161 1.00 0.00 C ATOM 227 C MET A 80 -2.715 1.875 -3.074 1.00 0.00 C ATOM 228 O MET A 80 -1.668 1.579 -3.654 1.00 0.00 O ATOM 229 CB MET A 80 -3.909 3.493 -4.524 1.00 0.00 C ATOM 230 CG MET A 80 -4.351 4.922 -4.744 1.00 0.00 C ATOM 231 SD MET A 80 -5.452 5.127 -6.153 1.00 0.00 S ATOM 232 CE MET A 80 -6.892 4.217 -5.582 1.00 0.00 C ATOM 0 H MET A 80 -1.422 4.110 -3.546 1.00 0.00 H new ATOM 0 HA MET A 80 -4.054 3.411 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.202 3.216 -5.306 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.772 2.835 -4.627 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.854 5.280 -3.846 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.470 5.548 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.778 4.568 -6.112 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.751 3.154 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.023 4.377 -4.512 1.00 0.00 H new ATOM 242 N ALA A 81 -3.390 1.054 -2.352 1.00 0.00 N ATOM 243 CA ALA A 81 -2.964 -0.280 -2.111 1.00 0.00 C ATOM 244 C ALA A 81 -3.980 -1.216 -2.669 1.00 0.00 C ATOM 245 O ALA A 81 -5.157 -0.853 -2.811 1.00 0.00 O ATOM 246 CB ALA A 81 -2.814 -0.512 -0.619 1.00 0.00 C ATOM 0 H ALA A 81 -4.273 1.295 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.000 -0.452 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.487 -1.537 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.075 0.180 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.772 -0.346 -0.127 1.00 0.00 H new ATOM 252 N VAL A 82 -3.545 -2.380 -3.027 1.00 0.00 N ATOM 253 CA VAL A 82 -4.432 -3.382 -3.522 1.00 0.00 C ATOM 254 C VAL A 82 -4.923 -4.164 -2.340 1.00 0.00 C ATOM 255 O VAL A 82 -4.132 -4.810 -1.654 1.00 0.00 O ATOM 256 CB VAL A 82 -3.732 -4.324 -4.534 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.693 -5.395 -5.050 1.00 0.00 C ATOM 258 CG2 VAL A 82 -3.171 -3.523 -5.693 1.00 0.00 C ATOM 0 H VAL A 82 -2.566 -2.663 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.257 -2.910 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.914 -4.826 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.173 -6.040 -5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.055 -5.992 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.537 -4.917 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.682 -4.196 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.981 -2.997 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.446 -2.800 -5.319 1.00 0.00 H new ATOM 268 N TRP A 83 -6.200 -4.059 -2.075 1.00 0.00 N ATOM 269 CA TRP A 83 -6.806 -4.727 -0.965 1.00 0.00 C ATOM 270 C TRP A 83 -6.777 -6.194 -1.232 1.00 0.00 C ATOM 271 O TRP A 83 -7.429 -6.671 -2.167 1.00 0.00 O ATOM 272 CB TRP A 83 -8.244 -4.260 -0.794 1.00 0.00 C ATOM 273 CG TRP A 83 -8.869 -4.650 0.506 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.240 -4.794 1.694 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.250 -4.896 0.759 1.00 0.00 C ATOM 276 NE1 TRP A 83 -9.130 -5.114 2.670 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.375 -5.184 2.128 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.388 -4.903 -0.029 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.597 -5.475 2.716 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.596 -5.195 0.561 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.683 -5.477 1.924 1.00 0.00 C ATOM 0 H TRP A 83 -6.849 -3.502 -2.631 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.261 -4.499 -0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.274 -3.174 -0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.844 -4.666 -1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.178 -4.672 1.846 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.901 -5.276 3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.329 -4.684 -1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.673 -5.692 3.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.492 -5.206 -0.042 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.648 -5.703 2.354 1.00 0.00 H new ATOM 292 N SER A 84 -6.061 -6.908 -0.409 1.00 0.00 N ATOM 293 CA SER A 84 -5.845 -8.338 -0.578 1.00 0.00 C ATOM 294 C SER A 84 -7.168 -9.130 -0.519 1.00 0.00 C ATOM 295 O SER A 84 -7.247 -10.277 -0.980 1.00 0.00 O ATOM 296 CB SER A 84 -4.839 -8.845 0.480 1.00 0.00 C ATOM 297 OG SER A 84 -4.568 -10.235 0.344 1.00 0.00 O ATOM 0 H SER A 84 -5.600 -6.518 0.413 1.00 0.00 H new ATOM 0 HA SER A 84 -5.425 -8.504 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.908 -8.285 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.234 -8.650 1.477 1.00 0.00 H new ATOM 0 HG SER A 84 -3.927 -10.512 1.031 1.00 0.00 H new ATOM 303 N GLU A 85 -8.205 -8.510 0.003 1.00 0.00 N ATOM 304 CA GLU A 85 -9.473 -9.176 0.145 1.00 0.00 C ATOM 305 C GLU A 85 -10.284 -9.132 -1.143 1.00 0.00 C ATOM 306 O GLU A 85 -10.893 -10.129 -1.537 1.00 0.00 O ATOM 307 CB GLU A 85 -10.275 -8.541 1.253 1.00 0.00 C ATOM 308 CG GLU A 85 -9.556 -8.474 2.587 1.00 0.00 C ATOM 309 CD GLU A 85 -9.110 -9.825 3.091 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.967 -10.668 3.403 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.893 -10.081 3.158 1.00 0.00 O ATOM 0 H GLU A 85 -8.190 -7.546 0.335 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.263 -10.218 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.552 -7.531 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.202 -9.100 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.686 -7.824 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.215 -8.018 3.325 1.00 0.00 H new ATOM 318 N ASP A 86 -10.282 -7.998 -1.806 1.00 0.00 N ATOM 319 CA ASP A 86 -11.149 -7.831 -2.982 1.00 0.00 C ATOM 320 C ASP A 86 -10.351 -7.791 -4.282 1.00 0.00 C ATOM 321 O ASP A 86 -10.887 -8.015 -5.359 1.00 0.00 O ATOM 322 CB ASP A 86 -11.983 -6.564 -2.825 1.00 0.00 C ATOM 323 CG ASP A 86 -13.095 -6.434 -3.831 1.00 0.00 C ATOM 324 OD1 ASP A 86 -14.097 -7.162 -3.713 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.029 -5.561 -4.692 1.00 0.00 O ATOM 0 H ASP A 86 -9.710 -7.187 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.808 -8.697 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.410 -6.544 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.328 -5.697 -2.909 1.00 0.00 H new ATOM 330 N GLY A 87 -9.067 -7.524 -4.171 1.00 0.00 N ATOM 331 CA GLY A 87 -8.196 -7.480 -5.345 1.00 0.00 C ATOM 332 C GLY A 87 -8.270 -6.165 -6.102 1.00 0.00 C ATOM 333 O GLY A 87 -7.864 -6.082 -7.260 1.00 0.00 O ATOM 0 H GLY A 87 -8.596 -7.334 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.167 -7.653 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.465 -8.294 -6.018 1.00 0.00 H new ATOM 337 N GLN A 88 -8.795 -5.148 -5.467 1.00 0.00 N ATOM 338 CA GLN A 88 -8.919 -3.837 -6.094 1.00 0.00 C ATOM 339 C GLN A 88 -8.050 -2.824 -5.395 1.00 0.00 C ATOM 340 O GLN A 88 -7.550 -3.087 -4.297 1.00 0.00 O ATOM 341 CB GLN A 88 -10.371 -3.377 -6.127 1.00 0.00 C ATOM 342 CG GLN A 88 -11.256 -4.185 -7.043 1.00 0.00 C ATOM 343 CD GLN A 88 -10.871 -4.054 -8.499 1.00 0.00 C ATOM 344 OE1 GLN A 88 -11.368 -3.178 -9.200 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.984 -4.881 -8.957 1.00 0.00 N ATOM 0 H GLN A 88 -9.148 -5.194 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.575 -3.926 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.777 -3.421 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.402 -2.333 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.209 -5.235 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.290 -3.865 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.591 -5.597 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.679 -4.815 -9.928 1.00 0.00 H new ATOM 354 N CYS A 89 -7.898 -1.669 -5.987 1.00 0.00 N ATOM 355 CA CYS A 89 -7.048 -0.644 -5.413 1.00 0.00 C ATOM 356 C CYS A 89 -7.867 0.405 -4.667 1.00 0.00 C ATOM 357 O CYS A 89 -8.924 0.858 -5.145 1.00 0.00 O ATOM 358 CB CYS A 89 -6.129 -0.019 -6.471 1.00 0.00 C ATOM 359 SG CYS A 89 -6.969 0.621 -7.933 1.00 0.00 S ATOM 0 H CYS A 89 -8.348 -1.409 -6.865 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.402 -1.123 -4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.568 0.793 -6.009 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.403 -0.768 -6.787 1.00 0.00 H new ATOM 0 HG CYS A 89 -6.093 1.124 -8.751 1.00 0.00 H new ATOM 365 N TYR A 90 -7.405 0.747 -3.481 1.00 0.00 N ATOM 366 CA TYR A 90 -8.084 1.677 -2.593 1.00 0.00 C ATOM 367 C TYR A 90 -7.058 2.606 -1.959 1.00 0.00 C ATOM 368 O TYR A 90 -5.873 2.256 -1.902 1.00 0.00 O ATOM 369 CB TYR A 90 -8.814 0.893 -1.500 1.00 0.00 C ATOM 370 CG TYR A 90 -9.909 -0.039 -2.009 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.606 -1.321 -2.433 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.229 0.363 -2.057 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.577 -2.172 -2.893 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.219 -0.488 -2.518 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.883 -1.756 -2.938 1.00 0.00 C ATOM 376 OH TYR A 90 -12.856 -2.606 -3.403 1.00 0.00 O ATOM 0 H TYR A 90 -6.533 0.382 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.806 2.266 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.084 0.305 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.255 1.600 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.581 -1.659 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.494 1.358 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.314 -3.167 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.248 -0.160 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.726 -2.157 -3.368 1.00 0.00 H new ATOM 386 N GLU A 91 -7.492 3.769 -1.502 1.00 0.00 N ATOM 387 CA GLU A 91 -6.594 4.729 -0.878 1.00 0.00 C ATOM 388 C GLU A 91 -6.213 4.260 0.513 1.00 0.00 C ATOM 389 O GLU A 91 -7.073 3.905 1.336 1.00 0.00 O ATOM 390 CB GLU A 91 -7.211 6.131 -0.780 1.00 0.00 C ATOM 391 CG GLU A 91 -6.253 7.161 -0.174 1.00 0.00 C ATOM 392 CD GLU A 91 -6.904 8.468 0.177 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.090 9.319 -0.697 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.223 8.677 1.358 1.00 0.00 O ATOM 0 H GLU A 91 -8.464 4.073 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.711 4.793 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.510 6.461 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.116 6.083 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.802 6.739 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.443 7.348 -0.879 1.00 0.00 H new ATOM 401 N ALA A 92 -4.953 4.274 0.771 1.00 0.00 N ATOM 402 CA ALA A 92 -4.420 3.877 2.021 1.00 0.00 C ATOM 403 C ALA A 92 -3.281 4.793 2.392 1.00 0.00 C ATOM 404 O ALA A 92 -2.566 5.288 1.521 1.00 0.00 O ATOM 405 CB ALA A 92 -3.935 2.456 1.932 1.00 0.00 C ATOM 0 H ALA A 92 -4.247 4.571 0.098 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.192 3.940 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.525 2.151 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.767 1.803 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.161 2.383 1.168 1.00 0.00 H new ATOM 411 N GLU A 93 -3.116 5.040 3.643 1.00 0.00 N ATOM 412 CA GLU A 93 -2.047 5.873 4.093 1.00 0.00 C ATOM 413 C GLU A 93 -0.995 5.011 4.754 1.00 0.00 C ATOM 414 O GLU A 93 -1.317 4.056 5.475 1.00 0.00 O ATOM 415 CB GLU A 93 -2.553 6.954 5.034 1.00 0.00 C ATOM 416 CG GLU A 93 -1.481 7.921 5.509 1.00 0.00 C ATOM 417 CD GLU A 93 -2.037 8.953 6.436 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.189 8.659 7.647 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.351 10.066 5.990 1.00 0.00 O ATOM 0 H GLU A 93 -3.713 4.674 4.385 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.602 6.383 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.338 7.519 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.008 6.479 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.690 7.367 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.027 8.412 4.648 1.00 0.00 H new ATOM 426 N ILE A 94 0.231 5.306 4.453 1.00 0.00 N ATOM 427 CA ILE A 94 1.370 4.569 4.966 1.00 0.00 C ATOM 428 C ILE A 94 1.665 4.918 6.418 1.00 0.00 C ATOM 429 O ILE A 94 1.923 6.077 6.758 1.00 0.00 O ATOM 430 CB ILE A 94 2.611 4.839 4.117 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.289 4.512 2.670 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.780 3.993 4.619 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.312 4.975 1.690 1.00 0.00 C ATOM 0 H ILE A 94 0.485 6.076 3.835 1.00 0.00 H new ATOM 0 HA ILE A 94 1.114 3.511 4.915 1.00 0.00 H new ATOM 0 HB ILE A 94 2.898 5.888 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.172 3.433 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.329 4.961 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.661 4.191 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.993 4.247 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.521 2.937 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.001 4.700 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.414 6.058 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.270 4.506 1.915 1.00 0.00 H new ATOM 445 N GLU A 95 1.656 3.904 7.233 1.00 0.00 N ATOM 446 CA GLU A 95 1.890 4.007 8.657 1.00 0.00 C ATOM 447 C GLU A 95 3.357 3.748 8.985 1.00 0.00 C ATOM 448 O GLU A 95 3.924 4.360 9.888 1.00 0.00 O ATOM 449 CB GLU A 95 1.036 2.969 9.359 1.00 0.00 C ATOM 450 CG GLU A 95 -0.451 3.198 9.216 1.00 0.00 C ATOM 451 CD GLU A 95 -0.945 4.310 10.094 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.229 4.046 11.287 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.055 5.459 9.637 1.00 0.00 O ATOM 0 H GLU A 95 1.481 2.949 6.922 1.00 0.00 H new ATOM 0 HA GLU A 95 1.633 5.013 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.281 1.984 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.292 2.959 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.682 3.430 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.983 2.279 9.464 1.00 0.00 H new ATOM 460 N GLU A 96 3.965 2.846 8.247 1.00 0.00 N ATOM 461 CA GLU A 96 5.343 2.456 8.492 1.00 0.00 C ATOM 462 C GLU A 96 5.912 1.826 7.238 1.00 0.00 C ATOM 463 O GLU A 96 5.172 1.228 6.454 1.00 0.00 O ATOM 464 CB GLU A 96 5.396 1.451 9.654 1.00 0.00 C ATOM 465 CG GLU A 96 6.790 1.011 10.056 1.00 0.00 C ATOM 466 CD GLU A 96 6.773 -0.066 11.101 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.716 0.252 12.302 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.847 -1.260 10.742 1.00 0.00 O ATOM 0 H GLU A 96 3.525 2.363 7.464 1.00 0.00 H new ATOM 0 HA GLU A 96 5.933 3.334 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.907 1.895 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.818 0.569 9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.322 0.650 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.344 1.870 10.433 1.00 0.00 H new ATOM 475 N ILE A 97 7.197 1.984 7.044 1.00 0.00 N ATOM 476 CA ILE A 97 7.891 1.436 5.906 1.00 0.00 C ATOM 477 C ILE A 97 9.010 0.550 6.392 1.00 0.00 C ATOM 478 O ILE A 97 9.860 0.980 7.176 1.00 0.00 O ATOM 479 CB ILE A 97 8.492 2.568 5.049 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.395 3.477 4.549 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.289 2.012 3.863 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.872 4.843 4.264 1.00 0.00 C ATOM 0 H ILE A 97 7.799 2.505 7.682 1.00 0.00 H new ATOM 0 HA ILE A 97 7.186 0.865 5.303 1.00 0.00 H new ATOM 0 HB ILE A 97 9.177 3.136 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.961 3.052 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.599 3.522 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.698 2.838 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.104 1.389 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.632 1.413 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.041 5.452 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.280 5.283 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.648 4.805 3.499 1.00 0.00 H new ATOM 494 N ASP A 98 8.989 -0.656 5.948 1.00 0.00 N ATOM 495 CA ASP A 98 10.013 -1.617 6.229 1.00 0.00 C ATOM 496 C ASP A 98 10.892 -1.651 5.019 1.00 0.00 C ATOM 497 O ASP A 98 10.559 -2.276 4.012 1.00 0.00 O ATOM 498 CB ASP A 98 9.405 -2.994 6.463 1.00 0.00 C ATOM 499 CG ASP A 98 10.435 -4.022 6.848 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.187 -4.478 5.983 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.481 -4.413 8.028 1.00 0.00 O ATOM 0 H ASP A 98 8.239 -1.019 5.360 1.00 0.00 H new ATOM 0 HA ASP A 98 10.568 -1.347 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.653 -2.926 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.892 -3.320 5.558 1.00 0.00 H new ATOM 506 N GLU A 99 11.960 -0.912 5.075 1.00 0.00 N ATOM 507 CA GLU A 99 12.869 -0.787 3.955 1.00 0.00 C ATOM 508 C GLU A 99 13.566 -2.103 3.639 1.00 0.00 C ATOM 509 O GLU A 99 13.986 -2.335 2.509 1.00 0.00 O ATOM 510 CB GLU A 99 13.897 0.293 4.218 1.00 0.00 C ATOM 511 CG GLU A 99 13.295 1.651 4.535 1.00 0.00 C ATOM 512 CD GLU A 99 14.342 2.697 4.781 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.981 2.675 5.846 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.566 3.551 3.890 1.00 0.00 O ATOM 0 H GLU A 99 12.234 -0.374 5.897 1.00 0.00 H new ATOM 0 HA GLU A 99 12.272 -0.508 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.530 -0.016 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.542 0.387 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.658 1.965 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.656 1.566 5.414 1.00 0.00 H new ATOM 521 N GLU A 100 13.645 -2.970 4.625 1.00 0.00 N ATOM 522 CA GLU A 100 14.352 -4.214 4.491 1.00 0.00 C ATOM 523 C GLU A 100 13.623 -5.149 3.521 1.00 0.00 C ATOM 524 O GLU A 100 14.234 -5.792 2.663 1.00 0.00 O ATOM 525 CB GLU A 100 14.494 -4.862 5.857 1.00 0.00 C ATOM 526 CG GLU A 100 15.576 -5.923 5.904 1.00 0.00 C ATOM 527 CD GLU A 100 16.930 -5.375 5.510 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.636 -4.840 6.370 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.314 -5.479 4.321 1.00 0.00 O ATOM 0 H GLU A 100 13.219 -2.827 5.541 1.00 0.00 H new ATOM 0 HA GLU A 100 15.344 -4.019 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.716 -4.092 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.542 -5.310 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.632 -6.338 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.309 -6.742 5.236 1.00 0.00 H new ATOM 536 N ASN A 101 12.330 -5.201 3.634 1.00 0.00 N ATOM 537 CA ASN A 101 11.534 -6.015 2.732 1.00 0.00 C ATOM 538 C ASN A 101 11.002 -5.177 1.607 1.00 0.00 C ATOM 539 O ASN A 101 10.584 -5.699 0.568 1.00 0.00 O ATOM 540 CB ASN A 101 10.364 -6.652 3.463 1.00 0.00 C ATOM 541 CG ASN A 101 10.775 -7.619 4.543 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.936 -8.819 4.298 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.965 -7.115 5.727 1.00 0.00 N ATOM 0 H ASN A 101 11.793 -4.694 4.338 1.00 0.00 H new ATOM 0 HA ASN A 101 12.180 -6.799 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.753 -5.866 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.737 -7.174 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.258 -7.717 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.821 -6.118 5.886 1.00 0.00 H new ATOM 550 N GLY A 102 11.079 -3.876 1.782 1.00 0.00 N ATOM 551 CA GLY A 102 10.519 -2.965 0.824 1.00 0.00 C ATOM 552 C GLY A 102 9.014 -2.957 0.947 1.00 0.00 C ATOM 553 O GLY A 102 8.292 -2.799 -0.046 1.00 0.00 O ATOM 0 H GLY A 102 11.526 -3.430 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.912 -1.962 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.809 -3.259 -0.185 1.00 0.00 H new ATOM 557 N THR A 103 8.539 -3.145 2.155 1.00 0.00 N ATOM 558 CA THR A 103 7.137 -3.230 2.413 1.00 0.00 C ATOM 559 C THR A 103 6.646 -2.065 3.250 1.00 0.00 C ATOM 560 O THR A 103 7.420 -1.395 3.921 1.00 0.00 O ATOM 561 CB THR A 103 6.819 -4.564 3.090 1.00 0.00 C ATOM 562 OG1 THR A 103 7.784 -4.795 4.129 1.00 0.00 O ATOM 563 CG2 THR A 103 6.866 -5.708 2.085 1.00 0.00 C ATOM 0 H THR A 103 9.124 -3.243 2.985 1.00 0.00 H new ATOM 0 HA THR A 103 6.610 -3.178 1.460 1.00 0.00 H new ATOM 0 HB THR A 103 5.814 -4.520 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.691 -5.711 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.636 -6.646 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.133 -5.531 1.298 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.862 -5.766 1.647 1.00 0.00 H new ATOM 571 N ALA A 104 5.376 -1.799 3.173 1.00 0.00 N ATOM 572 CA ALA A 104 4.791 -0.741 3.922 1.00 0.00 C ATOM 573 C ALA A 104 3.534 -1.210 4.584 1.00 0.00 C ATOM 574 O ALA A 104 2.744 -1.965 4.002 1.00 0.00 O ATOM 575 CB ALA A 104 4.488 0.442 3.031 1.00 0.00 C ATOM 0 H ALA A 104 4.720 -2.314 2.586 1.00 0.00 H new ATOM 0 HA ALA A 104 5.504 -0.430 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.041 1.240 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.411 0.801 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.793 0.139 2.248 1.00 0.00 H new ATOM 581 N ALA A 105 3.371 -0.807 5.793 1.00 0.00 N ATOM 582 CA ALA A 105 2.184 -1.067 6.522 1.00 0.00 C ATOM 583 C ALA A 105 1.259 0.080 6.246 1.00 0.00 C ATOM 584 O ALA A 105 1.604 1.247 6.498 1.00 0.00 O ATOM 585 CB ALA A 105 2.495 -1.175 7.986 1.00 0.00 C ATOM 0 H ALA A 105 4.072 -0.278 6.312 1.00 0.00 H new ATOM 0 HA ALA A 105 1.724 -2.009 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.577 -1.375 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.201 -1.989 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.933 -0.240 8.335 1.00 0.00 H new ATOM 591 N ILE A 106 0.125 -0.215 5.714 1.00 0.00 N ATOM 592 CA ILE A 106 -0.768 0.805 5.255 1.00 0.00 C ATOM 593 C ILE A 106 -2.125 0.653 5.890 1.00 0.00 C ATOM 594 O ILE A 106 -2.532 -0.447 6.240 1.00 0.00 O ATOM 595 CB ILE A 106 -0.893 0.759 3.696 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.400 -0.614 3.209 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.410 1.121 3.015 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.868 -0.638 2.928 1.00 0.00 C ATOM 0 H ILE A 106 -0.215 -1.168 5.582 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.358 1.772 5.546 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.632 1.510 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.860 -0.893 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.169 -1.367 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.280 1.077 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.704 2.130 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.186 0.417 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.157 -1.633 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.416 -0.390 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.102 0.091 2.152 1.00 0.00 H new ATOM 610 N THR A 107 -2.797 1.745 6.068 1.00 0.00 N ATOM 611 CA THR A 107 -4.124 1.744 6.597 1.00 0.00 C ATOM 612 C THR A 107 -5.086 2.321 5.567 1.00 0.00 C ATOM 613 O THR A 107 -4.853 3.395 5.025 1.00 0.00 O ATOM 614 CB THR A 107 -4.179 2.521 7.921 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.305 1.872 8.857 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.588 2.551 8.497 1.00 0.00 C ATOM 0 H THR A 107 -2.436 2.673 5.848 1.00 0.00 H new ATOM 0 HA THR A 107 -4.427 0.719 6.811 1.00 0.00 H new ATOM 0 HB THR A 107 -3.871 3.550 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.324 2.354 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.587 3.109 9.433 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.261 3.033 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.927 1.532 8.683 1.00 0.00 H new ATOM 624 N PHE A 108 -6.127 1.574 5.276 1.00 0.00 N ATOM 625 CA PHE A 108 -7.115 1.956 4.301 1.00 0.00 C ATOM 626 C PHE A 108 -7.974 3.067 4.818 1.00 0.00 C ATOM 627 O PHE A 108 -8.728 2.894 5.796 1.00 0.00 O ATOM 628 CB PHE A 108 -7.960 0.766 3.880 1.00 0.00 C ATOM 629 CG PHE A 108 -7.199 -0.238 3.078 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.896 0.036 1.759 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.800 -1.452 3.624 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.211 -0.865 0.986 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.106 -2.366 2.855 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.809 -2.072 1.530 1.00 0.00 C ATOM 0 H PHE A 108 -6.311 0.673 5.717 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.589 2.319 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.363 0.282 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.810 1.120 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.204 0.977 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.033 -1.682 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.986 -0.634 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.795 -3.307 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.266 -2.784 0.926 1.00 0.00 H new ATOM 644 N ALA A 109 -7.887 4.177 4.143 1.00 0.00 N ATOM 645 CA ALA A 109 -8.533 5.389 4.545 1.00 0.00 C ATOM 646 C ALA A 109 -10.039 5.306 4.371 1.00 0.00 C ATOM 647 O ALA A 109 -10.542 4.974 3.283 1.00 0.00 O ATOM 648 CB ALA A 109 -7.963 6.552 3.769 1.00 0.00 C ATOM 0 H ALA A 109 -7.352 4.264 3.279 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.343 5.542 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.458 7.473 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.894 6.631 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.126 6.393 2.703 1.00 0.00 H new ATOM 654 N GLY A 110 -10.751 5.560 5.439 1.00 0.00 N ATOM 655 CA GLY A 110 -12.185 5.554 5.398 1.00 0.00 C ATOM 656 C GLY A 110 -12.767 4.265 5.919 1.00 0.00 C ATOM 657 O GLY A 110 -13.771 4.272 6.634 1.00 0.00 O ATOM 0 H GLY A 110 -10.354 5.775 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.567 6.387 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.518 5.712 4.372 1.00 0.00 H new ATOM 661 N TYR A 111 -12.160 3.159 5.553 1.00 0.00 N ATOM 662 CA TYR A 111 -12.615 1.868 5.983 1.00 0.00 C ATOM 663 C TYR A 111 -12.016 1.512 7.339 1.00 0.00 C ATOM 664 O TYR A 111 -12.730 1.077 8.246 1.00 0.00 O ATOM 665 CB TYR A 111 -12.209 0.834 4.977 1.00 0.00 C ATOM 666 CG TYR A 111 -12.598 1.147 3.556 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.873 0.881 3.083 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.664 1.662 2.673 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.204 1.121 1.765 1.00 0.00 C ATOM 670 CE2 TYR A 111 -11.984 1.912 1.364 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.253 1.638 0.911 1.00 0.00 C ATOM 672 OH TYR A 111 -13.576 1.881 -0.403 1.00 0.00 O ATOM 0 H TYR A 111 -11.338 3.135 4.949 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.701 1.894 6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.127 0.708 5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.654 -0.121 5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.618 0.480 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.664 1.871 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.199 0.906 1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.244 2.322 0.692 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.062 1.281 -0.983 1.00 0.00 H new ATOM 682 N GLY A 112 -10.710 1.674 7.473 1.00 0.00 N ATOM 683 CA GLY A 112 -10.076 1.404 8.744 1.00 0.00 C ATOM 684 C GLY A 112 -9.366 0.054 8.849 1.00 0.00 C ATOM 685 O GLY A 112 -9.222 -0.478 9.948 1.00 0.00 O ATOM 0 H GLY A 112 -10.082 1.985 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.351 2.193 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.832 1.460 9.527 1.00 0.00 H new ATOM 689 N ASN A 113 -8.939 -0.523 7.739 1.00 0.00 N ATOM 690 CA ASN A 113 -8.130 -1.756 7.821 1.00 0.00 C ATOM 691 C ASN A 113 -6.697 -1.423 7.621 1.00 0.00 C ATOM 692 O ASN A 113 -6.379 -0.337 7.166 1.00 0.00 O ATOM 693 CB ASN A 113 -8.505 -2.855 6.821 1.00 0.00 C ATOM 694 CG ASN A 113 -9.762 -3.618 7.148 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.164 -3.730 8.311 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.344 -4.203 6.144 1.00 0.00 N ATOM 0 H ASN A 113 -9.123 -0.183 6.795 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.333 -2.159 8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.619 -2.404 5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.677 -3.561 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.168 -4.783 6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.977 -4.082 5.200 1.00 0.00 H new ATOM 703 N ALA A 114 -5.841 -2.349 7.914 1.00 0.00 N ATOM 704 CA ALA A 114 -4.427 -2.143 7.776 1.00 0.00 C ATOM 705 C ALA A 114 -3.768 -3.424 7.341 1.00 0.00 C ATOM 706 O ALA A 114 -4.048 -4.489 7.908 1.00 0.00 O ATOM 707 CB ALA A 114 -3.832 -1.657 9.094 1.00 0.00 C ATOM 0 H ALA A 114 -6.099 -3.274 8.257 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.250 -1.380 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.759 -1.505 8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.302 -0.716 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.009 -2.402 9.870 1.00 0.00 H new ATOM 713 N GLU A 115 -2.913 -3.338 6.353 1.00 0.00 N ATOM 714 CA GLU A 115 -2.222 -4.495 5.869 1.00 0.00 C ATOM 715 C GLU A 115 -0.804 -4.110 5.485 1.00 0.00 C ATOM 716 O GLU A 115 -0.513 -2.924 5.286 1.00 0.00 O ATOM 717 CB GLU A 115 -2.961 -5.174 4.683 1.00 0.00 C ATOM 718 CG GLU A 115 -2.865 -4.518 3.320 1.00 0.00 C ATOM 719 CD GLU A 115 -3.338 -5.485 2.244 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.566 -6.411 1.886 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.484 -5.398 1.790 1.00 0.00 O ATOM 0 H GLU A 115 -2.681 -2.471 5.869 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.193 -5.233 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.583 -6.192 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.016 -5.249 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.471 -3.613 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.836 -4.217 3.124 1.00 0.00 H new ATOM 728 N VAL A 116 0.072 -5.076 5.416 1.00 0.00 N ATOM 729 CA VAL A 116 1.438 -4.831 5.015 1.00 0.00 C ATOM 730 C VAL A 116 1.579 -5.231 3.562 1.00 0.00 C ATOM 731 O VAL A 116 1.437 -6.406 3.217 1.00 0.00 O ATOM 732 CB VAL A 116 2.461 -5.619 5.880 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.891 -5.288 5.469 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.255 -5.328 7.359 1.00 0.00 C ATOM 0 H VAL A 116 -0.136 -6.051 5.634 1.00 0.00 H new ATOM 0 HA VAL A 116 1.657 -3.773 5.157 1.00 0.00 H new ATOM 0 HB VAL A 116 2.293 -6.683 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.588 -5.852 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.040 -5.554 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.070 -4.221 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.982 -5.890 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.388 -4.262 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.247 -5.623 7.651 1.00 0.00 H new ATOM 744 N THR A 117 1.818 -4.281 2.728 1.00 0.00 N ATOM 745 CA THR A 117 1.902 -4.522 1.315 1.00 0.00 C ATOM 746 C THR A 117 3.195 -3.881 0.776 1.00 0.00 C ATOM 747 O THR A 117 3.625 -2.841 1.284 1.00 0.00 O ATOM 748 CB THR A 117 0.618 -4.005 0.560 1.00 0.00 C ATOM 749 OG1 THR A 117 0.563 -4.520 -0.781 1.00 0.00 O ATOM 750 CG2 THR A 117 0.573 -2.489 0.516 1.00 0.00 C ATOM 0 H THR A 117 1.963 -3.308 2.999 1.00 0.00 H new ATOM 0 HA THR A 117 1.942 -5.596 1.132 1.00 0.00 H new ATOM 0 HB THR A 117 -0.245 -4.367 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.243 -4.186 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.325 -2.167 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.557 -2.096 1.532 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.454 -2.114 -0.005 1.00 0.00 H new ATOM 758 N PRO A 118 3.891 -4.542 -0.161 1.00 0.00 N ATOM 759 CA PRO A 118 5.130 -4.028 -0.727 1.00 0.00 C ATOM 760 C PRO A 118 4.942 -2.684 -1.413 1.00 0.00 C ATOM 761 O PRO A 118 3.882 -2.413 -1.986 1.00 0.00 O ATOM 762 CB PRO A 118 5.542 -5.089 -1.743 1.00 0.00 C ATOM 763 CG PRO A 118 4.305 -5.837 -2.031 1.00 0.00 C ATOM 764 CD PRO A 118 3.515 -5.820 -0.764 1.00 0.00 C ATOM 0 HA PRO A 118 5.878 -3.853 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.949 -4.634 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.315 -5.743 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.748 -5.373 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.528 -6.858 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.443 -5.877 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.768 -6.661 -0.119 1.00 0.00 H new ATOM 772 N LEU A 119 5.978 -1.862 -1.364 1.00 0.00 N ATOM 773 CA LEU A 119 5.995 -0.529 -1.985 1.00 0.00 C ATOM 774 C LEU A 119 5.703 -0.614 -3.476 1.00 0.00 C ATOM 775 O LEU A 119 5.199 0.331 -4.076 1.00 0.00 O ATOM 776 CB LEU A 119 7.353 0.137 -1.772 1.00 0.00 C ATOM 777 CG LEU A 119 7.806 0.339 -0.326 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.181 0.985 -0.276 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.805 1.163 0.455 1.00 0.00 C ATOM 0 H LEU A 119 6.848 -2.097 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 119 5.217 0.068 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.108 -0.461 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.333 1.111 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 119 7.868 -0.644 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.483 1.119 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.902 0.345 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.145 1.955 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.157 1.288 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.695 2.141 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.841 0.654 0.462 1.00 0.00 H new ATOM 791 N LEU A 120 6.030 -1.757 -4.059 1.00 0.00 N ATOM 792 CA LEU A 120 5.780 -2.023 -5.464 1.00 0.00 C ATOM 793 C LEU A 120 4.272 -2.022 -5.741 1.00 0.00 C ATOM 794 O LEU A 120 3.825 -1.601 -6.801 1.00 0.00 O ATOM 795 CB LEU A 120 6.428 -3.374 -5.866 1.00 0.00 C ATOM 796 CG LEU A 120 5.688 -4.666 -5.463 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.727 -5.078 -6.557 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.657 -5.780 -5.154 1.00 0.00 C ATOM 0 H LEU A 120 6.479 -2.529 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 120 6.231 -1.236 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.549 -3.380 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.428 -3.410 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 120 5.120 -4.464 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.210 -5.991 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.998 -4.284 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.280 -5.256 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.104 -6.676 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.264 -5.989 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.305 -5.481 -4.330 1.00 0.00 H new ATOM 810 N ASN A 121 3.502 -2.462 -4.755 1.00 0.00 N ATOM 811 CA ASN A 121 2.050 -2.578 -4.867 1.00 0.00 C ATOM 812 C ASN A 121 1.380 -1.241 -4.672 1.00 0.00 C ATOM 813 O ASN A 121 0.212 -1.068 -5.032 1.00 0.00 O ATOM 814 CB ASN A 121 1.471 -3.583 -3.841 1.00 0.00 C ATOM 815 CG ASN A 121 1.513 -5.043 -4.245 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.564 -5.393 -5.428 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.387 -5.902 -3.267 1.00 0.00 N ATOM 0 H ASN A 121 3.868 -2.751 -3.848 1.00 0.00 H new ATOM 0 HA ASN A 121 1.846 -2.945 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.016 -3.470 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.434 -3.311 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.327 -6.900 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.349 -5.574 -2.302 1.00 0.00 H new ATOM 824 N LEU A 122 2.112 -0.302 -4.127 1.00 0.00 N ATOM 825 CA LEU A 122 1.579 0.996 -3.817 1.00 0.00 C ATOM 826 C LEU A 122 1.590 1.911 -5.023 1.00 0.00 C ATOM 827 O LEU A 122 2.591 2.011 -5.746 1.00 0.00 O ATOM 828 CB LEU A 122 2.344 1.626 -2.658 1.00 0.00 C ATOM 829 CG LEU A 122 2.264 0.906 -1.321 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.033 1.682 -0.269 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.817 0.721 -0.898 1.00 0.00 C ATOM 0 H LEU A 122 3.096 -0.419 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 122 0.539 0.861 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.393 1.701 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.977 2.643 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 122 2.713 -0.081 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.971 1.160 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.077 1.766 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.604 2.679 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.782 0.204 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.338 1.696 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.291 0.130 -1.648 1.00 0.00 H new ATOM 843 N LYS A 123 0.471 2.547 -5.249 1.00 0.00 N ATOM 844 CA LYS A 123 0.308 3.484 -6.342 1.00 0.00 C ATOM 845 C LYS A 123 0.084 4.862 -5.767 1.00 0.00 C ATOM 846 O LYS A 123 -0.310 4.973 -4.609 1.00 0.00 O ATOM 847 CB LYS A 123 -0.915 3.138 -7.197 1.00 0.00 C ATOM 848 CG LYS A 123 -0.980 1.735 -7.726 1.00 0.00 C ATOM 849 CD LYS A 123 -2.104 1.630 -8.734 1.00 0.00 C ATOM 850 CE LYS A 123 -2.223 0.237 -9.313 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.224 0.176 -10.401 1.00 0.00 N ATOM 0 H LYS A 123 -0.365 2.432 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 123 1.204 3.441 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.811 3.322 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.947 3.825 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.032 1.466 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.143 1.033 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.045 1.905 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.935 2.344 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.253 -0.082 -9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.501 -0.462 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.276 -0.795 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -4.155 0.456 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.946 0.824 -11.166 1.00 0.00 H new ATOM 865 N PRO A 124 0.325 5.923 -6.535 1.00 0.00 N ATOM 866 CA PRO A 124 -0.009 7.272 -6.104 1.00 0.00 C ATOM 867 C PRO A 124 -1.521 7.467 -6.158 1.00 0.00 C ATOM 868 O PRO A 124 -2.210 6.830 -6.971 1.00 0.00 O ATOM 869 CB PRO A 124 0.692 8.172 -7.124 1.00 0.00 C ATOM 870 CG PRO A 124 0.874 7.328 -8.338 1.00 0.00 C ATOM 871 CD PRO A 124 0.949 5.900 -7.872 1.00 0.00 C ATOM 0 HA PRO A 124 0.302 7.488 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.093 9.055 -7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.651 8.525 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.044 7.465 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.783 7.608 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.417 5.232 -8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.980 5.550 -7.824 1.00 0.00 H new ATOM 879 N VAL A 125 -2.039 8.289 -5.291 1.00 0.00 N ATOM 880 CA VAL A 125 -3.463 8.532 -5.266 1.00 0.00 C ATOM 881 C VAL A 125 -3.865 9.452 -6.404 1.00 0.00 C ATOM 882 O VAL A 125 -3.106 10.372 -6.779 1.00 0.00 O ATOM 883 CB VAL A 125 -3.962 9.105 -3.915 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.691 8.139 -2.787 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.340 10.453 -3.612 1.00 0.00 C ATOM 0 H VAL A 125 -1.503 8.804 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.942 7.561 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 125 -5.039 9.247 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -4.050 8.564 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.208 7.199 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.619 7.955 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.715 10.821 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -2.256 10.350 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.600 11.159 -4.400 1.00 0.00 H new ATOM 895 N GLU A 126 -5.023 9.208 -6.959 1.00 0.00 N ATOM 896 CA GLU A 126 -5.495 9.994 -8.059 1.00 0.00 C ATOM 897 C GLU A 126 -6.153 11.266 -7.563 1.00 0.00 C ATOM 898 O GLU A 126 -6.703 11.310 -6.461 1.00 0.00 O ATOM 899 CB GLU A 126 -6.445 9.192 -8.939 1.00 0.00 C ATOM 900 CG GLU A 126 -5.804 7.985 -9.603 1.00 0.00 C ATOM 901 CD GLU A 126 -6.775 7.209 -10.449 1.00 0.00 C ATOM 902 OE1 GLU A 126 -6.984 7.564 -11.635 1.00 0.00 O ATOM 903 OE2 GLU A 126 -7.354 6.230 -9.960 1.00 0.00 O ATOM 0 H GLU A 126 -5.657 8.466 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.636 10.272 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.287 8.856 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.848 9.847 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -4.971 8.316 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -5.391 7.330 -8.836 1.00 0.00 H new ATOM 910 N GLU A 127 -6.077 12.293 -8.365 1.00 0.00 N ATOM 911 CA GLU A 127 -6.621 13.598 -8.029 1.00 0.00 C ATOM 912 C GLU A 127 -8.011 13.769 -8.621 1.00 0.00 C ATOM 913 O GLU A 127 -8.658 14.806 -8.458 1.00 0.00 O ATOM 914 CB GLU A 127 -5.676 14.678 -8.538 1.00 0.00 C ATOM 915 CG GLU A 127 -4.291 14.584 -7.923 1.00 0.00 C ATOM 916 CD GLU A 127 -3.310 15.540 -8.528 1.00 0.00 C ATOM 917 OE1 GLU A 127 -3.326 16.736 -8.170 1.00 0.00 O ATOM 918 OE2 GLU A 127 -2.487 15.116 -9.376 1.00 0.00 O ATOM 0 H GLU A 127 -5.632 12.256 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.713 13.684 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.593 14.601 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.100 15.658 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.362 14.776 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.917 13.567 -8.040 1.00 0.00 H new ATOM 925 N GLY A 128 -8.458 12.756 -9.292 1.00 0.00 N ATOM 926 CA GLY A 128 -9.735 12.764 -9.888 1.00 0.00 C ATOM 927 C GLY A 128 -9.773 11.717 -10.928 1.00 0.00 C ATOM 928 O GLY A 128 -9.022 10.721 -10.778 1.00 0.00 O ATOM 929 OXT GLY A 128 -10.527 11.836 -11.905 1.00 0.00 O ATOM 0 H GLY A 128 -7.932 11.894 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.504 12.581 -9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.943 13.740 -10.326 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -16.923 -4.418 -1.362 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.985 -3.436 -0.283 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.699 -3.458 0.568 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.752 -2.536 1.772 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.424 -2.489 2.491 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.365 -2.084 1.593 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.129 -1.895 1.951 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.790 -2.089 3.272 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.503 -1.956 3.980 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.261 -1.520 0.995 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.841 -1.235 1.060 1.00 0.00 C HETATM 945 C 2MR A1129 -17.149 -2.083 -0.912 1.00 0.00 C HETATM 946 O 2MR A1129 -18.149 -1.396 -0.647 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.283 -1.705 -1.704 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.667 -0.411 1.752 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.308 -2.120 1.408 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.479 -0.959 0.069 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.775 -2.639 3.543 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.141 -0.932 3.887 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.641 -2.198 5.034 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.671 -1.419 0.067 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -16.029 -1.532 1.451 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.527 -2.876 2.459 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.604 -1.937 0.612 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.483 -1.793 3.327 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.197 -3.470 2.908 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.516 -4.477 0.909 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.853 -3.175 -0.059 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.820 -3.670 0.377 1.00 0.00 H new HETATM 0 H2 2MR A1129 -17.706 -4.516 -2.008 1.00 0.00 H new HETATM 0 H 2MR A1129 -16.096 -5.006 -1.470 1.00 0.00 H new