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= -0.517 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.92 X(o=-2.4,f=-2.5!) USER MOD Set 2.1: A 80 MET CE :methyl 156:sc= -0.115 (180deg=-0.648) USER MOD Set 2.2: A 89 CYS SG : rot 180:sc= 0.00536 USER MOD Single : A 66 SER OG : rot -150:sc= -0.0528 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0.904 (180deg=0.904) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0.735 (180deg=0.349) USER MOD Single : A 79 CYS SG : rot -11:sc= -2.2! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.2) USER MOD Single : A 90 TYR OH : rot 1:sc= 0.47 USER MOD Single : A 101 ASN : amide:sc= 1.06 K(o=1.1,f=-0.28) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00336 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 111 TYR OH : rot -132:sc= 0.275 USER MOD Single : A 113 ASN : amide:sc= -2.45! K(o=-2.4!,f=-1.9) USER MOD Single : A 123 LYS NZ :NH3+ -173:sc=-0.000324 (180deg=-0.0923) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 18.891 0.537 3.052 1.00 0.00 N ATOM 2 CA ALA A 65 17.837 -0.462 2.949 1.00 0.00 C ATOM 3 C ALA A 65 18.444 -1.767 2.500 1.00 0.00 C ATOM 4 O ALA A 65 19.503 -1.765 1.858 1.00 0.00 O ATOM 5 CB ALA A 65 16.777 -0.008 1.964 1.00 0.00 C ATOM 0 HA ALA A 65 17.363 -0.595 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.995 -0.764 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.344 0.933 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.229 0.134 0.983 1.00 0.00 H new ATOM 13 N SER A 66 17.817 -2.874 2.845 1.00 0.00 N ATOM 14 CA SER A 66 18.285 -4.162 2.397 1.00 0.00 C ATOM 15 C SER A 66 18.034 -4.283 0.893 1.00 0.00 C ATOM 16 O SER A 66 18.967 -4.440 0.105 1.00 0.00 O ATOM 17 CB SER A 66 17.583 -5.257 3.183 1.00 0.00 C ATOM 18 OG SER A 66 17.717 -5.004 4.582 1.00 0.00 O ATOM 0 H SER A 66 16.984 -2.903 3.433 1.00 0.00 H new ATOM 0 HA SER A 66 19.356 -4.268 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 66 16.529 -5.296 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.012 -6.228 2.936 1.00 0.00 H new ATOM 0 HG SER A 66 17.718 -5.854 5.070 1.00 0.00 H new ATOM 24 N THR A 67 16.801 -4.139 0.499 1.00 0.00 N ATOM 25 CA THR A 67 16.479 -4.125 -0.881 1.00 0.00 C ATOM 26 C THR A 67 16.089 -2.693 -1.231 1.00 0.00 C ATOM 27 O THR A 67 15.459 -1.999 -0.421 1.00 0.00 O ATOM 28 CB THR A 67 15.347 -5.152 -1.240 1.00 0.00 C ATOM 29 OG1 THR A 67 15.148 -5.212 -2.662 1.00 0.00 O ATOM 30 CG2 THR A 67 14.025 -4.810 -0.555 1.00 0.00 C ATOM 0 H THR A 67 16.004 -4.030 1.126 1.00 0.00 H new ATOM 0 HA THR A 67 17.339 -4.440 -1.472 1.00 0.00 H new ATOM 0 HB THR A 67 15.676 -6.125 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.440 -5.858 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.271 -5.547 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.162 -4.820 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.697 -3.819 -0.870 1.00 0.00 H new ATOM 38 N GLN A 68 16.527 -2.226 -2.358 1.00 0.00 N ATOM 39 CA GLN A 68 16.234 -0.905 -2.776 1.00 0.00 C ATOM 40 C GLN A 68 15.049 -0.920 -3.732 1.00 0.00 C ATOM 41 O GLN A 68 15.118 -1.524 -4.814 1.00 0.00 O ATOM 42 CB GLN A 68 17.463 -0.271 -3.413 1.00 0.00 C ATOM 43 CG GLN A 68 17.228 1.130 -3.902 1.00 0.00 C ATOM 44 CD GLN A 68 18.490 1.795 -4.381 1.00 0.00 C ATOM 45 OE1 GLN A 68 18.865 1.694 -5.553 1.00 0.00 O ATOM 46 NE2 GLN A 68 19.148 2.478 -3.496 1.00 0.00 N ATOM 0 H GLN A 68 17.100 -2.759 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 68 15.963 -0.299 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 68 18.276 -0.263 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.789 -0.889 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.501 1.110 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.792 1.723 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.804 2.536 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.010 2.957 -3.759 1.00 0.00 H new ATOM 55 N PRO A 69 13.934 -0.328 -3.322 1.00 0.00 N ATOM 56 CA PRO A 69 12.743 -0.253 -4.141 1.00 0.00 C ATOM 57 C PRO A 69 12.789 0.926 -5.121 1.00 0.00 C ATOM 58 O PRO A 69 13.394 1.983 -4.833 1.00 0.00 O ATOM 59 CB PRO A 69 11.638 -0.042 -3.106 1.00 0.00 C ATOM 60 CG PRO A 69 12.296 0.726 -2.007 1.00 0.00 C ATOM 61 CD PRO A 69 13.736 0.305 -1.998 1.00 0.00 C ATOM 0 HA PRO A 69 12.609 -1.136 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.799 0.510 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.245 -0.993 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 69 12.206 1.799 -2.176 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.823 0.514 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.400 1.158 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.942 -0.393 -1.187 1.00 0.00 H new ATOM 69 N THR A 70 12.185 0.741 -6.273 1.00 0.00 N ATOM 70 CA THR A 70 12.071 1.793 -7.251 1.00 0.00 C ATOM 71 C THR A 70 10.966 2.753 -6.803 1.00 0.00 C ATOM 72 O THR A 70 10.981 3.937 -7.119 1.00 0.00 O ATOM 73 CB THR A 70 11.798 1.228 -8.699 1.00 0.00 C ATOM 74 OG1 THR A 70 11.681 2.291 -9.659 1.00 0.00 O ATOM 75 CG2 THR A 70 10.539 0.366 -8.751 1.00 0.00 C ATOM 0 H THR A 70 11.760 -0.142 -6.556 1.00 0.00 H new ATOM 0 HA THR A 70 13.018 2.328 -7.314 1.00 0.00 H new ATOM 0 HB THR A 70 12.656 0.604 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.514 1.913 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.391 -0.001 -9.767 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.649 -0.480 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.677 0.962 -8.452 1.00 0.00 H new ATOM 83 N HIS A 71 10.030 2.231 -6.033 1.00 0.00 N ATOM 84 CA HIS A 71 8.959 3.025 -5.495 1.00 0.00 C ATOM 85 C HIS A 71 9.417 3.693 -4.215 1.00 0.00 C ATOM 86 O HIS A 71 9.827 3.025 -3.266 1.00 0.00 O ATOM 87 CB HIS A 71 7.711 2.169 -5.248 1.00 0.00 C ATOM 88 CG HIS A 71 7.059 1.660 -6.501 1.00 0.00 C ATOM 89 ND1 HIS A 71 7.289 0.414 -7.047 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.161 2.261 -7.316 1.00 0.00 C ATOM 91 CE1 HIS A 71 6.546 0.299 -8.151 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.837 1.399 -8.362 1.00 0.00 N ATOM 0 H HIS A 71 9.997 1.247 -5.768 1.00 0.00 H new ATOM 0 HA HIS A 71 8.691 3.793 -6.220 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.984 1.319 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.985 2.757 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.758 3.254 -7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.526 -0.574 -8.787 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.189 1.577 -9.130 1.00 0.00 H new ATOM 100 N SER A 72 9.366 4.993 -4.205 1.00 0.00 N ATOM 101 CA SER A 72 9.796 5.768 -3.078 1.00 0.00 C ATOM 102 C SER A 72 8.586 6.300 -2.320 1.00 0.00 C ATOM 103 O SER A 72 7.851 7.161 -2.818 1.00 0.00 O ATOM 104 CB SER A 72 10.681 6.911 -3.556 1.00 0.00 C ATOM 105 OG SER A 72 11.800 6.410 -4.287 1.00 0.00 O ATOM 0 H SER A 72 9.021 5.550 -4.987 1.00 0.00 H new ATOM 0 HA SER A 72 10.373 5.139 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.102 7.587 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.029 7.491 -2.701 1.00 0.00 H new ATOM 0 HG SER A 72 12.356 7.159 -4.588 1.00 0.00 H new ATOM 111 N TRP A 73 8.366 5.771 -1.151 1.00 0.00 N ATOM 112 CA TRP A 73 7.245 6.140 -0.322 1.00 0.00 C ATOM 113 C TRP A 73 7.718 6.601 1.037 1.00 0.00 C ATOM 114 O TRP A 73 8.816 6.227 1.467 1.00 0.00 O ATOM 115 CB TRP A 73 6.296 4.959 -0.176 1.00 0.00 C ATOM 116 CG TRP A 73 5.634 4.563 -1.460 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.942 3.493 -2.237 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.571 5.253 -2.130 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.125 3.451 -3.337 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.277 4.519 -3.298 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.827 6.414 -1.855 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.288 4.900 -4.185 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.844 6.786 -2.742 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.585 6.026 -3.896 1.00 0.00 C ATOM 0 H TRP A 73 8.968 5.059 -0.737 1.00 0.00 H new ATOM 0 HA TRP A 73 6.715 6.965 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.848 4.106 0.217 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.529 5.208 0.558 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.720 2.777 -2.019 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.147 2.738 -4.066 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.023 6.999 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.082 4.324 -5.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.262 7.675 -2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.806 6.346 -4.572 1.00 0.00 H new ATOM 135 N LYS A 74 6.949 7.466 1.682 1.00 0.00 N ATOM 136 CA LYS A 74 7.265 7.890 3.019 1.00 0.00 C ATOM 137 C LYS A 74 6.050 7.827 3.928 1.00 0.00 C ATOM 138 O LYS A 74 4.903 7.772 3.463 1.00 0.00 O ATOM 139 CB LYS A 74 7.908 9.273 3.069 1.00 0.00 C ATOM 140 CG LYS A 74 7.105 10.395 2.446 1.00 0.00 C ATOM 141 CD LYS A 74 7.657 11.753 2.871 1.00 0.00 C ATOM 142 CE LYS A 74 7.149 12.157 4.256 1.00 0.00 C ATOM 143 NZ LYS A 74 5.714 12.521 4.221 1.00 0.00 N ATOM 0 H LYS A 74 6.103 7.883 1.293 1.00 0.00 H new ATOM 0 HA LYS A 74 8.007 7.183 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.102 9.526 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.875 9.222 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.133 10.309 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.060 10.311 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.746 11.718 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.367 12.509 2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.300 11.334 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.731 13.001 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.401 12.790 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.575 13.322 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.157 11.707 3.890 1.00 0.00 H new ATOM 157 N VAL A 75 6.317 7.806 5.211 1.00 0.00 N ATOM 158 CA VAL A 75 5.303 7.771 6.241 1.00 0.00 C ATOM 159 C VAL A 75 4.443 9.032 6.203 1.00 0.00 C ATOM 160 O VAL A 75 4.963 10.150 6.067 1.00 0.00 O ATOM 161 CB VAL A 75 5.963 7.620 7.642 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.948 7.781 8.760 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.649 6.271 7.757 1.00 0.00 C ATOM 0 H VAL A 75 7.268 7.813 5.579 1.00 0.00 H new ATOM 0 HA VAL A 75 4.661 6.910 6.055 1.00 0.00 H new ATOM 0 HB VAL A 75 6.704 8.413 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.446 7.669 9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.494 8.770 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.174 7.020 8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.107 6.178 8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.915 5.477 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.419 6.188 6.990 1.00 0.00 H new ATOM 173 N GLY A 76 3.140 8.839 6.276 1.00 0.00 N ATOM 174 CA GLY A 76 2.218 9.950 6.333 1.00 0.00 C ATOM 175 C GLY A 76 1.561 10.206 5.012 1.00 0.00 C ATOM 176 O GLY A 76 0.618 10.996 4.916 1.00 0.00 O ATOM 0 H GLY A 76 2.698 7.920 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.454 9.748 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.750 10.846 6.652 1.00 0.00 H new ATOM 180 N ASP A 77 2.040 9.529 4.008 1.00 0.00 N ATOM 181 CA ASP A 77 1.562 9.685 2.649 1.00 0.00 C ATOM 182 C ASP A 77 0.574 8.651 2.342 1.00 0.00 C ATOM 183 O ASP A 77 0.676 7.524 2.823 1.00 0.00 O ATOM 184 CB ASP A 77 2.709 9.556 1.660 1.00 0.00 C ATOM 185 CG ASP A 77 3.577 10.775 1.615 1.00 0.00 C ATOM 186 OD1 ASP A 77 4.097 11.185 2.664 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.754 11.361 0.529 1.00 0.00 O ATOM 0 H ASP A 77 2.786 8.840 4.104 1.00 0.00 H new ATOM 0 HA ASP A 77 1.112 10.674 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.318 8.692 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.305 9.366 0.665 1.00 0.00 H new ATOM 192 N LYS A 78 -0.394 9.006 1.587 1.00 0.00 N ATOM 193 CA LYS A 78 -1.316 8.092 1.158 1.00 0.00 C ATOM 194 C LYS A 78 -1.065 7.670 -0.247 1.00 0.00 C ATOM 195 O LYS A 78 -0.553 8.426 -1.081 1.00 0.00 O ATOM 196 CB LYS A 78 -2.716 8.529 1.481 1.00 0.00 C ATOM 197 CG LYS A 78 -3.071 9.898 1.025 1.00 0.00 C ATOM 198 CD LYS A 78 -3.348 9.928 -0.433 1.00 0.00 C ATOM 199 CE LYS A 78 -3.889 11.275 -0.892 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.246 11.524 -0.370 1.00 0.00 N ATOM 0 H LYS A 78 -0.550 9.959 1.258 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.194 7.169 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.413 7.821 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.857 8.475 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.947 10.249 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.255 10.583 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.432 9.702 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.067 9.147 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.220 12.068 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.906 11.308 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.535 12.496 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.913 10.852 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.249 11.400 0.663 1.00 0.00 H new ATOM 214 N CYS A 79 -1.398 6.485 -0.474 1.00 0.00 N ATOM 215 CA CYS A 79 -1.153 5.805 -1.682 1.00 0.00 C ATOM 216 C CYS A 79 -2.339 4.960 -1.960 1.00 0.00 C ATOM 217 O CYS A 79 -3.305 4.973 -1.195 1.00 0.00 O ATOM 218 CB CYS A 79 0.075 4.931 -1.499 1.00 0.00 C ATOM 219 SG CYS A 79 -0.017 3.839 -0.047 1.00 0.00 S ATOM 0 H CYS A 79 -1.883 5.911 0.216 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.981 6.496 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.214 4.322 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.954 5.569 -1.408 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.025 4.189 0.696 1.00 0.00 H new ATOM 225 N MET A 80 -2.326 4.280 -3.030 1.00 0.00 N ATOM 226 CA MET A 80 -3.376 3.376 -3.289 1.00 0.00 C ATOM 227 C MET A 80 -2.797 2.020 -3.130 1.00 0.00 C ATOM 228 O MET A 80 -1.746 1.725 -3.692 1.00 0.00 O ATOM 229 CB MET A 80 -3.970 3.554 -4.678 1.00 0.00 C ATOM 230 CG MET A 80 -4.259 4.996 -5.041 1.00 0.00 C ATOM 231 SD MET A 80 -5.338 5.169 -6.462 1.00 0.00 S ATOM 232 CE MET A 80 -6.880 4.611 -5.737 1.00 0.00 C ATOM 0 H MET A 80 -1.601 4.327 -3.746 1.00 0.00 H new ATOM 0 HA MET A 80 -4.202 3.549 -2.599 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.283 3.135 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.895 2.981 -4.743 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.715 5.494 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.318 5.508 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.717 5.031 -6.294 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.928 3.523 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.934 4.939 -4.699 1.00 0.00 H new ATOM 242 N ALA A 81 -3.439 1.218 -2.375 1.00 0.00 N ATOM 243 CA ALA A 81 -2.947 -0.082 -2.088 1.00 0.00 C ATOM 244 C ALA A 81 -3.908 -1.071 -2.610 1.00 0.00 C ATOM 245 O ALA A 81 -5.105 -0.784 -2.706 1.00 0.00 O ATOM 246 CB ALA A 81 -2.784 -0.264 -0.591 1.00 0.00 C ATOM 0 H ALA A 81 -4.330 1.441 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.973 -0.219 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.406 -1.265 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.080 0.475 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.749 -0.133 -0.101 1.00 0.00 H new ATOM 252 N VAL A 82 -3.418 -2.203 -2.962 1.00 0.00 N ATOM 253 CA VAL A 82 -4.247 -3.244 -3.455 1.00 0.00 C ATOM 254 C VAL A 82 -4.733 -4.018 -2.268 1.00 0.00 C ATOM 255 O VAL A 82 -3.935 -4.607 -1.548 1.00 0.00 O ATOM 256 CB VAL A 82 -3.476 -4.179 -4.425 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.384 -5.267 -4.972 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.851 -3.383 -5.565 1.00 0.00 C ATOM 0 H VAL A 82 -2.426 -2.436 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.077 -2.821 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.675 -4.657 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.818 -5.907 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.773 -5.864 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.213 -4.811 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.316 -4.060 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.634 -2.869 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.155 -2.650 -5.158 1.00 0.00 H new ATOM 268 N TRP A 83 -6.020 -3.961 -2.031 1.00 0.00 N ATOM 269 CA TRP A 83 -6.612 -4.647 -0.924 1.00 0.00 C ATOM 270 C TRP A 83 -6.512 -6.107 -1.191 1.00 0.00 C ATOM 271 O TRP A 83 -7.096 -6.591 -2.153 1.00 0.00 O ATOM 272 CB TRP A 83 -8.080 -4.256 -0.760 1.00 0.00 C ATOM 273 CG TRP A 83 -8.672 -4.696 0.554 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.008 -4.822 1.724 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.038 -5.018 0.847 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.844 -5.219 2.711 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.095 -5.342 2.215 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.208 -5.069 0.103 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.270 -5.713 2.851 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.385 -5.434 0.738 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.400 -5.753 2.103 1.00 0.00 C ATOM 0 H TRP A 83 -6.681 -3.436 -2.603 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.091 -4.380 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.172 -3.173 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.658 -4.692 -1.575 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.953 -4.632 1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.573 -5.397 3.678 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.202 -4.829 -0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.284 -5.961 3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.304 -5.473 0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.332 -6.037 2.569 1.00 0.00 H new ATOM 292 N SER A 84 -5.792 -6.799 -0.355 1.00 0.00 N ATOM 293 CA SER A 84 -5.546 -8.222 -0.521 1.00 0.00 C ATOM 294 C SER A 84 -6.856 -9.019 -0.571 1.00 0.00 C ATOM 295 O SER A 84 -6.919 -10.091 -1.167 1.00 0.00 O ATOM 296 CB SER A 84 -4.634 -8.736 0.611 1.00 0.00 C ATOM 297 OG SER A 84 -4.242 -10.099 0.405 1.00 0.00 O ATOM 0 H SER A 84 -5.351 -6.397 0.472 1.00 0.00 H new ATOM 0 HA SER A 84 -5.041 -8.370 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.745 -8.108 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.155 -8.648 1.565 1.00 0.00 H new ATOM 0 HG SER A 84 -3.664 -10.388 1.142 1.00 0.00 H new ATOM 303 N GLU A 85 -7.900 -8.464 -0.008 1.00 0.00 N ATOM 304 CA GLU A 85 -9.157 -9.160 0.071 1.00 0.00 C ATOM 305 C GLU A 85 -9.961 -9.035 -1.224 1.00 0.00 C ATOM 306 O GLU A 85 -10.643 -9.972 -1.629 1.00 0.00 O ATOM 307 CB GLU A 85 -9.966 -8.605 1.205 1.00 0.00 C ATOM 308 CG GLU A 85 -9.257 -8.598 2.549 1.00 0.00 C ATOM 309 CD GLU A 85 -8.905 -9.968 3.079 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.765 -10.622 3.695 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.743 -10.397 2.936 1.00 0.00 O ATOM 0 H GLU A 85 -7.903 -7.530 0.403 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.941 -10.216 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.258 -7.584 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.884 -9.186 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.343 -8.011 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.891 -8.092 3.277 1.00 0.00 H new ATOM 318 N ASP A 86 -9.881 -7.882 -1.872 1.00 0.00 N ATOM 319 CA ASP A 86 -10.710 -7.642 -3.070 1.00 0.00 C ATOM 320 C ASP A 86 -9.879 -7.615 -4.351 1.00 0.00 C ATOM 321 O ASP A 86 -10.394 -7.797 -5.460 1.00 0.00 O ATOM 322 CB ASP A 86 -11.471 -6.331 -2.908 1.00 0.00 C ATOM 323 CG ASP A 86 -12.522 -6.103 -3.952 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.570 -6.772 -3.912 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.333 -5.242 -4.811 1.00 0.00 O ATOM 0 H ASP A 86 -9.271 -7.109 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.413 -8.470 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.941 -6.315 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.761 -5.505 -2.936 1.00 0.00 H new ATOM 330 N GLY A 87 -8.599 -7.414 -4.191 1.00 0.00 N ATOM 331 CA GLY A 87 -7.681 -7.373 -5.323 1.00 0.00 C ATOM 332 C GLY A 87 -7.714 -6.051 -6.083 1.00 0.00 C ATOM 333 O GLY A 87 -7.187 -5.951 -7.187 1.00 0.00 O ATOM 0 H GLY A 87 -8.154 -7.274 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.667 -7.553 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.926 -8.184 -6.009 1.00 0.00 H new ATOM 337 N GLN A 88 -8.335 -5.049 -5.505 1.00 0.00 N ATOM 338 CA GLN A 88 -8.439 -3.739 -6.142 1.00 0.00 C ATOM 339 C GLN A 88 -7.679 -2.710 -5.359 1.00 0.00 C ATOM 340 O GLN A 88 -7.303 -2.967 -4.218 1.00 0.00 O ATOM 341 CB GLN A 88 -9.891 -3.311 -6.314 1.00 0.00 C ATOM 342 CG GLN A 88 -10.649 -4.069 -7.376 1.00 0.00 C ATOM 343 CD GLN A 88 -10.079 -3.857 -8.762 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.463 -2.922 -9.460 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.191 -4.716 -9.175 1.00 0.00 N ATOM 0 H GLN A 88 -8.781 -5.108 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.998 -3.821 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.407 -3.433 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.916 -2.249 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.632 -5.133 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.693 -3.756 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.898 -5.479 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.789 -4.625 -10.108 1.00 0.00 H new ATOM 354 N CYS A 89 -7.489 -1.547 -5.927 1.00 0.00 N ATOM 355 CA CYS A 89 -6.735 -0.519 -5.254 1.00 0.00 C ATOM 356 C CYS A 89 -7.652 0.495 -4.596 1.00 0.00 C ATOM 357 O CYS A 89 -8.638 0.952 -5.192 1.00 0.00 O ATOM 358 CB CYS A 89 -5.730 0.159 -6.190 1.00 0.00 C ATOM 359 SG CYS A 89 -6.451 0.965 -7.631 1.00 0.00 S ATOM 0 H CYS A 89 -7.843 -1.288 -6.848 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.159 -1.005 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.170 0.901 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.014 -0.588 -6.531 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.507 1.503 -8.345 1.00 0.00 H new ATOM 365 N TYR A 90 -7.331 0.819 -3.374 1.00 0.00 N ATOM 366 CA TYR A 90 -8.094 1.731 -2.551 1.00 0.00 C ATOM 367 C TYR A 90 -7.120 2.677 -1.897 1.00 0.00 C ATOM 368 O TYR A 90 -5.931 2.343 -1.787 1.00 0.00 O ATOM 369 CB TYR A 90 -8.865 0.949 -1.474 1.00 0.00 C ATOM 370 CG TYR A 90 -9.915 -0.016 -2.011 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.548 -1.247 -2.549 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.266 0.299 -1.976 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.481 -2.123 -3.039 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.211 -0.576 -2.470 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.810 -1.788 -3.001 1.00 0.00 C ATOM 376 OH TYR A 90 -12.754 -2.646 -3.529 1.00 0.00 O ATOM 0 H TYR A 90 -6.506 0.447 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.815 2.279 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.151 0.388 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.353 1.661 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.503 -1.518 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.582 1.243 -1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.171 -3.071 -3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.259 -0.316 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.310 -3.448 -3.874 1.00 0.00 H new ATOM 386 N GLU A 91 -7.583 3.835 -1.479 1.00 0.00 N ATOM 387 CA GLU A 91 -6.700 4.803 -0.869 1.00 0.00 C ATOM 388 C GLU A 91 -6.323 4.361 0.531 1.00 0.00 C ATOM 389 O GLU A 91 -7.188 4.107 1.392 1.00 0.00 O ATOM 390 CB GLU A 91 -7.318 6.204 -0.846 1.00 0.00 C ATOM 391 CG GLU A 91 -6.381 7.264 -0.269 1.00 0.00 C ATOM 392 CD GLU A 91 -6.906 8.664 -0.405 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.659 9.127 0.472 1.00 0.00 O ATOM 394 OE2 GLU A 91 -6.553 9.350 -1.399 1.00 0.00 O ATOM 0 H GLU A 91 -8.558 4.127 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.798 4.858 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.597 6.488 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.236 6.180 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.208 7.050 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.415 7.196 -0.770 1.00 0.00 H new ATOM 401 N ALA A 92 -5.053 4.265 0.750 1.00 0.00 N ATOM 402 CA ALA A 92 -4.518 3.828 1.993 1.00 0.00 C ATOM 403 C ALA A 92 -3.325 4.669 2.366 1.00 0.00 C ATOM 404 O ALA A 92 -2.483 4.971 1.526 1.00 0.00 O ATOM 405 CB ALA A 92 -4.126 2.383 1.895 1.00 0.00 C ATOM 0 H ALA A 92 -4.344 4.494 0.053 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.276 3.937 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.716 2.052 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.003 1.784 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.374 2.262 1.116 1.00 0.00 H new ATOM 411 N GLU A 93 -3.236 5.019 3.607 1.00 0.00 N ATOM 412 CA GLU A 93 -2.195 5.878 4.071 1.00 0.00 C ATOM 413 C GLU A 93 -1.103 5.063 4.734 1.00 0.00 C ATOM 414 O GLU A 93 -1.381 4.157 5.520 1.00 0.00 O ATOM 415 CB GLU A 93 -2.770 6.931 5.007 1.00 0.00 C ATOM 416 CG GLU A 93 -1.789 7.998 5.446 1.00 0.00 C ATOM 417 CD GLU A 93 -2.462 9.072 6.245 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.968 10.039 5.642 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.514 8.965 7.484 1.00 0.00 O ATOM 0 H GLU A 93 -3.886 4.716 4.332 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.746 6.398 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.613 7.414 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.163 6.433 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.998 7.543 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.314 8.439 4.570 1.00 0.00 H new ATOM 426 N ILE A 94 0.116 5.353 4.365 1.00 0.00 N ATOM 427 CA ILE A 94 1.281 4.661 4.864 1.00 0.00 C ATOM 428 C ILE A 94 1.582 5.041 6.307 1.00 0.00 C ATOM 429 O ILE A 94 1.809 6.226 6.638 1.00 0.00 O ATOM 430 CB ILE A 94 2.505 4.947 3.978 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.178 4.542 2.546 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.710 4.154 4.493 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.162 5.029 1.526 1.00 0.00 C ATOM 0 H ILE A 94 0.335 6.091 3.696 1.00 0.00 H new ATOM 0 HA ILE A 94 1.063 3.593 4.833 1.00 0.00 H new ATOM 0 HB ILE A 94 2.750 6.009 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.125 3.455 2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.189 4.923 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.576 4.358 3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.929 4.450 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.484 3.088 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.853 4.696 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.200 6.118 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.150 4.627 1.752 1.00 0.00 H new ATOM 445 N GLU A 95 1.593 4.040 7.140 1.00 0.00 N ATOM 446 CA GLU A 95 1.836 4.186 8.547 1.00 0.00 C ATOM 447 C GLU A 95 3.305 3.966 8.867 1.00 0.00 C ATOM 448 O GLU A 95 3.892 4.700 9.662 1.00 0.00 O ATOM 449 CB GLU A 95 0.994 3.171 9.306 1.00 0.00 C ATOM 450 CG GLU A 95 -0.499 3.345 9.115 1.00 0.00 C ATOM 451 CD GLU A 95 -1.028 4.606 9.747 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.211 4.630 10.980 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.272 5.601 9.041 1.00 0.00 O ATOM 0 H GLU A 95 1.429 3.075 6.852 1.00 0.00 H new ATOM 0 HA GLU A 95 1.565 5.198 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.277 2.168 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.225 3.244 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.725 3.357 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.017 2.486 9.541 1.00 0.00 H new ATOM 460 N GLU A 96 3.897 2.977 8.223 1.00 0.00 N ATOM 461 CA GLU A 96 5.266 2.585 8.498 1.00 0.00 C ATOM 462 C GLU A 96 5.826 1.853 7.284 1.00 0.00 C ATOM 463 O GLU A 96 5.069 1.227 6.540 1.00 0.00 O ATOM 464 CB GLU A 96 5.270 1.675 9.732 1.00 0.00 C ATOM 465 CG GLU A 96 6.630 1.212 10.192 1.00 0.00 C ATOM 466 CD GLU A 96 6.537 0.327 11.398 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.265 0.829 12.508 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.731 -0.890 11.264 1.00 0.00 O ATOM 0 H GLU A 96 3.443 2.424 7.496 1.00 0.00 H new ATOM 0 HA GLU A 96 5.889 3.457 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.788 2.204 10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.660 0.798 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.124 0.674 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.250 2.078 10.423 1.00 0.00 H new ATOM 475 N ILE A 97 7.119 1.953 7.072 1.00 0.00 N ATOM 476 CA ILE A 97 7.773 1.329 5.939 1.00 0.00 C ATOM 477 C ILE A 97 8.890 0.412 6.419 1.00 0.00 C ATOM 478 O ILE A 97 9.682 0.777 7.280 1.00 0.00 O ATOM 479 CB ILE A 97 8.371 2.411 5.009 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.272 3.355 4.550 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.056 1.778 3.793 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.778 4.695 4.184 1.00 0.00 C ATOM 0 H ILE A 97 7.751 2.471 7.682 1.00 0.00 H new ATOM 0 HA ILE A 97 7.033 0.745 5.391 1.00 0.00 H new ATOM 0 HB ILE A 97 9.122 2.968 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.761 2.919 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.532 3.456 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.467 2.563 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.861 1.124 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.328 1.197 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.946 5.323 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.265 5.148 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.497 4.603 3.370 1.00 0.00 H new ATOM 494 N ASP A 98 8.925 -0.762 5.868 1.00 0.00 N ATOM 495 CA ASP A 98 9.941 -1.747 6.150 1.00 0.00 C ATOM 496 C ASP A 98 10.844 -1.840 4.939 1.00 0.00 C ATOM 497 O ASP A 98 10.521 -2.509 3.961 1.00 0.00 O ATOM 498 CB ASP A 98 9.303 -3.116 6.422 1.00 0.00 C ATOM 499 CG ASP A 98 10.322 -4.172 6.772 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.908 -4.748 5.861 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.532 -4.453 7.977 1.00 0.00 O ATOM 0 H ASP A 98 8.231 -1.077 5.190 1.00 0.00 H new ATOM 0 HA ASP A 98 10.507 -1.454 7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.587 -3.023 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.744 -3.433 5.542 1.00 0.00 H new ATOM 506 N GLU A 99 11.913 -1.092 4.968 1.00 0.00 N ATOM 507 CA GLU A 99 12.895 -1.055 3.886 1.00 0.00 C ATOM 508 C GLU A 99 13.641 -2.381 3.731 1.00 0.00 C ATOM 509 O GLU A 99 14.285 -2.629 2.706 1.00 0.00 O ATOM 510 CB GLU A 99 13.872 0.065 4.124 1.00 0.00 C ATOM 511 CG GLU A 99 13.237 1.437 4.132 1.00 0.00 C ATOM 512 CD GLU A 99 14.204 2.500 4.558 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.930 3.042 3.700 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.268 2.796 5.768 1.00 0.00 O ATOM 0 H GLU A 99 12.142 -0.477 5.749 1.00 0.00 H new ATOM 0 HA GLU A 99 12.353 -0.882 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.373 -0.099 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.640 0.035 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.860 1.668 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.380 1.436 4.805 1.00 0.00 H new ATOM 521 N GLU A 100 13.583 -3.202 4.758 1.00 0.00 N ATOM 522 CA GLU A 100 14.248 -4.483 4.758 1.00 0.00 C ATOM 523 C GLU A 100 13.632 -5.388 3.691 1.00 0.00 C ATOM 524 O GLU A 100 14.339 -6.057 2.934 1.00 0.00 O ATOM 525 CB GLU A 100 14.080 -5.131 6.131 1.00 0.00 C ATOM 526 CG GLU A 100 14.826 -6.442 6.304 1.00 0.00 C ATOM 527 CD GLU A 100 14.459 -7.140 7.582 1.00 0.00 C ATOM 528 OE1 GLU A 100 13.439 -7.874 7.599 1.00 0.00 O ATOM 529 OE2 GLU A 100 15.163 -6.975 8.599 1.00 0.00 O ATOM 0 H GLU A 100 13.072 -2.998 5.617 1.00 0.00 H new ATOM 0 HA GLU A 100 15.307 -4.343 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.421 -4.430 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.019 -5.305 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.608 -7.096 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.899 -6.252 6.291 1.00 0.00 H new ATOM 536 N ASN A 101 12.327 -5.377 3.625 1.00 0.00 N ATOM 537 CA ASN A 101 11.591 -6.191 2.666 1.00 0.00 C ATOM 538 C ASN A 101 11.039 -5.349 1.549 1.00 0.00 C ATOM 539 O ASN A 101 10.611 -5.869 0.522 1.00 0.00 O ATOM 540 CB ASN A 101 10.431 -6.908 3.360 1.00 0.00 C ATOM 541 CG ASN A 101 10.875 -7.866 4.443 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.119 -9.049 4.191 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.005 -7.371 5.641 1.00 0.00 N ATOM 0 H ASN A 101 11.735 -4.807 4.230 1.00 0.00 H new ATOM 0 HA ASN A 101 12.287 -6.920 2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.763 -6.165 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.855 -7.456 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.318 -7.967 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.794 -6.388 5.812 1.00 0.00 H new ATOM 550 N GLY A 102 11.050 -4.048 1.745 1.00 0.00 N ATOM 551 CA GLY A 102 10.466 -3.155 0.777 1.00 0.00 C ATOM 552 C GLY A 102 8.956 -3.157 0.903 1.00 0.00 C ATOM 553 O GLY A 102 8.231 -2.951 -0.072 1.00 0.00 O ATOM 0 H GLY A 102 11.455 -3.591 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.849 -2.145 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.754 -3.460 -0.229 1.00 0.00 H new ATOM 557 N THR A 103 8.471 -3.399 2.098 1.00 0.00 N ATOM 558 CA THR A 103 7.052 -3.450 2.322 1.00 0.00 C ATOM 559 C THR A 103 6.609 -2.309 3.211 1.00 0.00 C ATOM 560 O THR A 103 7.403 -1.774 3.956 1.00 0.00 O ATOM 561 CB THR A 103 6.640 -4.806 2.928 1.00 0.00 C ATOM 562 OG1 THR A 103 7.435 -5.082 4.105 1.00 0.00 O ATOM 563 CG2 THR A 103 6.818 -5.932 1.916 1.00 0.00 C ATOM 0 H THR A 103 9.041 -3.563 2.928 1.00 0.00 H new ATOM 0 HA THR A 103 6.553 -3.345 1.358 1.00 0.00 H new ATOM 0 HB THR A 103 5.587 -4.750 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.167 -5.944 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.520 -6.878 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.197 -5.737 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.864 -5.987 1.614 1.00 0.00 H new ATOM 571 N ALA A 104 5.368 -1.929 3.123 1.00 0.00 N ATOM 572 CA ALA A 104 4.861 -0.854 3.925 1.00 0.00 C ATOM 573 C ALA A 104 3.553 -1.235 4.549 1.00 0.00 C ATOM 574 O ALA A 104 2.760 -1.979 3.964 1.00 0.00 O ATOM 575 CB ALA A 104 4.693 0.404 3.099 1.00 0.00 C ATOM 0 H ALA A 104 4.682 -2.352 2.498 1.00 0.00 H new ATOM 0 HA ALA A 104 5.585 -0.655 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.307 1.205 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.658 0.700 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.993 0.214 2.285 1.00 0.00 H new ATOM 581 N ALA A 105 3.350 -0.753 5.729 1.00 0.00 N ATOM 582 CA ALA A 105 2.137 -0.953 6.444 1.00 0.00 C ATOM 583 C ALA A 105 1.238 0.214 6.152 1.00 0.00 C ATOM 584 O ALA A 105 1.614 1.379 6.382 1.00 0.00 O ATOM 585 CB ALA A 105 2.431 -1.045 7.904 1.00 0.00 C ATOM 0 H ALA A 105 4.040 -0.196 6.234 1.00 0.00 H new ATOM 0 HA ALA A 105 1.649 -1.879 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.502 -1.198 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.104 -1.883 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.902 -0.121 8.239 1.00 0.00 H new ATOM 591 N ILE A 106 0.091 -0.070 5.635 1.00 0.00 N ATOM 592 CA ILE A 106 -0.813 0.951 5.184 1.00 0.00 C ATOM 593 C ILE A 106 -2.176 0.795 5.832 1.00 0.00 C ATOM 594 O ILE A 106 -2.587 -0.309 6.147 1.00 0.00 O ATOM 595 CB ILE A 106 -0.948 0.892 3.628 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.399 -0.500 3.155 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.331 1.302 2.935 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.862 -0.603 2.916 1.00 0.00 C ATOM 0 H ILE A 106 -0.255 -1.021 5.509 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.408 1.921 5.474 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.719 1.611 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.871 -0.751 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.108 -1.240 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.194 1.247 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.586 2.324 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.137 0.632 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.106 -1.612 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.398 -0.384 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.156 0.112 2.148 1.00 0.00 H new ATOM 610 N THR A 107 -2.846 1.888 6.046 1.00 0.00 N ATOM 611 CA THR A 107 -4.181 1.888 6.592 1.00 0.00 C ATOM 612 C THR A 107 -5.173 2.412 5.549 1.00 0.00 C ATOM 613 O THR A 107 -4.988 3.489 5.000 1.00 0.00 O ATOM 614 CB THR A 107 -4.250 2.746 7.874 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.336 2.211 8.843 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.654 2.752 8.468 1.00 0.00 C ATOM 0 H THR A 107 -2.481 2.819 5.846 1.00 0.00 H new ATOM 0 HA THR A 107 -4.447 0.864 6.853 1.00 0.00 H new ATOM 0 HB THR A 107 -3.984 3.771 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.372 2.751 9.660 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.665 3.366 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.355 3.162 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.947 1.733 8.720 1.00 0.00 H new ATOM 624 N PHE A 108 -6.193 1.631 5.265 1.00 0.00 N ATOM 625 CA PHE A 108 -7.211 1.996 4.303 1.00 0.00 C ATOM 626 C PHE A 108 -8.094 3.081 4.843 1.00 0.00 C ATOM 627 O PHE A 108 -8.786 2.889 5.857 1.00 0.00 O ATOM 628 CB PHE A 108 -8.040 0.791 3.885 1.00 0.00 C ATOM 629 CG PHE A 108 -7.267 -0.186 3.069 1.00 0.00 C ATOM 630 CD1 PHE A 108 -7.048 0.069 1.730 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.752 -1.349 3.630 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.327 -0.806 0.951 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.030 -2.237 2.855 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.813 -1.962 1.511 1.00 0.00 C ATOM 0 H PHE A 108 -6.340 0.719 5.698 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.702 2.375 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.422 0.292 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.904 1.131 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.449 0.969 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.917 -1.560 4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.163 -0.591 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.636 -3.142 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.244 -2.650 0.904 1.00 0.00 H new ATOM 644 N ALA A 109 -8.081 4.198 4.154 1.00 0.00 N ATOM 645 CA ALA A 109 -8.803 5.378 4.549 1.00 0.00 C ATOM 646 C ALA A 109 -10.301 5.143 4.485 1.00 0.00 C ATOM 647 O ALA A 109 -10.811 4.572 3.513 1.00 0.00 O ATOM 648 CB ALA A 109 -8.404 6.552 3.665 1.00 0.00 C ATOM 0 H ALA A 109 -7.557 4.311 3.286 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.546 5.613 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.955 7.441 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.334 6.736 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.637 6.320 2.626 1.00 0.00 H new ATOM 654 N GLY A 110 -10.980 5.502 5.543 1.00 0.00 N ATOM 655 CA GLY A 110 -12.418 5.391 5.584 1.00 0.00 C ATOM 656 C GLY A 110 -12.865 4.095 6.208 1.00 0.00 C ATOM 657 O GLY A 110 -13.637 4.089 7.174 1.00 0.00 O ATOM 0 H GLY A 110 -10.559 5.876 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.830 6.227 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.816 5.463 4.572 1.00 0.00 H new ATOM 661 N TYR A 111 -12.384 2.999 5.665 1.00 0.00 N ATOM 662 CA TYR A 111 -12.724 1.690 6.162 1.00 0.00 C ATOM 663 C TYR A 111 -12.033 1.436 7.498 1.00 0.00 C ATOM 664 O TYR A 111 -12.652 0.966 8.448 1.00 0.00 O ATOM 665 CB TYR A 111 -12.298 0.637 5.178 1.00 0.00 C ATOM 666 CG TYR A 111 -12.818 0.815 3.768 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.122 0.465 3.428 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.982 1.288 2.769 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.577 0.584 2.123 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.415 1.407 1.470 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.718 1.051 1.145 1.00 0.00 C ATOM 672 OH TYR A 111 -14.157 1.154 -0.161 1.00 0.00 O ATOM 0 H TYR A 111 -11.747 2.993 4.868 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.804 1.644 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.209 0.615 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.626 -0.335 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.790 0.095 4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.969 1.569 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.593 0.314 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.746 1.775 0.706 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.494 0.753 -0.761 1.00 0.00 H new ATOM 682 N GLY A 112 -10.762 1.761 7.567 1.00 0.00 N ATOM 683 CA GLY A 112 -10.033 1.604 8.797 1.00 0.00 C ATOM 684 C GLY A 112 -9.443 0.218 8.992 1.00 0.00 C ATOM 685 O GLY A 112 -9.624 -0.388 10.051 1.00 0.00 O ATOM 0 H GLY A 112 -10.218 2.133 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.228 2.338 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.697 1.826 9.632 1.00 0.00 H new ATOM 689 N ASN A 113 -8.783 -0.306 7.972 1.00 0.00 N ATOM 690 CA ASN A 113 -8.032 -1.562 8.112 1.00 0.00 C ATOM 691 C ASN A 113 -6.617 -1.279 7.769 1.00 0.00 C ATOM 692 O ASN A 113 -6.323 -0.208 7.257 1.00 0.00 O ATOM 693 CB ASN A 113 -8.487 -2.709 7.205 1.00 0.00 C ATOM 694 CG ASN A 113 -9.890 -3.193 7.397 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.507 -3.001 8.445 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.360 -3.914 6.425 1.00 0.00 N ATOM 0 H ASN A 113 -8.746 0.108 7.041 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.195 -1.893 9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.374 -2.390 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.812 -3.551 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.278 -4.350 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.811 -4.044 5.575 1.00 0.00 H new ATOM 703 N ALA A 114 -5.757 -2.230 7.965 1.00 0.00 N ATOM 704 CA ALA A 114 -4.359 -2.032 7.720 1.00 0.00 C ATOM 705 C ALA A 114 -3.720 -3.316 7.247 1.00 0.00 C ATOM 706 O ALA A 114 -4.034 -4.392 7.764 1.00 0.00 O ATOM 707 CB ALA A 114 -3.675 -1.525 8.987 1.00 0.00 C ATOM 0 H ALA A 114 -6.001 -3.163 8.298 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.240 -1.284 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.613 -1.377 8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.124 -0.579 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.799 -2.257 9.785 1.00 0.00 H new ATOM 713 N GLU A 115 -2.855 -3.224 6.261 1.00 0.00 N ATOM 714 CA GLU A 115 -2.145 -4.383 5.787 1.00 0.00 C ATOM 715 C GLU A 115 -0.731 -4.006 5.412 1.00 0.00 C ATOM 716 O GLU A 115 -0.440 -2.830 5.168 1.00 0.00 O ATOM 717 CB GLU A 115 -2.845 -5.093 4.604 1.00 0.00 C ATOM 718 CG GLU A 115 -2.721 -4.474 3.219 1.00 0.00 C ATOM 719 CD GLU A 115 -3.125 -5.484 2.144 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.257 -6.306 1.724 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.305 -5.522 1.739 1.00 0.00 O ATOM 0 H GLU A 115 -2.629 -2.357 5.774 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.133 -5.099 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.458 -6.110 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.906 -5.168 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.354 -3.589 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.695 -4.146 3.051 1.00 0.00 H new ATOM 728 N VAL A 116 0.146 -4.974 5.403 1.00 0.00 N ATOM 729 CA VAL A 116 1.495 -4.753 4.979 1.00 0.00 C ATOM 730 C VAL A 116 1.620 -5.228 3.553 1.00 0.00 C ATOM 731 O VAL A 116 1.546 -6.432 3.265 1.00 0.00 O ATOM 732 CB VAL A 116 2.539 -5.470 5.866 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.948 -5.128 5.401 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.358 -5.095 7.324 1.00 0.00 C ATOM 0 H VAL A 116 -0.057 -5.932 5.689 1.00 0.00 H new ATOM 0 HA VAL A 116 1.706 -3.687 5.065 1.00 0.00 H new ATOM 0 HB VAL A 116 2.389 -6.545 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.674 -5.639 6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.078 -5.449 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.102 -4.051 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.104 -5.612 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.480 -4.018 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.360 -5.385 7.653 1.00 0.00 H new ATOM 744 N THR A 117 1.787 -4.305 2.687 1.00 0.00 N ATOM 745 CA THR A 117 1.830 -4.568 1.280 1.00 0.00 C ATOM 746 C THR A 117 3.123 -3.959 0.712 1.00 0.00 C ATOM 747 O THR A 117 3.599 -2.938 1.228 1.00 0.00 O ATOM 748 CB THR A 117 0.538 -4.025 0.563 1.00 0.00 C ATOM 749 OG1 THR A 117 0.441 -4.513 -0.784 1.00 0.00 O ATOM 750 CG2 THR A 117 0.503 -2.512 0.553 1.00 0.00 C ATOM 0 H THR A 117 1.901 -3.321 2.929 1.00 0.00 H new ATOM 0 HA THR A 117 1.842 -5.642 1.097 1.00 0.00 H new ATOM 0 HB THR A 117 -0.314 -4.393 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.372 -4.160 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.402 -2.172 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.510 -2.141 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.376 -2.131 0.024 1.00 0.00 H new ATOM 758 N PRO A 118 3.787 -4.636 -0.240 1.00 0.00 N ATOM 759 CA PRO A 118 5.024 -4.145 -0.824 1.00 0.00 C ATOM 760 C PRO A 118 4.840 -2.800 -1.508 1.00 0.00 C ATOM 761 O PRO A 118 3.758 -2.494 -2.012 1.00 0.00 O ATOM 762 CB PRO A 118 5.410 -5.214 -1.843 1.00 0.00 C ATOM 763 CG PRO A 118 4.161 -5.945 -2.121 1.00 0.00 C ATOM 764 CD PRO A 118 3.361 -5.897 -0.854 1.00 0.00 C ATOM 0 HA PRO A 118 5.788 -3.982 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.815 -4.766 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.177 -5.879 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.615 -5.485 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.369 -6.975 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.289 -5.907 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.573 -6.751 -0.210 1.00 0.00 H new ATOM 772 N LEU A 119 5.897 -2.022 -1.539 1.00 0.00 N ATOM 773 CA LEU A 119 5.901 -0.688 -2.153 1.00 0.00 C ATOM 774 C LEU A 119 5.546 -0.765 -3.627 1.00 0.00 C ATOM 775 O LEU A 119 5.020 0.185 -4.205 1.00 0.00 O ATOM 776 CB LEU A 119 7.267 -0.033 -1.974 1.00 0.00 C ATOM 777 CG LEU A 119 7.735 0.146 -0.528 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.096 0.787 -0.481 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.745 0.959 0.275 1.00 0.00 C ATOM 0 H LEU A 119 6.796 -2.289 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 119 5.146 -0.081 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.008 -0.631 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.245 0.946 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 119 7.801 -0.845 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.407 0.904 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.813 0.157 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.054 1.765 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.108 1.067 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.632 1.945 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.780 0.452 0.284 1.00 0.00 H new ATOM 791 N LEU A 120 5.834 -1.905 -4.216 1.00 0.00 N ATOM 792 CA LEU A 120 5.526 -2.183 -5.606 1.00 0.00 C ATOM 793 C LEU A 120 4.013 -2.250 -5.819 1.00 0.00 C ATOM 794 O LEU A 120 3.519 -2.001 -6.914 1.00 0.00 O ATOM 795 CB LEU A 120 6.200 -3.497 -6.020 1.00 0.00 C ATOM 796 CG LEU A 120 5.526 -4.804 -5.601 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.623 -5.296 -6.707 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.554 -5.844 -5.247 1.00 0.00 C ATOM 0 H LEU A 120 6.296 -2.678 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 120 5.910 -1.376 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.291 -3.500 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.212 -3.497 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 120 4.921 -4.617 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.147 -6.227 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.858 -4.547 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.212 -5.469 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.052 -6.766 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.189 -6.037 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.167 -5.484 -4.421 1.00 0.00 H new ATOM 810 N ASN A 121 3.293 -2.584 -4.768 1.00 0.00 N ATOM 811 CA ASN A 121 1.839 -2.690 -4.821 1.00 0.00 C ATOM 812 C ASN A 121 1.191 -1.377 -4.466 1.00 0.00 C ATOM 813 O ASN A 121 -0.038 -1.257 -4.467 1.00 0.00 O ATOM 814 CB ASN A 121 1.286 -3.801 -3.904 1.00 0.00 C ATOM 815 CG ASN A 121 1.451 -5.203 -4.442 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.570 -5.410 -5.634 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.369 -6.174 -3.583 1.00 0.00 N ATOM 0 H ASN A 121 3.692 -2.790 -3.852 1.00 0.00 H new ATOM 0 HA ASN A 121 1.592 -2.956 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.784 -3.737 -2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.226 -3.616 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.404 -7.142 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.270 -5.968 -2.589 1.00 0.00 H new ATOM 824 N LEU A 122 2.000 -0.399 -4.151 1.00 0.00 N ATOM 825 CA LEU A 122 1.495 0.894 -3.833 1.00 0.00 C ATOM 826 C LEU A 122 1.486 1.749 -5.072 1.00 0.00 C ATOM 827 O LEU A 122 2.476 1.819 -5.811 1.00 0.00 O ATOM 828 CB LEU A 122 2.320 1.533 -2.724 1.00 0.00 C ATOM 829 CG LEU A 122 2.289 0.815 -1.386 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.103 1.571 -0.356 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.859 0.638 -0.914 1.00 0.00 C ATOM 0 H LEU A 122 3.016 -0.483 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 122 0.472 0.803 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.356 1.598 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.968 2.554 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 122 2.734 -0.172 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.068 1.041 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.137 1.645 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.690 2.572 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.854 0.122 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.389 1.615 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.305 0.050 -1.645 1.00 0.00 H new ATOM 843 N LYS A 123 0.379 2.379 -5.308 1.00 0.00 N ATOM 844 CA LYS A 123 0.199 3.196 -6.479 1.00 0.00 C ATOM 845 C LYS A 123 0.048 4.644 -6.072 1.00 0.00 C ATOM 846 O LYS A 123 -0.383 4.933 -4.944 1.00 0.00 O ATOM 847 CB LYS A 123 -1.046 2.760 -7.251 1.00 0.00 C ATOM 848 CG LYS A 123 -1.130 1.289 -7.553 1.00 0.00 C ATOM 849 CD LYS A 123 -2.344 0.992 -8.401 1.00 0.00 C ATOM 850 CE LYS A 123 -2.503 -0.499 -8.681 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.346 -1.069 -9.401 1.00 0.00 N ATOM 0 H LYS A 123 -0.434 2.345 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 123 1.074 3.080 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.928 3.048 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.082 3.310 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.228 0.966 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.181 0.723 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.236 1.362 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.266 1.531 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.637 -1.030 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.407 -0.660 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.554 -2.052 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.159 -0.508 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.509 -1.049 -8.784 1.00 0.00 H new ATOM 865 N PRO A 124 0.385 5.576 -6.970 1.00 0.00 N ATOM 866 CA PRO A 124 0.262 6.994 -6.704 1.00 0.00 C ATOM 867 C PRO A 124 -1.193 7.421 -6.705 1.00 0.00 C ATOM 868 O PRO A 124 -2.027 6.879 -7.458 1.00 0.00 O ATOM 869 CB PRO A 124 1.026 7.655 -7.850 1.00 0.00 C ATOM 870 CG PRO A 124 0.973 6.670 -8.967 1.00 0.00 C ATOM 871 CD PRO A 124 0.903 5.310 -8.331 1.00 0.00 C ATOM 0 HA PRO A 124 0.654 7.272 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.567 8.601 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.055 7.873 -7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.104 6.848 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.854 6.756 -9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.243 4.644 -8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.883 4.834 -8.299 1.00 0.00 H new ATOM 879 N VAL A 125 -1.500 8.355 -5.872 1.00 0.00 N ATOM 880 CA VAL A 125 -2.847 8.843 -5.737 1.00 0.00 C ATOM 881 C VAL A 125 -3.072 10.055 -6.606 1.00 0.00 C ATOM 882 O VAL A 125 -2.151 10.541 -7.293 1.00 0.00 O ATOM 883 CB VAL A 125 -3.150 9.238 -4.281 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.151 8.026 -3.399 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.123 10.233 -3.793 1.00 0.00 C ATOM 0 H VAL A 125 -0.826 8.811 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.509 8.034 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.138 9.697 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.367 8.323 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -3.913 7.327 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.173 7.546 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.344 10.508 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.130 9.786 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.153 11.124 -4.420 1.00 0.00 H new ATOM 895 N GLU A 126 -4.267 10.530 -6.581 1.00 0.00 N ATOM 896 CA GLU A 126 -4.639 11.733 -7.240 1.00 0.00 C ATOM 897 C GLU A 126 -4.871 12.784 -6.169 1.00 0.00 C ATOM 898 O GLU A 126 -5.277 12.437 -5.046 1.00 0.00 O ATOM 899 CB GLU A 126 -5.917 11.536 -8.098 1.00 0.00 C ATOM 900 CG GLU A 126 -7.190 11.131 -7.334 1.00 0.00 C ATOM 901 CD GLU A 126 -7.142 9.743 -6.739 1.00 0.00 C ATOM 902 OE1 GLU A 126 -6.611 9.580 -5.623 1.00 0.00 O ATOM 903 OE2 GLU A 126 -7.643 8.782 -7.376 1.00 0.00 O ATOM 0 H GLU A 126 -5.037 10.079 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 126 -3.848 12.044 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.118 12.465 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -5.711 10.774 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.364 11.851 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.042 11.194 -8.011 1.00 0.00 H new ATOM 910 N GLU A 127 -4.552 14.032 -6.479 1.00 0.00 N ATOM 911 CA GLU A 127 -4.779 15.174 -5.574 1.00 0.00 C ATOM 912 C GLU A 127 -3.961 15.050 -4.264 1.00 0.00 C ATOM 913 O GLU A 127 -4.336 15.617 -3.230 1.00 0.00 O ATOM 914 CB GLU A 127 -6.286 15.312 -5.256 1.00 0.00 C ATOM 915 CG GLU A 127 -7.176 15.470 -6.482 1.00 0.00 C ATOM 916 CD GLU A 127 -6.938 16.753 -7.229 1.00 0.00 C ATOM 917 OE1 GLU A 127 -5.951 16.852 -7.986 1.00 0.00 O ATOM 918 OE2 GLU A 127 -7.738 17.691 -7.076 1.00 0.00 O ATOM 0 H GLU A 127 -4.125 14.293 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.436 16.072 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.609 14.433 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.430 16.174 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -7.008 14.629 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -8.220 15.426 -6.172 1.00 0.00 H new ATOM 925 N GLY A 128 -2.852 14.348 -4.310 1.00 0.00 N ATOM 926 CA GLY A 128 -2.031 14.205 -3.136 1.00 0.00 C ATOM 927 C GLY A 128 -0.814 13.381 -3.420 1.00 0.00 C ATOM 928 O GLY A 128 -0.283 12.731 -2.494 1.00 0.00 O ATOM 929 OXT GLY A 128 -0.385 13.343 -4.590 1.00 0.00 O ATOM 0 H GLY A 128 -2.502 13.872 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.731 15.190 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.610 13.739 -2.339 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -17.123 -5.387 -0.244 1.00 0.00 N HETATM 935 CA 2MR A1129 -17.134 -4.333 0.755 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.736 -4.148 1.342 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.657 -3.091 2.403 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.272 -2.965 2.960 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.335 -2.527 1.939 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.090 -2.202 2.159 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.615 -2.276 3.444 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.291 -1.982 4.009 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.346 -1.838 1.088 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.953 -1.423 0.984 1.00 0.00 C HETATM 945 C 2MR A1129 -17.595 -3.065 0.098 1.00 0.00 C HETATM 946 O 2MR A1129 -18.622 -2.500 0.520 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.946 -2.634 -0.869 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.794 -0.527 1.585 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.307 -2.222 1.347 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.714 -1.208 -0.058 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.545 -2.625 3.542 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.039 -0.938 3.821 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.305 -2.164 5.084 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.847 -1.858 0.200 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -15.970 -2.134 1.986 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.352 -3.331 3.208 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.675 -2.469 0.979 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.272 -2.254 3.786 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -13.951 -3.925 3.365 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.401 -5.096 1.762 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -15.046 -3.894 0.538 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.810 -4.597 1.569 1.00 0.00 H new HETATM 0 H2 2MR A1129 -17.983 -5.635 -0.733 1.00 0.00 H new HETATM 0 H 2MR A1129 -16.255 -5.879 -0.457 1.00 0.00 H new