USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 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 80 MET CE :methyl 145:sc= -0.234 (180deg=-0.946) USER MOD Set 1.2: A 89 CYS SG : rot 27:sc= -0.0176 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 68 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.0766 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -109:sc= 1.3 (180deg=0.654) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= 1.2 (180deg=1.11) USER MOD Single : A 79 CYS SG : rot -14:sc= -2.07! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.17) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.913 K(o=0.91,f=-0.22) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.836 USER MOD Single : A 107 THR OG1 : rot 150:sc= 0.504 USER MOD Single : A 111 TYR OH : rot -135:sc= 0.0653 USER MOD Single : A 113 ASN : amide:sc= -2.32! X(o=-2.3!,f=-2.2) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 121 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.7!) USER MOD Single : A 123 LYS NZ :NH3+ -107:sc= 1.45 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 8.817 -9.485 -2.773 1.00 0.00 N ATOM 2 CA ALA A 65 8.199 -10.127 -3.926 1.00 0.00 C ATOM 3 C ALA A 65 9.200 -10.162 -5.077 1.00 0.00 C ATOM 4 O ALA A 65 10.386 -9.872 -4.874 1.00 0.00 O ATOM 5 CB ALA A 65 6.933 -9.387 -4.320 1.00 0.00 C ATOM 0 HA ALA A 65 7.920 -11.150 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.480 -9.875 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.231 -9.398 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.178 -8.356 -4.574 1.00 0.00 H new ATOM 13 N SER A 66 8.744 -10.515 -6.267 1.00 0.00 N ATOM 14 CA SER A 66 9.614 -10.617 -7.417 1.00 0.00 C ATOM 15 C SER A 66 10.002 -9.232 -7.927 1.00 0.00 C ATOM 16 O SER A 66 11.190 -8.929 -8.104 1.00 0.00 O ATOM 17 CB SER A 66 8.897 -11.385 -8.516 1.00 0.00 C ATOM 18 OG SER A 66 8.380 -12.615 -8.008 1.00 0.00 O ATOM 0 H SER A 66 7.767 -10.737 -6.458 1.00 0.00 H new ATOM 0 HA SER A 66 10.524 -11.142 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.085 -10.781 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.585 -11.584 -9.338 1.00 0.00 H new ATOM 0 HG SER A 66 7.920 -13.098 -8.726 1.00 0.00 H new ATOM 24 N THR A 67 9.006 -8.399 -8.134 1.00 0.00 N ATOM 25 CA THR A 67 9.200 -7.082 -8.676 1.00 0.00 C ATOM 26 C THR A 67 9.944 -6.186 -7.671 1.00 0.00 C ATOM 27 O THR A 67 9.572 -6.116 -6.489 1.00 0.00 O ATOM 28 CB THR A 67 7.834 -6.466 -9.005 1.00 0.00 C ATOM 29 OG1 THR A 67 7.025 -7.455 -9.664 1.00 0.00 O ATOM 30 CG2 THR A 67 7.992 -5.278 -9.926 1.00 0.00 C ATOM 0 H THR A 67 8.033 -8.623 -7.928 1.00 0.00 H new ATOM 0 HA THR A 67 9.801 -7.157 -9.582 1.00 0.00 H new ATOM 0 HB THR A 67 7.365 -6.136 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.149 -7.072 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.012 -4.856 -10.147 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.612 -4.523 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.467 -5.597 -10.854 1.00 0.00 H new ATOM 38 N GLN A 68 10.999 -5.552 -8.130 1.00 0.00 N ATOM 39 CA GLN A 68 11.755 -4.646 -7.305 1.00 0.00 C ATOM 40 C GLN A 68 11.078 -3.296 -7.330 1.00 0.00 C ATOM 41 O GLN A 68 10.799 -2.767 -8.408 1.00 0.00 O ATOM 42 CB GLN A 68 13.207 -4.540 -7.792 1.00 0.00 C ATOM 43 CG GLN A 68 13.971 -5.854 -7.712 1.00 0.00 C ATOM 44 CD GLN A 68 14.023 -6.432 -6.303 1.00 0.00 C ATOM 45 OE1 GLN A 68 14.042 -7.657 -6.129 1.00 0.00 O ATOM 46 NE2 GLN A 68 14.110 -5.584 -5.302 1.00 0.00 N ATOM 0 H GLN A 68 11.353 -5.651 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 68 11.786 -5.022 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.211 -4.189 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.728 -3.789 -7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.505 -6.579 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.988 -5.698 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 68 14.091 -4.580 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.196 -5.930 -4.346 1.00 0.00 H new ATOM 55 N PRO A 69 10.771 -2.728 -6.167 1.00 0.00 N ATOM 56 CA PRO A 69 10.059 -1.474 -6.098 1.00 0.00 C ATOM 57 C PRO A 69 10.905 -0.298 -6.559 1.00 0.00 C ATOM 58 O PRO A 69 12.074 -0.160 -6.183 1.00 0.00 O ATOM 59 CB PRO A 69 9.715 -1.327 -4.616 1.00 0.00 C ATOM 60 CG PRO A 69 10.753 -2.122 -3.906 1.00 0.00 C ATOM 61 CD PRO A 69 11.103 -3.256 -4.827 1.00 0.00 C ATOM 0 HA PRO A 69 9.187 -1.475 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.736 -0.282 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.714 -1.702 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.629 -1.512 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.376 -2.494 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.157 -3.524 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.529 -4.153 -4.595 1.00 0.00 H new ATOM 69 N THR A 70 10.324 0.531 -7.371 1.00 0.00 N ATOM 70 CA THR A 70 10.992 1.723 -7.809 1.00 0.00 C ATOM 71 C THR A 70 10.339 2.927 -7.127 1.00 0.00 C ATOM 72 O THR A 70 10.823 4.057 -7.200 1.00 0.00 O ATOM 73 CB THR A 70 10.966 1.862 -9.371 1.00 0.00 C ATOM 74 OG1 THR A 70 11.808 2.951 -9.802 1.00 0.00 O ATOM 75 CG2 THR A 70 9.544 2.077 -9.896 1.00 0.00 C ATOM 0 H THR A 70 9.384 0.405 -7.747 1.00 0.00 H new ATOM 0 HA THR A 70 12.043 1.671 -7.526 1.00 0.00 H new ATOM 0 HB THR A 70 11.347 0.927 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.734 3.693 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.567 2.169 -10.982 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.921 1.227 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.130 2.988 -9.464 1.00 0.00 H new ATOM 83 N HIS A 71 9.259 2.655 -6.429 1.00 0.00 N ATOM 84 CA HIS A 71 8.507 3.676 -5.747 1.00 0.00 C ATOM 85 C HIS A 71 9.125 3.965 -4.398 1.00 0.00 C ATOM 86 O HIS A 71 9.395 3.042 -3.616 1.00 0.00 O ATOM 87 CB HIS A 71 7.047 3.254 -5.566 1.00 0.00 C ATOM 88 CG HIS A 71 6.257 3.120 -6.832 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.492 4.128 -7.361 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.110 2.064 -7.661 1.00 0.00 C ATOM 91 CE1 HIS A 71 4.914 3.672 -8.472 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.259 2.416 -8.704 1.00 0.00 N ATOM 0 H HIS A 71 8.879 1.715 -6.320 1.00 0.00 H new ATOM 0 HA HIS A 71 8.533 4.579 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.025 2.299 -5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.552 3.983 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.579 1.099 -7.534 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.252 4.251 -9.099 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.963 1.829 -9.484 1.00 0.00 H new ATOM 100 N SER A 72 9.389 5.209 -4.150 1.00 0.00 N ATOM 101 CA SER A 72 9.929 5.645 -2.897 1.00 0.00 C ATOM 102 C SER A 72 8.792 6.267 -2.083 1.00 0.00 C ATOM 103 O SER A 72 8.215 7.277 -2.484 1.00 0.00 O ATOM 104 CB SER A 72 11.046 6.651 -3.163 1.00 0.00 C ATOM 105 OG SER A 72 12.000 6.098 -4.087 1.00 0.00 O ATOM 0 H SER A 72 9.234 5.962 -4.820 1.00 0.00 H new ATOM 0 HA SER A 72 10.353 4.814 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.627 7.572 -3.568 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.542 6.911 -2.228 1.00 0.00 H new ATOM 0 HG SER A 72 12.712 6.751 -4.253 1.00 0.00 H new ATOM 111 N TRP A 73 8.447 5.639 -0.988 1.00 0.00 N ATOM 112 CA TRP A 73 7.315 6.050 -0.178 1.00 0.00 C ATOM 113 C TRP A 73 7.738 6.485 1.200 1.00 0.00 C ATOM 114 O TRP A 73 8.765 6.036 1.701 1.00 0.00 O ATOM 115 CB TRP A 73 6.316 4.918 -0.057 1.00 0.00 C ATOM 116 CG TRP A 73 5.615 4.595 -1.327 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.836 3.532 -2.140 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.578 5.360 -1.937 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.984 3.575 -3.206 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.210 4.693 -3.111 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.923 6.547 -1.599 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.218 5.165 -3.948 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.939 7.013 -2.434 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.599 6.326 -3.595 1.00 0.00 C ATOM 0 H TRP A 73 8.942 4.824 -0.626 1.00 0.00 H new ATOM 0 HA TRP A 73 6.854 6.901 -0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.833 4.027 0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.576 5.179 0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.577 2.765 -1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.935 2.882 -3.953 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.185 7.086 -0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.944 4.634 -4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.420 7.927 -2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.824 6.724 -4.233 1.00 0.00 H new ATOM 135 N LYS A 74 6.969 7.374 1.808 1.00 0.00 N ATOM 136 CA LYS A 74 7.248 7.810 3.152 1.00 0.00 C ATOM 137 C LYS A 74 6.019 7.728 4.050 1.00 0.00 C ATOM 138 O LYS A 74 4.881 7.683 3.577 1.00 0.00 O ATOM 139 CB LYS A 74 7.830 9.213 3.195 1.00 0.00 C ATOM 140 CG LYS A 74 6.961 10.289 2.574 1.00 0.00 C ATOM 141 CD LYS A 74 7.483 11.669 2.943 1.00 0.00 C ATOM 142 CE LYS A 74 7.017 12.069 4.347 1.00 0.00 C ATOM 143 NZ LYS A 74 5.611 12.524 4.333 1.00 0.00 N ATOM 0 H LYS A 74 6.147 7.804 1.385 1.00 0.00 H new ATOM 0 HA LYS A 74 7.999 7.120 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.022 9.478 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.793 9.206 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.949 10.175 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.932 10.178 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.572 11.674 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.133 12.402 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.121 11.220 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.656 12.864 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.577 13.551 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.183 12.301 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.082 12.041 5.087 1.00 0.00 H new ATOM 157 N VAL A 75 6.277 7.690 5.338 1.00 0.00 N ATOM 158 CA VAL A 75 5.254 7.649 6.368 1.00 0.00 C ATOM 159 C VAL A 75 4.407 8.928 6.344 1.00 0.00 C ATOM 160 O VAL A 75 4.946 10.039 6.192 1.00 0.00 O ATOM 161 CB VAL A 75 5.916 7.482 7.765 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.902 7.616 8.893 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.617 6.138 7.853 1.00 0.00 C ATOM 0 H VAL A 75 7.226 7.687 5.711 1.00 0.00 H new ATOM 0 HA VAL A 75 4.602 6.798 6.172 1.00 0.00 H new ATOM 0 HB VAL A 75 6.647 8.282 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.406 7.493 9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.439 8.602 8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.135 6.850 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.077 6.031 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.891 5.339 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.387 6.078 7.083 1.00 0.00 H new ATOM 173 N GLY A 76 3.106 8.772 6.470 1.00 0.00 N ATOM 174 CA GLY A 76 2.222 9.913 6.511 1.00 0.00 C ATOM 175 C GLY A 76 1.755 10.317 5.144 1.00 0.00 C ATOM 176 O GLY A 76 1.164 11.386 4.965 1.00 0.00 O ATOM 0 H GLY A 76 2.640 7.868 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.359 9.679 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.736 10.752 6.980 1.00 0.00 H new ATOM 180 N ASP A 77 2.034 9.489 4.174 1.00 0.00 N ATOM 181 CA ASP A 77 1.626 9.764 2.827 1.00 0.00 C ATOM 182 C ASP A 77 0.523 8.899 2.370 1.00 0.00 C ATOM 183 O ASP A 77 0.352 7.770 2.847 1.00 0.00 O ATOM 184 CB ASP A 77 2.777 9.700 1.858 1.00 0.00 C ATOM 185 CG ASP A 77 3.326 11.060 1.607 1.00 0.00 C ATOM 186 OD1 ASP A 77 4.157 11.545 2.384 1.00 0.00 O ATOM 187 OD2 ASP A 77 2.889 11.697 0.633 1.00 0.00 O ATOM 0 H ASP A 77 2.545 8.614 4.295 1.00 0.00 H new ATOM 0 HA ASP A 77 1.251 10.787 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.559 9.054 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.445 9.257 0.919 1.00 0.00 H new ATOM 192 N LYS A 78 -0.212 9.417 1.431 1.00 0.00 N ATOM 193 CA LYS A 78 -1.313 8.735 0.862 1.00 0.00 C ATOM 194 C LYS A 78 -0.818 7.979 -0.331 1.00 0.00 C ATOM 195 O LYS A 78 0.019 8.471 -1.106 1.00 0.00 O ATOM 196 CB LYS A 78 -2.396 9.707 0.394 1.00 0.00 C ATOM 197 CG LYS A 78 -2.927 10.660 1.440 1.00 0.00 C ATOM 198 CD LYS A 78 -3.683 9.972 2.565 1.00 0.00 C ATOM 199 CE LYS A 78 -4.323 11.031 3.461 1.00 0.00 C ATOM 200 NZ LYS A 78 -4.966 10.474 4.667 1.00 0.00 N ATOM 0 H LYS A 78 -0.051 10.345 1.038 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.744 8.076 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.997 10.293 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.231 9.128 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.094 11.221 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.587 11.382 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.449 9.314 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.005 9.348 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.560 11.748 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.066 11.582 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.765 11.079 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.312 9.514 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.275 10.436 5.443 1.00 0.00 H new ATOM 214 N CYS A 79 -1.297 6.821 -0.448 1.00 0.00 N ATOM 215 CA CYS A 79 -1.003 5.955 -1.533 1.00 0.00 C ATOM 216 C CYS A 79 -2.235 5.156 -1.840 1.00 0.00 C ATOM 217 O CYS A 79 -3.268 5.318 -1.192 1.00 0.00 O ATOM 218 CB CYS A 79 0.136 5.018 -1.158 1.00 0.00 C ATOM 219 SG CYS A 79 -0.157 4.057 0.355 1.00 0.00 S ATOM 0 H CYS A 79 -1.938 6.415 0.234 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.701 6.536 -2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.312 4.329 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.047 5.604 -1.032 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.166 4.561 1.001 1.00 0.00 H new ATOM 225 N MET A 80 -2.161 4.346 -2.824 1.00 0.00 N ATOM 226 CA MET A 80 -3.215 3.451 -3.117 1.00 0.00 C ATOM 227 C MET A 80 -2.649 2.089 -3.012 1.00 0.00 C ATOM 228 O MET A 80 -1.604 1.820 -3.583 1.00 0.00 O ATOM 229 CB MET A 80 -3.771 3.675 -4.505 1.00 0.00 C ATOM 230 CG MET A 80 -4.146 5.108 -4.781 1.00 0.00 C ATOM 231 SD MET A 80 -5.028 5.295 -6.318 1.00 0.00 S ATOM 232 CE MET A 80 -6.555 4.476 -5.871 1.00 0.00 C ATOM 0 H MET A 80 -1.362 4.283 -3.455 1.00 0.00 H new ATOM 0 HA MET A 80 -4.041 3.603 -2.422 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.032 3.354 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.650 3.045 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.762 5.483 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.243 5.719 -4.806 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.392 4.974 -6.361 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.516 3.434 -6.190 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.689 4.520 -4.790 1.00 0.00 H new ATOM 242 N ALA A 81 -3.300 1.253 -2.296 1.00 0.00 N ATOM 243 CA ALA A 81 -2.819 -0.064 -2.057 1.00 0.00 C ATOM 244 C ALA A 81 -3.783 -1.046 -2.613 1.00 0.00 C ATOM 245 O ALA A 81 -4.976 -0.760 -2.714 1.00 0.00 O ATOM 246 CB ALA A 81 -2.666 -0.294 -0.572 1.00 0.00 C ATOM 0 H ALA A 81 -4.194 1.461 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.849 -0.187 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.297 -1.305 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.958 0.427 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.632 -0.170 -0.083 1.00 0.00 H new ATOM 252 N VAL A 82 -3.286 -2.173 -2.992 1.00 0.00 N ATOM 253 CA VAL A 82 -4.116 -3.229 -3.480 1.00 0.00 C ATOM 254 C VAL A 82 -4.564 -4.028 -2.283 1.00 0.00 C ATOM 255 O VAL A 82 -3.743 -4.616 -1.597 1.00 0.00 O ATOM 256 CB VAL A 82 -3.347 -4.145 -4.477 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.244 -5.256 -5.008 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.779 -3.330 -5.633 1.00 0.00 C ATOM 0 H VAL A 82 -2.290 -2.392 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.966 -2.814 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.521 -4.603 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.680 -5.879 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.598 -5.866 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.098 -4.818 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.246 -3.991 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.593 -2.837 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.091 -2.578 -5.245 1.00 0.00 H new ATOM 268 N TRP A 83 -5.850 -3.993 -2.014 1.00 0.00 N ATOM 269 CA TRP A 83 -6.425 -4.665 -0.883 1.00 0.00 C ATOM 270 C TRP A 83 -6.276 -6.143 -1.076 1.00 0.00 C ATOM 271 O TRP A 83 -6.846 -6.711 -2.001 1.00 0.00 O ATOM 272 CB TRP A 83 -7.908 -4.292 -0.733 1.00 0.00 C ATOM 273 CG TRP A 83 -8.508 -4.684 0.593 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.859 -4.752 1.779 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.873 -5.009 0.878 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.703 -5.113 2.772 1.00 0.00 N ATOM 277 CE2 TRP A 83 -9.950 -5.276 2.257 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.032 -5.109 0.116 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.130 -5.636 2.882 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.209 -5.469 0.746 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.240 -5.727 2.118 1.00 0.00 C ATOM 0 H TRP A 83 -6.529 -3.490 -2.585 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.908 -4.359 0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.016 -3.215 -0.865 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.475 -4.770 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.808 -4.546 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.445 -5.242 3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.013 -4.910 -0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.163 -5.837 3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.118 -5.552 0.168 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.175 -6.006 2.580 1.00 0.00 H new ATOM 292 N SER A 84 -5.534 -6.749 -0.202 1.00 0.00 N ATOM 293 CA SER A 84 -5.208 -8.161 -0.249 1.00 0.00 C ATOM 294 C SER A 84 -6.474 -9.047 -0.143 1.00 0.00 C ATOM 295 O SER A 84 -6.447 -10.240 -0.454 1.00 0.00 O ATOM 296 CB SER A 84 -4.159 -8.474 0.845 1.00 0.00 C ATOM 297 OG SER A 84 -3.764 -9.839 0.863 1.00 0.00 O ATOM 0 H SER A 84 -5.119 -6.267 0.596 1.00 0.00 H new ATOM 0 HA SER A 84 -4.771 -8.400 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.280 -7.849 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.568 -8.207 1.819 1.00 0.00 H new ATOM 0 HG SER A 84 -3.101 -9.978 1.571 1.00 0.00 H new ATOM 303 N GLU A 85 -7.573 -8.460 0.296 1.00 0.00 N ATOM 304 CA GLU A 85 -8.819 -9.183 0.399 1.00 0.00 C ATOM 305 C GLU A 85 -9.557 -9.214 -0.939 1.00 0.00 C ATOM 306 O GLU A 85 -10.100 -10.242 -1.326 1.00 0.00 O ATOM 307 CB GLU A 85 -9.723 -8.538 1.423 1.00 0.00 C ATOM 308 CG GLU A 85 -9.205 -8.535 2.846 1.00 0.00 C ATOM 309 CD GLU A 85 -9.209 -9.899 3.476 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.258 -10.319 3.977 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.167 -10.589 3.472 1.00 0.00 O ATOM 0 H GLU A 85 -7.624 -7.483 0.586 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.574 -10.201 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.907 -7.507 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.684 -9.051 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.189 -8.139 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.815 -7.861 3.447 1.00 0.00 H new ATOM 318 N ASP A 86 -9.570 -8.095 -1.654 1.00 0.00 N ATOM 319 CA ASP A 86 -10.399 -8.013 -2.871 1.00 0.00 C ATOM 320 C ASP A 86 -9.560 -8.037 -4.148 1.00 0.00 C ATOM 321 O ASP A 86 -10.043 -8.424 -5.214 1.00 0.00 O ATOM 322 CB ASP A 86 -11.216 -6.714 -2.828 1.00 0.00 C ATOM 323 CG ASP A 86 -12.254 -6.600 -3.917 1.00 0.00 C ATOM 324 OD1 ASP A 86 -11.921 -6.209 -5.038 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.440 -6.888 -3.650 1.00 0.00 O ATOM 0 H ASP A 86 -9.039 -7.253 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.051 -8.886 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.712 -6.642 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.534 -5.867 -2.901 1.00 0.00 H new ATOM 330 N GLY A 87 -8.299 -7.703 -4.027 1.00 0.00 N ATOM 331 CA GLY A 87 -7.420 -7.668 -5.180 1.00 0.00 C ATOM 332 C GLY A 87 -7.532 -6.370 -5.984 1.00 0.00 C ATOM 333 O GLY A 87 -7.061 -6.293 -7.115 1.00 0.00 O ATOM 0 H GLY A 87 -7.854 -7.451 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.390 -7.794 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.651 -8.512 -5.830 1.00 0.00 H new ATOM 337 N GLN A 88 -8.170 -5.365 -5.422 1.00 0.00 N ATOM 338 CA GLN A 88 -8.308 -4.066 -6.097 1.00 0.00 C ATOM 339 C GLN A 88 -7.565 -2.992 -5.342 1.00 0.00 C ATOM 340 O GLN A 88 -7.197 -3.199 -4.196 1.00 0.00 O ATOM 341 CB GLN A 88 -9.767 -3.675 -6.289 1.00 0.00 C ATOM 342 CG GLN A 88 -10.507 -4.488 -7.330 1.00 0.00 C ATOM 343 CD GLN A 88 -9.956 -4.318 -8.736 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.376 -3.431 -9.472 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.040 -5.167 -9.126 1.00 0.00 N ATOM 0 H GLN A 88 -8.605 -5.410 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.866 -4.167 -7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.284 -3.774 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.813 -2.623 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.462 -5.542 -7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.559 -4.201 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.713 -5.893 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.653 -5.103 -10.068 1.00 0.00 H new ATOM 354 N CYS A 89 -7.385 -1.847 -5.948 1.00 0.00 N ATOM 355 CA CYS A 89 -6.633 -0.782 -5.312 1.00 0.00 C ATOM 356 C CYS A 89 -7.550 0.253 -4.688 1.00 0.00 C ATOM 357 O CYS A 89 -8.557 0.662 -5.289 1.00 0.00 O ATOM 358 CB CYS A 89 -5.611 -0.138 -6.264 1.00 0.00 C ATOM 359 SG CYS A 89 -6.301 0.644 -7.737 1.00 0.00 S ATOM 0 H CYS A 89 -7.744 -1.623 -6.876 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.061 -1.240 -4.505 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.045 0.610 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.902 -0.904 -6.579 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.519 1.028 -7.494 1.00 0.00 H new ATOM 365 N TYR A 90 -7.214 0.633 -3.477 1.00 0.00 N ATOM 366 CA TYR A 90 -7.972 1.565 -2.672 1.00 0.00 C ATOM 367 C TYR A 90 -7.011 2.546 -2.022 1.00 0.00 C ATOM 368 O TYR A 90 -5.819 2.251 -1.887 1.00 0.00 O ATOM 369 CB TYR A 90 -8.747 0.817 -1.586 1.00 0.00 C ATOM 370 CG TYR A 90 -9.796 -0.155 -2.101 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.436 -1.415 -2.557 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.139 0.180 -2.112 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.370 -2.304 -3.014 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.088 -0.711 -2.567 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.698 -1.950 -3.019 1.00 0.00 C ATOM 376 OH TYR A 90 -12.637 -2.837 -3.473 1.00 0.00 O ATOM 0 H TYR A 90 -6.376 0.290 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.681 2.097 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.037 0.268 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.235 1.547 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.394 -1.701 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.448 1.153 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.066 -3.278 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.133 -0.437 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.527 -2.432 -3.409 1.00 0.00 H new ATOM 386 N GLU A 91 -7.515 3.682 -1.643 1.00 0.00 N ATOM 387 CA GLU A 91 -6.725 4.744 -1.055 1.00 0.00 C ATOM 388 C GLU A 91 -6.343 4.394 0.393 1.00 0.00 C ATOM 389 O GLU A 91 -7.191 4.018 1.213 1.00 0.00 O ATOM 390 CB GLU A 91 -7.523 6.038 -1.122 1.00 0.00 C ATOM 391 CG GLU A 91 -6.778 7.281 -0.699 1.00 0.00 C ATOM 392 CD GLU A 91 -7.633 8.497 -0.863 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.647 9.088 -1.965 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.340 8.867 0.096 1.00 0.00 O ATOM 0 H GLU A 91 -8.505 3.910 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.796 4.869 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.874 6.176 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.407 5.933 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.468 7.187 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.871 7.386 -1.294 1.00 0.00 H new ATOM 401 N ALA A 92 -5.078 4.508 0.692 1.00 0.00 N ATOM 402 CA ALA A 92 -4.543 4.143 1.984 1.00 0.00 C ATOM 403 C ALA A 92 -3.431 5.082 2.383 1.00 0.00 C ATOM 404 O ALA A 92 -2.808 5.707 1.535 1.00 0.00 O ATOM 405 CB ALA A 92 -4.022 2.729 1.924 1.00 0.00 C ATOM 0 H ALA A 92 -4.377 4.861 0.040 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.336 4.213 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.617 2.449 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.835 2.052 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.237 2.662 1.171 1.00 0.00 H new ATOM 411 N GLU A 93 -3.178 5.189 3.648 1.00 0.00 N ATOM 412 CA GLU A 93 -2.099 6.013 4.114 1.00 0.00 C ATOM 413 C GLU A 93 -1.031 5.136 4.741 1.00 0.00 C ATOM 414 O GLU A 93 -1.349 4.174 5.443 1.00 0.00 O ATOM 415 CB GLU A 93 -2.581 7.060 5.109 1.00 0.00 C ATOM 416 CG GLU A 93 -1.497 8.056 5.475 1.00 0.00 C ATOM 417 CD GLU A 93 -1.934 9.075 6.460 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.868 9.842 6.164 1.00 0.00 O ATOM 419 OE2 GLU A 93 -1.332 9.161 7.540 1.00 0.00 O ATOM 0 H GLU A 93 -3.704 4.716 4.383 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.680 6.547 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.432 7.593 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.933 6.563 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.641 7.516 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.158 8.560 4.570 1.00 0.00 H new ATOM 426 N ILE A 94 0.201 5.444 4.451 1.00 0.00 N ATOM 427 CA ILE A 94 1.339 4.706 4.960 1.00 0.00 C ATOM 428 C ILE A 94 1.621 5.063 6.407 1.00 0.00 C ATOM 429 O ILE A 94 1.906 6.221 6.737 1.00 0.00 O ATOM 430 CB ILE A 94 2.584 4.985 4.124 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.283 4.663 2.675 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.747 4.133 4.632 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.323 5.138 1.717 1.00 0.00 C ATOM 0 H ILE A 94 0.455 6.225 3.846 1.00 0.00 H new ATOM 0 HA ILE A 94 1.092 3.646 4.898 1.00 0.00 H new ATOM 0 HB ILE A 94 2.864 6.035 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.173 3.584 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.326 5.109 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.635 4.335 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.950 4.378 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.487 3.077 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.033 4.868 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.419 6.221 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.279 4.672 1.957 1.00 0.00 H new ATOM 445 N GLU A 95 1.579 4.062 7.231 1.00 0.00 N ATOM 446 CA GLU A 95 1.768 4.191 8.657 1.00 0.00 C ATOM 447 C GLU A 95 3.210 3.847 9.035 1.00 0.00 C ATOM 448 O GLU A 95 3.807 4.468 9.914 1.00 0.00 O ATOM 449 CB GLU A 95 0.819 3.225 9.335 1.00 0.00 C ATOM 450 CG GLU A 95 -0.632 3.441 8.957 1.00 0.00 C ATOM 451 CD GLU A 95 -1.288 4.592 9.671 1.00 0.00 C ATOM 452 OE1 GLU A 95 -0.794 5.733 9.615 1.00 0.00 O ATOM 453 OE2 GLU A 95 -2.342 4.361 10.300 1.00 0.00 O ATOM 0 H GLU A 95 1.408 3.103 6.929 1.00 0.00 H new ATOM 0 HA GLU A 95 1.569 5.215 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.106 2.205 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.924 3.323 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.695 3.611 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.191 2.530 9.169 1.00 0.00 H new ATOM 460 N GLU A 96 3.764 2.867 8.348 1.00 0.00 N ATOM 461 CA GLU A 96 5.107 2.378 8.614 1.00 0.00 C ATOM 462 C GLU A 96 5.631 1.732 7.351 1.00 0.00 C ATOM 463 O GLU A 96 4.852 1.224 6.554 1.00 0.00 O ATOM 464 CB GLU A 96 5.074 1.356 9.775 1.00 0.00 C ATOM 465 CG GLU A 96 6.423 0.752 10.151 1.00 0.00 C ATOM 466 CD GLU A 96 6.329 -0.206 11.309 1.00 0.00 C ATOM 467 OE1 GLU A 96 5.979 -1.393 11.100 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.606 0.209 12.457 1.00 0.00 O ATOM 0 H GLU A 96 3.293 2.383 7.584 1.00 0.00 H new ATOM 0 HA GLU A 96 5.761 3.199 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.655 1.844 10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.395 0.547 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.837 0.232 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.117 1.553 10.403 1.00 0.00 H new ATOM 475 N ILE A 97 6.916 1.782 7.148 1.00 0.00 N ATOM 476 CA ILE A 97 7.524 1.204 5.973 1.00 0.00 C ATOM 477 C ILE A 97 8.569 0.207 6.386 1.00 0.00 C ATOM 478 O ILE A 97 9.480 0.531 7.152 1.00 0.00 O ATOM 479 CB ILE A 97 8.197 2.297 5.125 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.178 3.338 4.752 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.825 1.703 3.858 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.777 4.659 4.472 1.00 0.00 C ATOM 0 H ILE A 97 7.576 2.223 7.789 1.00 0.00 H new ATOM 0 HA ILE A 97 6.746 0.716 5.386 1.00 0.00 H new ATOM 0 HB ILE A 97 8.992 2.754 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.628 3.001 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.455 3.437 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.294 2.498 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.577 0.965 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.051 1.224 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.991 5.367 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.304 5.015 5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.479 4.572 3.643 1.00 0.00 H new ATOM 494 N ASP A 98 8.449 -0.980 5.900 1.00 0.00 N ATOM 495 CA ASP A 98 9.436 -1.987 6.142 1.00 0.00 C ATOM 496 C ASP A 98 10.333 -2.011 4.934 1.00 0.00 C ATOM 497 O ASP A 98 10.050 -2.665 3.924 1.00 0.00 O ATOM 498 CB ASP A 98 8.815 -3.368 6.377 1.00 0.00 C ATOM 499 CG ASP A 98 9.854 -4.426 6.695 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.600 -4.830 5.798 1.00 0.00 O ATOM 501 OD2 ASP A 98 9.932 -4.882 7.859 1.00 0.00 O ATOM 0 H ASP A 98 7.665 -1.285 5.323 1.00 0.00 H new ATOM 0 HA ASP A 98 9.990 -1.750 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.101 -3.307 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.256 -3.667 5.490 1.00 0.00 H new ATOM 506 N GLU A 99 11.369 -1.229 5.004 1.00 0.00 N ATOM 507 CA GLU A 99 12.322 -1.079 3.914 1.00 0.00 C ATOM 508 C GLU A 99 13.094 -2.361 3.654 1.00 0.00 C ATOM 509 O GLU A 99 13.673 -2.546 2.575 1.00 0.00 O ATOM 510 CB GLU A 99 13.272 0.053 4.222 1.00 0.00 C ATOM 511 CG GLU A 99 12.577 1.385 4.416 1.00 0.00 C ATOM 512 CD GLU A 99 13.501 2.428 4.944 1.00 0.00 C ATOM 513 OE1 GLU A 99 13.640 2.529 6.178 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.125 3.159 4.141 1.00 0.00 O ATOM 0 H GLU A 99 11.590 -0.665 5.825 1.00 0.00 H new ATOM 0 HA GLU A 99 11.762 -0.850 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.835 -0.190 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.994 0.143 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.161 1.718 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.741 1.260 5.104 1.00 0.00 H new ATOM 521 N GLU A 100 13.095 -3.238 4.638 1.00 0.00 N ATOM 522 CA GLU A 100 13.819 -4.483 4.587 1.00 0.00 C ATOM 523 C GLU A 100 13.205 -5.402 3.532 1.00 0.00 C ATOM 524 O GLU A 100 13.912 -6.029 2.746 1.00 0.00 O ATOM 525 CB GLU A 100 13.753 -5.137 5.963 1.00 0.00 C ATOM 526 CG GLU A 100 14.732 -6.262 6.176 1.00 0.00 C ATOM 527 CD GLU A 100 16.146 -5.802 6.022 1.00 0.00 C ATOM 528 OE1 GLU A 100 16.626 -5.024 6.875 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.810 -6.215 5.058 1.00 0.00 O ATOM 0 H GLU A 100 12.582 -3.099 5.509 1.00 0.00 H new ATOM 0 HA GLU A 100 14.859 -4.300 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.928 -4.374 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.744 -5.518 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.593 -6.682 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.529 -7.061 5.462 1.00 0.00 H new ATOM 536 N ASN A 101 11.900 -5.455 3.502 1.00 0.00 N ATOM 537 CA ASN A 101 11.185 -6.268 2.514 1.00 0.00 C ATOM 538 C ASN A 101 10.712 -5.414 1.376 1.00 0.00 C ATOM 539 O ASN A 101 10.320 -5.926 0.316 1.00 0.00 O ATOM 540 CB ASN A 101 9.963 -6.937 3.134 1.00 0.00 C ATOM 541 CG ASN A 101 10.287 -7.928 4.216 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.445 -9.122 3.969 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.407 -7.449 5.409 1.00 0.00 N ATOM 0 H ASN A 101 11.295 -4.948 4.147 1.00 0.00 H new ATOM 0 HA ASN A 101 11.881 -7.027 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.311 -6.167 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.402 -7.444 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.641 -8.067 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.268 -6.452 5.575 1.00 0.00 H new ATOM 550 N GLY A 102 10.746 -4.116 1.580 1.00 0.00 N ATOM 551 CA GLY A 102 10.229 -3.210 0.597 1.00 0.00 C ATOM 552 C GLY A 102 8.720 -3.192 0.665 1.00 0.00 C ATOM 553 O GLY A 102 8.034 -3.058 -0.358 1.00 0.00 O ATOM 0 H GLY A 102 11.126 -3.672 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.622 -2.208 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.554 -3.513 -0.398 1.00 0.00 H new ATOM 557 N THR A 103 8.206 -3.367 1.862 1.00 0.00 N ATOM 558 CA THR A 103 6.803 -3.371 2.105 1.00 0.00 C ATOM 559 C THR A 103 6.416 -2.182 2.964 1.00 0.00 C ATOM 560 O THR A 103 7.269 -1.533 3.551 1.00 0.00 O ATOM 561 CB THR A 103 6.374 -4.695 2.773 1.00 0.00 C ATOM 562 OG1 THR A 103 7.242 -4.986 3.878 1.00 0.00 O ATOM 563 CG2 THR A 103 6.416 -5.848 1.788 1.00 0.00 C ATOM 0 H THR A 103 8.770 -3.512 2.699 1.00 0.00 H new ATOM 0 HA THR A 103 6.282 -3.289 1.151 1.00 0.00 H new ATOM 0 HB THR A 103 5.349 -4.577 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.965 -5.826 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.109 -6.766 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.739 -5.643 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.431 -5.965 1.408 1.00 0.00 H new ATOM 571 N ALA A 104 5.165 -1.859 2.987 1.00 0.00 N ATOM 572 CA ALA A 104 4.686 -0.788 3.798 1.00 0.00 C ATOM 573 C ALA A 104 3.395 -1.177 4.455 1.00 0.00 C ATOM 574 O ALA A 104 2.579 -1.898 3.875 1.00 0.00 O ATOM 575 CB ALA A 104 4.503 0.469 2.974 1.00 0.00 C ATOM 0 H ALA A 104 4.444 -2.332 2.442 1.00 0.00 H new ATOM 0 HA ALA A 104 5.426 -0.582 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.137 1.273 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.458 0.760 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.782 0.281 2.179 1.00 0.00 H new ATOM 581 N ALA A 105 3.237 -0.738 5.661 1.00 0.00 N ATOM 582 CA ALA A 105 2.053 -0.953 6.416 1.00 0.00 C ATOM 583 C ALA A 105 1.171 0.235 6.187 1.00 0.00 C ATOM 584 O ALA A 105 1.560 1.385 6.465 1.00 0.00 O ATOM 585 CB ALA A 105 2.388 -1.101 7.875 1.00 0.00 C ATOM 0 H ALA A 105 3.950 -0.205 6.159 1.00 0.00 H new ATOM 0 HA ALA A 105 1.548 -1.868 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.473 -1.265 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.057 -1.951 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.878 -0.194 8.230 1.00 0.00 H new ATOM 591 N ILE A 106 0.029 -0.013 5.664 1.00 0.00 N ATOM 592 CA ILE A 106 -0.850 1.032 5.247 1.00 0.00 C ATOM 593 C ILE A 106 -2.210 0.874 5.891 1.00 0.00 C ATOM 594 O ILE A 106 -2.638 -0.242 6.158 1.00 0.00 O ATOM 595 CB ILE A 106 -0.983 1.012 3.689 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.485 -0.354 3.189 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.316 1.383 3.005 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.949 -0.387 2.932 1.00 0.00 C ATOM 0 H ILE A 106 -0.333 -0.954 5.508 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.435 1.990 5.561 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.723 1.768 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.957 -0.613 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.236 -1.117 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.179 1.356 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.613 2.387 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.093 0.673 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.235 -1.379 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.485 -0.159 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.202 0.352 2.172 1.00 0.00 H new ATOM 610 N THR A 107 -2.871 1.969 6.128 1.00 0.00 N ATOM 611 CA THR A 107 -4.196 1.956 6.671 1.00 0.00 C ATOM 612 C THR A 107 -5.152 2.492 5.619 1.00 0.00 C ATOM 613 O THR A 107 -4.975 3.617 5.123 1.00 0.00 O ATOM 614 CB THR A 107 -4.304 2.799 7.976 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.472 2.237 9.014 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.739 2.864 8.473 1.00 0.00 C ATOM 0 H THR A 107 -2.502 2.903 5.948 1.00 0.00 H new ATOM 0 HA THR A 107 -4.453 0.931 6.936 1.00 0.00 H new ATOM 0 HB THR A 107 -3.965 3.808 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.164 2.952 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.782 3.459 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.368 3.323 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.098 1.856 8.680 1.00 0.00 H new ATOM 624 N PHE A 108 -6.135 1.695 5.276 1.00 0.00 N ATOM 625 CA PHE A 108 -7.113 2.048 4.278 1.00 0.00 C ATOM 626 C PHE A 108 -7.982 3.177 4.738 1.00 0.00 C ATOM 627 O PHE A 108 -8.656 3.072 5.776 1.00 0.00 O ATOM 628 CB PHE A 108 -7.944 0.845 3.870 1.00 0.00 C ATOM 629 CG PHE A 108 -7.164 -0.146 3.074 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.903 0.111 1.742 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.685 -1.322 3.644 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.180 -0.774 0.978 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.960 -2.217 2.882 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.704 -1.941 1.546 1.00 0.00 C ATOM 0 H PHE A 108 -6.279 0.773 5.687 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.571 2.390 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.337 0.360 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.801 1.181 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.273 1.021 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.881 -1.535 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.985 -0.558 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.593 -3.131 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.133 -2.638 0.950 1.00 0.00 H new ATOM 644 N ALA A 109 -7.971 4.239 3.960 1.00 0.00 N ATOM 645 CA ALA A 109 -8.671 5.457 4.276 1.00 0.00 C ATOM 646 C ALA A 109 -10.162 5.231 4.310 1.00 0.00 C ATOM 647 O ALA A 109 -10.748 4.675 3.369 1.00 0.00 O ATOM 648 CB ALA A 109 -8.314 6.547 3.274 1.00 0.00 C ATOM 0 H ALA A 109 -7.465 4.276 3.075 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.360 5.782 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.850 7.462 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.241 6.735 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.595 6.225 2.271 1.00 0.00 H new ATOM 654 N GLY A 110 -10.762 5.588 5.408 1.00 0.00 N ATOM 655 CA GLY A 110 -12.180 5.478 5.546 1.00 0.00 C ATOM 656 C GLY A 110 -12.603 4.172 6.164 1.00 0.00 C ATOM 657 O GLY A 110 -13.382 4.162 7.119 1.00 0.00 O ATOM 0 H GLY A 110 -10.283 5.961 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.546 6.301 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.645 5.579 4.566 1.00 0.00 H new ATOM 661 N TYR A 111 -12.110 3.073 5.623 1.00 0.00 N ATOM 662 CA TYR A 111 -12.457 1.758 6.110 1.00 0.00 C ATOM 663 C TYR A 111 -11.772 1.478 7.447 1.00 0.00 C ATOM 664 O TYR A 111 -12.415 1.059 8.409 1.00 0.00 O ATOM 665 CB TYR A 111 -12.052 0.709 5.106 1.00 0.00 C ATOM 666 CG TYR A 111 -12.556 0.939 3.704 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.837 0.578 3.340 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.720 1.477 2.732 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.281 0.745 2.049 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.150 1.656 1.439 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.439 1.283 1.098 1.00 0.00 C ATOM 672 OH TYR A 111 -13.894 1.446 -0.198 1.00 0.00 O ATOM 0 H TYR A 111 -11.460 3.070 4.837 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.537 1.723 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -10.964 0.654 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.412 -0.260 5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.501 0.158 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.712 1.760 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.286 0.456 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.490 2.083 0.698 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.212 1.129 -0.826 1.00 0.00 H new ATOM 682 N GLY A 112 -10.477 1.713 7.511 1.00 0.00 N ATOM 683 CA GLY A 112 -9.766 1.534 8.760 1.00 0.00 C ATOM 684 C GLY A 112 -9.033 0.208 8.906 1.00 0.00 C ATOM 685 O GLY A 112 -8.743 -0.213 10.033 1.00 0.00 O ATOM 0 H GLY A 112 -9.903 2.023 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.044 2.343 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.477 1.630 9.581 1.00 0.00 H new ATOM 689 N ASN A 113 -8.730 -0.465 7.811 1.00 0.00 N ATOM 690 CA ASN A 113 -7.937 -1.698 7.920 1.00 0.00 C ATOM 691 C ASN A 113 -6.518 -1.378 7.655 1.00 0.00 C ATOM 692 O ASN A 113 -6.220 -0.324 7.099 1.00 0.00 O ATOM 693 CB ASN A 113 -8.350 -2.820 6.967 1.00 0.00 C ATOM 694 CG ASN A 113 -9.691 -3.433 7.243 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.191 -3.406 8.358 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.235 -4.056 6.249 1.00 0.00 N ATOM 0 H ASN A 113 -9.004 -0.201 6.865 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.110 -2.068 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.350 -2.429 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.595 -3.605 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.117 -4.551 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.782 -4.052 5.335 1.00 0.00 H new ATOM 703 N ALA A 114 -5.647 -2.267 8.004 1.00 0.00 N ATOM 704 CA ALA A 114 -4.248 -2.058 7.801 1.00 0.00 C ATOM 705 C ALA A 114 -3.610 -3.329 7.331 1.00 0.00 C ATOM 706 O ALA A 114 -3.876 -4.403 7.889 1.00 0.00 O ATOM 707 CB ALA A 114 -3.579 -1.571 9.078 1.00 0.00 C ATOM 0 H ALA A 114 -5.883 -3.159 8.438 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.119 -1.289 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.515 -1.420 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.031 -0.630 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.711 -2.314 9.864 1.00 0.00 H new ATOM 713 N GLU A 115 -2.799 -3.232 6.317 1.00 0.00 N ATOM 714 CA GLU A 115 -2.104 -4.377 5.819 1.00 0.00 C ATOM 715 C GLU A 115 -0.699 -3.987 5.449 1.00 0.00 C ATOM 716 O GLU A 115 -0.404 -2.797 5.275 1.00 0.00 O ATOM 717 CB GLU A 115 -2.816 -5.030 4.618 1.00 0.00 C ATOM 718 CG GLU A 115 -2.803 -4.265 3.308 1.00 0.00 C ATOM 719 CD GLU A 115 -3.206 -5.170 2.160 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.417 -5.451 1.981 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.300 -5.677 1.459 1.00 0.00 O ATOM 0 H GLU A 115 -2.604 -2.364 5.818 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.087 -5.124 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.362 -6.005 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.855 -5.207 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.486 -3.418 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.808 -3.859 3.127 1.00 0.00 H new ATOM 728 N VAL A 116 0.164 -4.956 5.370 1.00 0.00 N ATOM 729 CA VAL A 116 1.507 -4.729 4.951 1.00 0.00 C ATOM 730 C VAL A 116 1.606 -5.181 3.508 1.00 0.00 C ATOM 731 O VAL A 116 1.499 -6.378 3.200 1.00 0.00 O ATOM 732 CB VAL A 116 2.535 -5.478 5.839 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.951 -5.150 5.408 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.338 -5.125 7.305 1.00 0.00 C ATOM 0 H VAL A 116 -0.048 -5.928 5.596 1.00 0.00 H new ATOM 0 HA VAL A 116 1.748 -3.670 5.048 1.00 0.00 H new ATOM 0 HB VAL A 116 2.372 -6.549 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.658 -5.685 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.095 -5.452 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.120 -4.077 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.069 -5.661 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.471 -4.052 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.332 -5.409 7.616 1.00 0.00 H new ATOM 744 N THR A 117 1.762 -4.238 2.645 1.00 0.00 N ATOM 745 CA THR A 117 1.749 -4.468 1.224 1.00 0.00 C ATOM 746 C THR A 117 3.037 -3.902 0.609 1.00 0.00 C ATOM 747 O THR A 117 3.556 -2.895 1.090 1.00 0.00 O ATOM 748 CB THR A 117 0.468 -3.839 0.573 1.00 0.00 C ATOM 749 OG1 THR A 117 0.355 -4.195 -0.814 1.00 0.00 O ATOM 750 CG2 THR A 117 0.462 -2.327 0.711 1.00 0.00 C ATOM 0 H THR A 117 1.906 -3.262 2.903 1.00 0.00 H new ATOM 0 HA THR A 117 1.713 -5.539 1.026 1.00 0.00 H new ATOM 0 HB THR A 117 -0.390 -4.244 1.110 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.454 -3.790 -1.191 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.439 -1.923 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.481 -2.058 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.340 -1.913 0.216 1.00 0.00 H new ATOM 758 N PRO A 118 3.629 -4.591 -0.376 1.00 0.00 N ATOM 759 CA PRO A 118 4.860 -4.143 -1.016 1.00 0.00 C ATOM 760 C PRO A 118 4.703 -2.774 -1.682 1.00 0.00 C ATOM 761 O PRO A 118 3.629 -2.439 -2.188 1.00 0.00 O ATOM 762 CB PRO A 118 5.137 -5.216 -2.068 1.00 0.00 C ATOM 763 CG PRO A 118 3.845 -5.888 -2.284 1.00 0.00 C ATOM 764 CD PRO A 118 3.120 -5.827 -0.980 1.00 0.00 C ATOM 0 HA PRO A 118 5.667 -4.022 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.510 -4.774 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.894 -5.920 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.275 -5.392 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.992 -6.921 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.040 -5.792 -1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.333 -6.697 -0.359 1.00 0.00 H new ATOM 772 N LEU A 119 5.780 -2.000 -1.682 1.00 0.00 N ATOM 773 CA LEU A 119 5.829 -0.660 -2.294 1.00 0.00 C ATOM 774 C LEU A 119 5.446 -0.712 -3.767 1.00 0.00 C ATOM 775 O LEU A 119 4.971 0.270 -4.325 1.00 0.00 O ATOM 776 CB LEU A 119 7.231 -0.052 -2.153 1.00 0.00 C ATOM 777 CG LEU A 119 7.790 0.063 -0.732 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.175 0.691 -0.748 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.855 0.846 0.173 1.00 0.00 C ATOM 0 H LEU A 119 6.662 -2.281 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 119 5.109 -0.034 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.923 -0.652 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.216 0.944 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 119 7.873 -0.946 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.554 0.763 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.848 0.073 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.117 1.688 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.284 0.908 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.719 1.851 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.890 0.342 0.222 1.00 0.00 H new ATOM 791 N LEU A 120 5.671 -1.866 -4.379 1.00 0.00 N ATOM 792 CA LEU A 120 5.334 -2.102 -5.775 1.00 0.00 C ATOM 793 C LEU A 120 3.800 -2.036 -5.972 1.00 0.00 C ATOM 794 O LEU A 120 3.304 -1.665 -7.032 1.00 0.00 O ATOM 795 CB LEU A 120 5.909 -3.478 -6.205 1.00 0.00 C ATOM 796 CG LEU A 120 5.125 -4.732 -5.795 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.120 -5.088 -6.867 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.048 -5.897 -5.500 1.00 0.00 C ATOM 0 H LEU A 120 6.096 -2.670 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 120 5.775 -1.329 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.002 -3.479 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.917 -3.563 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 120 4.588 -4.511 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.568 -5.979 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.425 -4.260 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.641 -5.282 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.456 -6.766 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.632 -6.133 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.721 -5.631 -4.685 1.00 0.00 H new ATOM 810 N ASN A 121 3.075 -2.384 -4.923 1.00 0.00 N ATOM 811 CA ASN A 121 1.615 -2.412 -4.944 1.00 0.00 C ATOM 812 C ASN A 121 1.034 -1.091 -4.534 1.00 0.00 C ATOM 813 O ASN A 121 -0.186 -0.910 -4.545 1.00 0.00 O ATOM 814 CB ASN A 121 1.050 -3.535 -4.049 1.00 0.00 C ATOM 815 CG ASN A 121 1.056 -4.899 -4.698 1.00 0.00 C ATOM 816 OD1 ASN A 121 0.968 -5.032 -5.919 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.103 -5.923 -3.892 1.00 0.00 N ATOM 0 H ASN A 121 3.480 -2.657 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 121 1.323 -2.616 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.632 -3.579 -3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.028 -3.282 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.067 -6.870 -4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.176 -5.777 -2.885 1.00 0.00 H new ATOM 824 N LEU A 122 1.888 -0.172 -4.154 1.00 0.00 N ATOM 825 CA LEU A 122 1.438 1.128 -3.794 1.00 0.00 C ATOM 826 C LEU A 122 1.504 2.032 -4.987 1.00 0.00 C ATOM 827 O LEU A 122 2.516 2.092 -5.696 1.00 0.00 O ATOM 828 CB LEU A 122 2.268 1.697 -2.654 1.00 0.00 C ATOM 829 CG LEU A 122 2.201 0.949 -1.339 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.047 1.651 -0.300 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.768 0.838 -0.866 1.00 0.00 C ATOM 0 H LEU A 122 2.896 -0.311 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 122 0.405 1.056 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.309 1.734 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.951 2.725 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 122 2.592 -0.058 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.993 1.106 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.082 1.688 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.676 2.666 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.738 0.298 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.352 1.836 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.180 0.300 -1.610 1.00 0.00 H new ATOM 843 N LYS A 123 0.432 2.708 -5.224 1.00 0.00 N ATOM 844 CA LYS A 123 0.352 3.640 -6.315 1.00 0.00 C ATOM 845 C LYS A 123 0.167 5.013 -5.756 1.00 0.00 C ATOM 846 O LYS A 123 -0.281 5.146 -4.614 1.00 0.00 O ATOM 847 CB LYS A 123 -0.829 3.343 -7.252 1.00 0.00 C ATOM 848 CG LYS A 123 -0.907 1.936 -7.780 1.00 0.00 C ATOM 849 CD LYS A 123 -1.784 1.826 -9.042 1.00 0.00 C ATOM 850 CE LYS A 123 -3.256 2.286 -8.871 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.426 3.771 -8.853 1.00 0.00 N ATOM 0 H LYS A 123 -0.421 2.635 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 123 1.273 3.555 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.755 3.564 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.777 4.027 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.098 1.581 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.308 1.282 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.326 2.417 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.782 0.789 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.853 1.871 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.650 1.873 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.640 4.084 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.549 4.225 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.208 4.039 -9.484 1.00 0.00 H new ATOM 865 N PRO A 124 0.497 6.055 -6.511 1.00 0.00 N ATOM 866 CA PRO A 124 0.170 7.406 -6.112 1.00 0.00 C ATOM 867 C PRO A 124 -1.342 7.581 -6.191 1.00 0.00 C ATOM 868 O PRO A 124 -2.013 6.889 -6.975 1.00 0.00 O ATOM 869 CB PRO A 124 0.897 8.286 -7.134 1.00 0.00 C ATOM 870 CG PRO A 124 1.123 7.412 -8.316 1.00 0.00 C ATOM 871 CD PRO A 124 1.211 6.004 -7.802 1.00 0.00 C ATOM 0 HA PRO A 124 0.468 7.657 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.298 9.158 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.840 8.657 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.308 7.512 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.040 7.692 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.745 5.298 -8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.247 5.689 -7.674 1.00 0.00 H new ATOM 879 N VAL A 125 -1.881 8.425 -5.356 1.00 0.00 N ATOM 880 CA VAL A 125 -3.314 8.622 -5.324 1.00 0.00 C ATOM 881 C VAL A 125 -3.836 9.282 -6.588 1.00 0.00 C ATOM 882 O VAL A 125 -3.452 10.399 -6.946 1.00 0.00 O ATOM 883 CB VAL A 125 -3.806 9.365 -4.065 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.582 8.512 -2.832 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.124 10.718 -3.917 1.00 0.00 C ATOM 0 H VAL A 125 -1.356 8.989 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.736 7.618 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.875 9.547 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.933 9.048 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.133 7.577 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.519 8.297 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.493 11.215 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -2.046 10.575 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.343 11.333 -4.789 1.00 0.00 H new ATOM 895 N GLU A 126 -4.711 8.584 -7.261 1.00 0.00 N ATOM 896 CA GLU A 126 -5.283 9.073 -8.502 1.00 0.00 C ATOM 897 C GLU A 126 -6.638 9.693 -8.235 1.00 0.00 C ATOM 898 O GLU A 126 -7.467 9.834 -9.133 1.00 0.00 O ATOM 899 CB GLU A 126 -5.379 7.947 -9.540 1.00 0.00 C ATOM 900 CG GLU A 126 -6.248 6.774 -9.082 1.00 0.00 C ATOM 901 CD GLU A 126 -6.380 5.679 -10.108 1.00 0.00 C ATOM 902 OE1 GLU A 126 -7.258 5.783 -10.983 1.00 0.00 O ATOM 903 OE2 GLU A 126 -5.622 4.683 -10.042 1.00 0.00 O ATOM 0 H GLU A 126 -5.050 7.666 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.628 9.841 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.785 8.351 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -4.377 7.582 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -5.825 6.355 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.241 7.146 -8.831 1.00 0.00 H new ATOM 910 N GLU A 127 -6.807 10.095 -6.996 1.00 0.00 N ATOM 911 CA GLU A 127 -8.052 10.678 -6.457 1.00 0.00 C ATOM 912 C GLU A 127 -9.180 9.666 -6.453 1.00 0.00 C ATOM 913 O GLU A 127 -10.364 10.025 -6.451 1.00 0.00 O ATOM 914 CB GLU A 127 -8.467 11.933 -7.212 1.00 0.00 C ATOM 915 CG GLU A 127 -7.488 13.076 -7.122 1.00 0.00 C ATOM 916 CD GLU A 127 -7.982 14.271 -7.871 1.00 0.00 C ATOM 917 OE1 GLU A 127 -8.799 15.044 -7.312 1.00 0.00 O ATOM 918 OE2 GLU A 127 -7.604 14.446 -9.044 1.00 0.00 O ATOM 0 H GLU A 127 -6.066 10.030 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.843 10.964 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -8.611 11.678 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -9.431 12.268 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -7.328 13.340 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.524 12.765 -7.524 1.00 0.00 H new ATOM 925 N GLY A 128 -8.817 8.419 -6.402 1.00 0.00 N ATOM 926 CA GLY A 128 -9.788 7.398 -6.370 1.00 0.00 C ATOM 927 C GLY A 128 -9.981 6.933 -4.963 1.00 0.00 C ATOM 928 O GLY A 128 -10.808 7.525 -4.245 1.00 0.00 O ATOM 929 OXT GLY A 128 -9.284 5.989 -4.543 1.00 0.00 O ATOM 0 H GLY A 128 -7.850 8.096 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.731 7.766 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.475 6.565 -6.999 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -17.682 -5.106 1.239 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.864 -4.295 0.355 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.491 -4.007 0.972 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.535 -3.056 2.144 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.181 -2.859 2.754 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.222 -2.420 1.769 1.00 0.00 N HETATM 940 CZ 2MR A1129 -11.991 -2.122 2.036 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.564 -2.227 3.341 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.256 -1.966 3.965 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.194 -1.766 1.006 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.790 -1.379 0.971 1.00 0.00 C HETATM 945 C 2MR A1129 -16.724 -5.024 -0.931 1.00 0.00 C HETATM 946 O 2MR A1129 -17.129 -4.498 -1.972 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.301 -6.176 -0.905 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.642 -0.492 1.586 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.178 -2.194 1.357 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.498 -1.161 -0.056 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.503 -2.613 3.516 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -9.979 -0.924 3.807 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.316 -2.168 5.034 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.654 -1.768 0.096 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -15.929 -2.094 1.816 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.221 -3.441 2.899 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.534 -2.339 0.801 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.244 -2.124 3.556 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -13.843 -3.793 3.203 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.045 -4.947 1.296 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.838 -3.592 0.204 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.342 -3.329 0.192 1.00 0.00 H new HETATM 0 H2 2MR A1129 -18.624 -5.376 0.957 1.00 0.00 H new HETATM 0 H 2MR A1129 -17.314 -5.406 2.142 1.00 0.00 H new