USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 942 hydrogens (0 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 Set 1.1: A 21 GLN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 TYR OH : rot 30:sc= -0.167 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.611 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.161 (180deg=-0.747) USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= -5.98! (180deg=-6.85!) USER MOD Single : A 15 GLN : amide:sc= -0.0902 K(o=-0.09,f=-0.63) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.17) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.584 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.699 K(o=-0.7,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-0.679) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.69! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.0975 USER MOD Single : A 89 SER OG : rot 180:sc= -2.12! USER MOD Single : A 95 THR OG1 : rot -41:sc= 0.0259 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 68:sc= -1.72! USER MOD Single : A 114 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.33) USER MOD Single : A 117 CYS SG : rot -29:sc= 0.0509 USER MOD Single : A 122 SER OG : rot -81:sc= 1.02 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.852 9.352 17.402 1.00 0.00 N ATOM 2 CA GLY A 1 -15.978 10.496 17.221 1.00 0.00 C ATOM 3 C GLY A 1 -14.511 10.112 17.227 1.00 0.00 C ATOM 4 O GLY A 1 -14.108 9.167 16.550 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.843 9.667 17.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.696 8.671 16.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.644 8.897 18.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.218 10.987 16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.164 11.220 18.014 1.00 0.00 H new ATOM 8 N SER A 2 -13.712 10.849 17.992 1.00 0.00 N ATOM 9 CA SER A 2 -12.280 10.583 18.079 1.00 0.00 C ATOM 10 C SER A 2 -11.929 9.930 19.412 1.00 0.00 C ATOM 11 O SER A 2 -12.643 10.091 20.402 1.00 0.00 O ATOM 12 CB SER A 2 -11.488 11.881 17.909 1.00 0.00 C ATOM 13 OG SER A 2 -10.184 11.623 17.420 1.00 0.00 O ATOM 0 H SER A 2 -14.031 11.634 18.560 1.00 0.00 H new ATOM 0 HA SER A 2 -12.013 9.895 17.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.013 12.543 17.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.425 12.400 18.865 1.00 0.00 H new ATOM 0 HG SER A 2 -9.699 12.469 17.319 1.00 0.00 H new ATOM 19 N SER A 3 -10.823 9.193 19.429 1.00 0.00 N ATOM 20 CA SER A 3 -10.377 8.512 20.639 1.00 0.00 C ATOM 21 C SER A 3 -9.322 9.337 21.370 1.00 0.00 C ATOM 22 O SER A 3 -8.329 8.802 21.859 1.00 0.00 O ATOM 23 CB SER A 3 -9.813 7.132 20.294 1.00 0.00 C ATOM 24 OG SER A 3 -9.491 6.405 21.467 1.00 0.00 O ATOM 0 H SER A 3 -10.219 9.052 18.619 1.00 0.00 H new ATOM 0 HA SER A 3 -11.238 8.391 21.297 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.542 6.575 19.705 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.922 7.244 19.676 1.00 0.00 H new ATOM 0 HG SER A 3 -8.876 6.931 22.019 1.00 0.00 H new ATOM 30 N GLY A 4 -9.547 10.646 21.439 1.00 0.00 N ATOM 31 CA GLY A 4 -8.608 11.525 22.111 1.00 0.00 C ATOM 32 C GLY A 4 -7.982 12.534 21.168 1.00 0.00 C ATOM 33 O GLY A 4 -7.881 12.290 19.966 1.00 0.00 O ATOM 0 H GLY A 4 -10.362 11.113 21.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.121 12.053 22.915 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.822 10.927 22.573 1.00 0.00 H new ATOM 37 N SER A 5 -7.563 13.671 21.714 1.00 0.00 N ATOM 38 CA SER A 5 -6.949 14.723 20.913 1.00 0.00 C ATOM 39 C SER A 5 -5.552 15.054 21.430 1.00 0.00 C ATOM 40 O SER A 5 -4.606 15.186 20.654 1.00 0.00 O ATOM 41 CB SER A 5 -7.822 15.979 20.927 1.00 0.00 C ATOM 42 OG SER A 5 -7.500 16.836 19.845 1.00 0.00 O ATOM 0 H SER A 5 -7.638 13.887 22.708 1.00 0.00 H new ATOM 0 HA SER A 5 -6.862 14.362 19.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.873 15.696 20.870 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.685 16.510 21.869 1.00 0.00 H new ATOM 0 HG SER A 5 -8.073 17.631 19.875 1.00 0.00 H new ATOM 48 N SER A 6 -5.432 15.188 22.747 1.00 0.00 N ATOM 49 CA SER A 6 -4.152 15.508 23.369 1.00 0.00 C ATOM 50 C SER A 6 -3.295 14.256 23.522 1.00 0.00 C ATOM 51 O SER A 6 -3.418 13.521 24.502 1.00 0.00 O ATOM 52 CB SER A 6 -4.374 16.158 24.736 1.00 0.00 C ATOM 53 OG SER A 6 -4.579 17.555 24.609 1.00 0.00 O ATOM 0 H SER A 6 -6.205 15.080 23.404 1.00 0.00 H new ATOM 0 HA SER A 6 -3.627 16.210 22.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.237 15.703 25.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.512 15.970 25.376 1.00 0.00 H new ATOM 0 HG SER A 6 -4.720 17.947 25.496 1.00 0.00 H new ATOM 59 N GLY A 7 -2.424 14.019 22.545 1.00 0.00 N ATOM 60 CA GLY A 7 -1.558 12.855 22.589 1.00 0.00 C ATOM 61 C GLY A 7 -0.864 12.599 21.266 1.00 0.00 C ATOM 62 O GLY A 7 -1.450 12.795 20.202 1.00 0.00 O ATOM 0 H GLY A 7 -2.303 14.612 21.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.808 12.993 23.368 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.146 11.979 22.863 1.00 0.00 H new ATOM 66 N MET A 8 0.389 12.160 21.333 1.00 0.00 N ATOM 67 CA MET A 8 1.163 11.876 20.130 1.00 0.00 C ATOM 68 C MET A 8 0.782 10.521 19.545 1.00 0.00 C ATOM 69 O MET A 8 1.177 9.477 20.063 1.00 0.00 O ATOM 70 CB MET A 8 2.661 11.908 20.443 1.00 0.00 C ATOM 71 CG MET A 8 3.538 12.002 19.206 1.00 0.00 C ATOM 72 SD MET A 8 5.296 11.882 19.590 1.00 0.00 S ATOM 73 CE MET A 8 5.474 13.209 20.779 1.00 0.00 C ATOM 0 H MET A 8 0.889 11.993 22.206 1.00 0.00 H new ATOM 0 HA MET A 8 0.937 12.646 19.392 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.870 12.758 21.092 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.927 11.009 20.999 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.267 11.207 18.512 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.344 12.947 18.699 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.525 13.488 20.859 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.894 14.072 20.451 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.112 12.877 21.752 1.00 0.00 H new ATOM 83 N GLY A 9 0.012 10.544 18.461 1.00 0.00 N ATOM 84 CA GLY A 9 -0.409 9.310 17.824 1.00 0.00 C ATOM 85 C GLY A 9 -1.700 9.471 17.045 1.00 0.00 C ATOM 86 O GLY A 9 -2.780 9.555 17.631 1.00 0.00 O ATOM 0 H GLY A 9 -0.328 11.395 18.013 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.377 8.965 17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.540 8.539 18.583 1.00 0.00 H new ATOM 90 N ASP A 10 -1.589 9.516 15.722 1.00 0.00 N ATOM 91 CA ASP A 10 -2.757 9.669 14.862 1.00 0.00 C ATOM 92 C ASP A 10 -3.856 8.689 15.259 1.00 0.00 C ATOM 93 O ASP A 10 -5.011 9.074 15.435 1.00 0.00 O ATOM 94 CB ASP A 10 -2.369 9.455 13.398 1.00 0.00 C ATOM 95 CG ASP A 10 -1.721 8.105 13.162 1.00 0.00 C ATOM 96 OD1 ASP A 10 -0.776 7.763 13.904 1.00 0.00 O ATOM 97 OD2 ASP A 10 -2.157 7.390 12.235 1.00 0.00 O ATOM 0 H ASP A 10 -0.703 9.449 15.222 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.138 10.683 14.984 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.258 9.542 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.683 10.243 13.088 1.00 0.00 H new ATOM 102 N GLY A 11 -3.489 7.418 15.396 1.00 0.00 N ATOM 103 CA GLY A 11 -4.455 6.403 15.770 1.00 0.00 C ATOM 104 C GLY A 11 -4.938 5.596 14.581 1.00 0.00 C ATOM 105 O GLY A 11 -5.783 6.055 13.813 1.00 0.00 O ATOM 0 H GLY A 11 -2.539 7.074 15.254 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.007 5.732 16.503 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.308 6.879 16.253 1.00 0.00 H new ATOM 109 N ALA A 12 -4.398 4.391 14.427 1.00 0.00 N ATOM 110 CA ALA A 12 -4.779 3.519 13.323 1.00 0.00 C ATOM 111 C ALA A 12 -6.295 3.439 13.184 1.00 0.00 C ATOM 112 O ALA A 12 -6.999 3.100 14.136 1.00 0.00 O ATOM 113 CB ALA A 12 -4.191 2.130 13.521 1.00 0.00 C ATOM 0 H ALA A 12 -3.696 3.997 15.053 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.378 3.944 12.402 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.483 1.489 12.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.104 2.198 13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.564 1.707 14.454 1.00 0.00 H new ATOM 119 N VAL A 13 -6.794 3.755 11.993 1.00 0.00 N ATOM 120 CA VAL A 13 -8.227 3.718 11.730 1.00 0.00 C ATOM 121 C VAL A 13 -8.787 2.314 11.928 1.00 0.00 C ATOM 122 O VAL A 13 -9.819 2.130 12.573 1.00 0.00 O ATOM 123 CB VAL A 13 -8.547 4.189 10.298 1.00 0.00 C ATOM 124 CG1 VAL A 13 -8.418 3.036 9.315 1.00 0.00 C ATOM 125 CG2 VAL A 13 -9.940 4.799 10.238 1.00 0.00 C ATOM 0 H VAL A 13 -6.226 4.040 11.195 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.697 4.397 12.442 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.826 4.956 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.648 3.388 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.399 2.649 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.114 2.244 9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.150 5.127 9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.677 4.054 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.992 5.654 10.912 1.00 0.00 H new ATOM 135 N LYS A 14 -8.098 1.325 11.369 1.00 0.00 N ATOM 136 CA LYS A 14 -8.524 -0.065 11.485 1.00 0.00 C ATOM 137 C LYS A 14 -7.324 -0.988 11.673 1.00 0.00 C ATOM 138 O LYS A 14 -6.446 -1.061 10.814 1.00 0.00 O ATOM 139 CB LYS A 14 -9.312 -0.484 10.242 1.00 0.00 C ATOM 140 CG LYS A 14 -9.954 -1.855 10.362 1.00 0.00 C ATOM 141 CD LYS A 14 -10.594 -2.288 9.053 1.00 0.00 C ATOM 142 CE LYS A 14 -9.549 -2.730 8.041 1.00 0.00 C ATOM 143 NZ LYS A 14 -8.946 -1.573 7.324 1.00 0.00 N ATOM 0 H LYS A 14 -7.242 1.460 10.831 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.167 -0.150 12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.089 0.256 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.645 -0.479 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.201 -2.585 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.709 -1.837 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.290 -3.106 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.175 -1.463 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.765 -3.290 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.006 -3.406 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.771 -1.832 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.598 -0.764 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.047 -1.314 7.778 1.00 0.00 H new ATOM 157 N GLN A 15 -7.295 -1.691 12.801 1.00 0.00 N ATOM 158 CA GLN A 15 -6.203 -2.609 13.100 1.00 0.00 C ATOM 159 C GLN A 15 -6.620 -4.053 12.844 1.00 0.00 C ATOM 160 O GLN A 15 -7.809 -4.371 12.817 1.00 0.00 O ATOM 161 CB GLN A 15 -5.755 -2.446 14.554 1.00 0.00 C ATOM 162 CG GLN A 15 -4.726 -1.346 14.754 1.00 0.00 C ATOM 163 CD GLN A 15 -4.814 -0.705 16.125 1.00 0.00 C ATOM 164 OE1 GLN A 15 -5.906 -0.444 16.631 1.00 0.00 O ATOM 165 NE2 GLN A 15 -3.663 -0.449 16.734 1.00 0.00 N ATOM 0 H GLN A 15 -8.015 -1.642 13.522 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.369 -2.368 12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.627 -2.233 15.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.338 -3.390 14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.727 -1.759 14.614 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.865 -0.581 13.990 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.781 -0.682 16.277 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.660 -0.019 17.659 1.00 0.00 H new ATOM 174 N GLY A 16 -5.634 -4.925 12.655 1.00 0.00 N ATOM 175 CA GLY A 16 -5.920 -6.325 12.402 1.00 0.00 C ATOM 176 C GLY A 16 -4.670 -7.125 12.093 1.00 0.00 C ATOM 177 O GLY A 16 -3.553 -6.660 12.326 1.00 0.00 O ATOM 0 H GLY A 16 -4.642 -4.687 12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.417 -6.754 13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.615 -6.405 11.566 1.00 0.00 H new ATOM 181 N PHE A 17 -4.856 -8.332 11.570 1.00 0.00 N ATOM 182 CA PHE A 17 -3.734 -9.200 11.232 1.00 0.00 C ATOM 183 C PHE A 17 -3.762 -9.574 9.753 1.00 0.00 C ATOM 184 O PHE A 17 -4.769 -10.070 9.245 1.00 0.00 O ATOM 185 CB PHE A 17 -3.764 -10.466 12.090 1.00 0.00 C ATOM 186 CG PHE A 17 -4.082 -10.203 13.535 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.269 -9.381 14.298 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.193 -10.779 14.129 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.559 -9.137 15.627 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.488 -10.539 15.457 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.670 -9.717 16.208 1.00 0.00 C ATOM 0 H PHE A 17 -5.773 -8.732 11.371 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.812 -8.655 11.434 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.505 -11.154 11.683 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.796 -10.963 12.024 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.399 -8.926 13.849 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.836 -11.423 13.547 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.918 -8.493 16.211 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.358 -10.994 15.908 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.899 -9.528 17.247 1.00 0.00 H new ATOM 201 N LEU A 18 -2.651 -9.334 9.066 1.00 0.00 N ATOM 202 CA LEU A 18 -2.547 -9.644 7.645 1.00 0.00 C ATOM 203 C LEU A 18 -1.413 -10.631 7.384 1.00 0.00 C ATOM 204 O LEU A 18 -0.323 -10.502 7.943 1.00 0.00 O ATOM 205 CB LEU A 18 -2.320 -8.365 6.838 1.00 0.00 C ATOM 206 CG LEU A 18 -3.504 -7.400 6.762 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.033 -6.005 6.381 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.540 -7.905 5.768 1.00 0.00 C ATOM 0 H LEU A 18 -1.809 -8.925 9.471 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.484 -10.103 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.471 -7.834 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.039 -8.645 5.823 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.969 -7.347 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.889 -5.333 6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.329 -5.642 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.543 -6.040 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.375 -7.206 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.087 -7.987 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.901 -8.884 6.084 1.00 0.00 H new ATOM 220 N TYR A 19 -1.676 -11.614 6.531 1.00 0.00 N ATOM 221 CA TYR A 19 -0.677 -12.623 6.197 1.00 0.00 C ATOM 222 C TYR A 19 0.047 -12.265 4.902 1.00 0.00 C ATOM 223 O TYR A 19 -0.583 -11.967 3.886 1.00 0.00 O ATOM 224 CB TYR A 19 -1.336 -13.997 6.062 1.00 0.00 C ATOM 225 CG TYR A 19 -2.237 -14.353 7.223 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.707 -14.762 8.440 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.619 -14.279 7.102 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.527 -15.089 9.503 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.447 -14.602 8.160 1.00 0.00 C ATOM 230 CZ TYR A 19 -3.896 -15.007 9.358 1.00 0.00 C ATOM 231 OH TYR A 19 -4.716 -15.330 10.414 1.00 0.00 O ATOM 0 H TYR A 19 -2.572 -11.734 6.058 1.00 0.00 H new ATOM 0 HA TYR A 19 0.055 -12.655 7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.918 -14.023 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.559 -14.756 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.635 -14.826 8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.054 -13.964 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.098 -15.407 10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.519 -14.538 8.050 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.652 -15.218 10.147 1.00 0.00 H new ATOM 241 N LEU A 20 1.374 -12.296 4.947 1.00 0.00 N ATOM 242 CA LEU A 20 2.186 -11.976 3.778 1.00 0.00 C ATOM 243 C LEU A 20 3.017 -13.180 3.346 1.00 0.00 C ATOM 244 O LEU A 20 3.807 -13.712 4.125 1.00 0.00 O ATOM 245 CB LEU A 20 3.105 -10.790 4.081 1.00 0.00 C ATOM 246 CG LEU A 20 4.228 -10.537 3.074 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.697 -10.617 1.651 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.877 -9.185 3.328 1.00 0.00 C ATOM 0 H LEU A 20 1.911 -12.539 5.780 1.00 0.00 H new ATOM 0 HA LEU A 20 1.515 -11.709 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.494 -9.890 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.552 -10.944 5.063 1.00 0.00 H new ATOM 0 HG LEU A 20 4.985 -11.311 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.510 -10.434 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.280 -11.608 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.920 -9.866 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.674 -9.022 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.129 -8.398 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.294 -9.165 4.335 1.00 0.00 H new ATOM 260 N GLN A 21 2.833 -13.602 2.099 1.00 0.00 N ATOM 261 CA GLN A 21 3.567 -14.742 1.563 1.00 0.00 C ATOM 262 C GLN A 21 4.930 -14.311 1.031 1.00 0.00 C ATOM 263 O GLN A 21 5.021 -13.446 0.160 1.00 0.00 O ATOM 264 CB GLN A 21 2.763 -15.416 0.451 1.00 0.00 C ATOM 265 CG GLN A 21 3.038 -16.905 0.317 1.00 0.00 C ATOM 266 CD GLN A 21 2.333 -17.525 -0.873 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.940 -17.754 -1.919 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.043 -17.800 -0.719 1.00 0.00 N ATOM 0 H GLN A 21 2.182 -13.172 1.442 1.00 0.00 H new ATOM 0 HA GLN A 21 3.722 -15.455 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.700 -15.267 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.989 -14.927 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.112 -17.065 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.720 -17.413 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.580 -17.593 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.516 -18.218 -1.486 1.00 0.00 H new ATOM 277 N GLN A 22 5.986 -14.919 1.561 1.00 0.00 N ATOM 278 CA GLN A 22 7.344 -14.596 1.140 1.00 0.00 C ATOM 279 C GLN A 22 7.794 -15.510 0.005 1.00 0.00 C ATOM 280 O GLN A 22 7.912 -16.722 0.182 1.00 0.00 O ATOM 281 CB GLN A 22 8.310 -14.717 2.320 1.00 0.00 C ATOM 282 CG GLN A 22 8.362 -13.474 3.193 1.00 0.00 C ATOM 283 CD GLN A 22 9.691 -13.315 3.904 1.00 0.00 C ATOM 284 OE1 GLN A 22 10.753 -13.389 3.284 1.00 0.00 O ATOM 285 NE2 GLN A 22 9.641 -13.095 5.213 1.00 0.00 N ATOM 0 H GLN A 22 5.927 -15.638 2.282 1.00 0.00 H new ATOM 0 HA GLN A 22 7.350 -13.568 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.017 -15.569 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.310 -14.926 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.176 -12.594 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.562 -13.520 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.739 -13.041 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.504 -12.980 5.744 1.00 0.00 H new ATOM 294 N GLN A 23 8.042 -14.921 -1.160 1.00 0.00 N ATOM 295 CA GLN A 23 8.478 -15.683 -2.324 1.00 0.00 C ATOM 296 C GLN A 23 9.997 -15.656 -2.456 1.00 0.00 C ATOM 297 O GLN A 23 10.664 -14.801 -1.873 1.00 0.00 O ATOM 298 CB GLN A 23 7.833 -15.127 -3.595 1.00 0.00 C ATOM 299 CG GLN A 23 7.675 -16.159 -4.699 1.00 0.00 C ATOM 300 CD GLN A 23 7.019 -15.589 -5.941 1.00 0.00 C ATOM 301 OE1 GLN A 23 5.906 -15.974 -6.301 1.00 0.00 O ATOM 302 NE2 GLN A 23 7.706 -14.666 -6.604 1.00 0.00 N ATOM 0 H GLN A 23 7.948 -13.918 -1.323 1.00 0.00 H new ATOM 0 HA GLN A 23 8.163 -16.717 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.853 -14.720 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.437 -14.299 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.655 -16.558 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.080 -16.993 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.625 -14.376 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.314 -14.247 -7.447 1.00 0.00 H new ATOM 311 N GLN A 24 10.536 -16.596 -3.225 1.00 0.00 N ATOM 312 CA GLN A 24 11.977 -16.679 -3.431 1.00 0.00 C ATOM 313 C GLN A 24 12.726 -16.537 -2.110 1.00 0.00 C ATOM 314 O GLN A 24 13.694 -15.782 -2.011 1.00 0.00 O ATOM 315 CB GLN A 24 12.437 -15.598 -4.411 1.00 0.00 C ATOM 316 CG GLN A 24 13.891 -15.736 -4.832 1.00 0.00 C ATOM 317 CD GLN A 24 14.160 -15.147 -6.202 1.00 0.00 C ATOM 318 OE1 GLN A 24 13.620 -15.610 -7.207 1.00 0.00 O ATOM 319 NE2 GLN A 24 14.999 -14.119 -6.251 1.00 0.00 N ATOM 0 H GLN A 24 9.997 -17.310 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 24 12.202 -17.659 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.806 -15.632 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.291 -14.619 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.527 -15.242 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.166 -16.791 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.425 -13.767 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.218 -13.682 -7.146 1.00 0.00 H new ATOM 328 N THR A 25 12.271 -17.266 -1.096 1.00 0.00 N ATOM 329 CA THR A 25 12.896 -17.220 0.219 1.00 0.00 C ATOM 330 C THR A 25 12.526 -18.445 1.047 1.00 0.00 C ATOM 331 O THR A 25 11.397 -18.931 0.985 1.00 0.00 O ATOM 332 CB THR A 25 12.489 -15.951 0.991 1.00 0.00 C ATOM 333 OG1 THR A 25 12.312 -14.860 0.081 1.00 0.00 O ATOM 334 CG2 THR A 25 13.540 -15.587 2.029 1.00 0.00 C ATOM 0 H THR A 25 11.471 -17.896 -1.161 1.00 0.00 H new ATOM 0 HA THR A 25 13.974 -17.207 0.056 1.00 0.00 H new ATOM 0 HB THR A 25 11.549 -16.152 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.446 -14.948 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.230 -14.688 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.651 -16.408 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.493 -15.405 1.533 1.00 0.00 H new ATOM 342 N PHE A 26 13.485 -18.941 1.823 1.00 0.00 N ATOM 343 CA PHE A 26 13.259 -20.111 2.664 1.00 0.00 C ATOM 344 C PHE A 26 11.918 -20.011 3.386 1.00 0.00 C ATOM 345 O PHE A 26 11.656 -19.047 4.102 1.00 0.00 O ATOM 346 CB PHE A 26 14.390 -20.257 3.684 1.00 0.00 C ATOM 347 CG PHE A 26 14.157 -19.488 4.953 1.00 0.00 C ATOM 348 CD1 PHE A 26 14.468 -18.140 5.028 1.00 0.00 C ATOM 349 CD2 PHE A 26 13.627 -20.112 6.070 1.00 0.00 C ATOM 350 CE1 PHE A 26 14.254 -17.428 6.194 1.00 0.00 C ATOM 351 CE2 PHE A 26 13.410 -19.406 7.239 1.00 0.00 C ATOM 352 CZ PHE A 26 13.726 -18.063 7.301 1.00 0.00 C ATOM 0 H PHE A 26 14.425 -18.551 1.887 1.00 0.00 H new ATOM 0 HA PHE A 26 13.241 -20.992 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 26 14.516 -21.312 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 26 15.323 -19.921 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.883 -17.639 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.380 -21.163 6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 14.499 -16.377 6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.994 -19.904 8.102 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.560 -17.510 8.214 1.00 0.00 H new ATOM 362 N GLY A 27 11.071 -21.018 3.189 1.00 0.00 N ATOM 363 CA GLY A 27 9.767 -21.025 3.826 1.00 0.00 C ATOM 364 C GLY A 27 8.632 -21.042 2.823 1.00 0.00 C ATOM 365 O GLY A 27 7.869 -22.006 2.753 1.00 0.00 O ATOM 0 H GLY A 27 11.265 -21.828 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.688 -21.897 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.672 -20.145 4.462 1.00 0.00 H new ATOM 369 N LYS A 28 8.517 -19.972 2.043 1.00 0.00 N ATOM 370 CA LYS A 28 7.466 -19.866 1.038 1.00 0.00 C ATOM 371 C LYS A 28 6.103 -20.199 1.638 1.00 0.00 C ATOM 372 O LYS A 28 5.357 -21.015 1.096 1.00 0.00 O ATOM 373 CB LYS A 28 7.760 -20.801 -0.137 1.00 0.00 C ATOM 374 CG LYS A 28 8.998 -20.414 -0.927 1.00 0.00 C ATOM 375 CD LYS A 28 9.059 -21.141 -2.260 1.00 0.00 C ATOM 376 CE LYS A 28 9.684 -22.520 -2.115 1.00 0.00 C ATOM 377 NZ LYS A 28 10.343 -22.966 -3.373 1.00 0.00 N ATOM 0 H LYS A 28 9.140 -19.165 2.088 1.00 0.00 H new ATOM 0 HA LYS A 28 7.443 -18.837 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.882 -21.817 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.900 -20.811 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.000 -19.338 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.890 -20.645 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.053 -21.237 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.637 -20.551 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.416 -22.504 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.915 -23.239 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.756 -23.910 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.640 -23.006 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.094 -22.294 -3.629 1.00 0.00 H new ATOM 391 N LYS A 29 5.784 -19.563 2.760 1.00 0.00 N ATOM 392 CA LYS A 29 4.511 -19.789 3.433 1.00 0.00 C ATOM 393 C LYS A 29 3.980 -18.495 4.041 1.00 0.00 C ATOM 394 O LYS A 29 4.665 -17.472 4.044 1.00 0.00 O ATOM 395 CB LYS A 29 4.668 -20.851 4.523 1.00 0.00 C ATOM 396 CG LYS A 29 4.611 -22.275 3.998 1.00 0.00 C ATOM 397 CD LYS A 29 5.216 -23.258 4.985 1.00 0.00 C ATOM 398 CE LYS A 29 5.796 -24.473 4.278 1.00 0.00 C ATOM 399 NZ LYS A 29 4.741 -25.457 3.909 1.00 0.00 N ATOM 0 H LYS A 29 6.391 -18.886 3.223 1.00 0.00 H new ATOM 0 HA LYS A 29 3.794 -20.142 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.619 -20.698 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.883 -20.715 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.575 -22.549 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.145 -22.336 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.998 -22.763 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.453 -23.579 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.324 -24.153 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.530 -24.953 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.177 -26.270 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.254 -25.782 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.054 -25.007 3.271 1.00 0.00 H new ATOM 413 N TRP A 30 2.757 -18.547 4.557 1.00 0.00 N ATOM 414 CA TRP A 30 2.136 -17.379 5.171 1.00 0.00 C ATOM 415 C TRP A 30 2.817 -17.029 6.489 1.00 0.00 C ATOM 416 O TRP A 30 3.064 -17.901 7.322 1.00 0.00 O ATOM 417 CB TRP A 30 0.646 -17.632 5.404 1.00 0.00 C ATOM 418 CG TRP A 30 -0.134 -17.800 4.136 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.780 -18.927 3.714 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.349 -16.810 3.124 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.383 -18.697 2.500 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.134 -17.406 2.117 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.044 -15.478 2.971 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.531 -16.714 0.976 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.350 -14.793 1.837 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.131 -15.411 0.852 1.00 0.00 C ATOM 0 H TRP A 30 2.176 -19.385 4.562 1.00 0.00 H new ATOM 0 HA TRP A 30 2.252 -16.536 4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.528 -18.526 6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.228 -16.800 5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.812 -19.861 4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.928 -19.378 1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.645 -14.992 3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.133 -17.189 0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.050 -13.763 1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.423 -14.848 -0.022 1.00 0.00 H new ATOM 437 N ARG A 31 3.120 -15.748 6.672 1.00 0.00 N ATOM 438 CA ARG A 31 3.774 -15.283 7.889 1.00 0.00 C ATOM 439 C ARG A 31 2.927 -14.226 8.592 1.00 0.00 C ATOM 440 O ARG A 31 2.424 -13.298 7.959 1.00 0.00 O ATOM 441 CB ARG A 31 5.156 -14.712 7.565 1.00 0.00 C ATOM 442 CG ARG A 31 6.207 -15.777 7.298 1.00 0.00 C ATOM 443 CD ARG A 31 6.756 -16.354 8.594 1.00 0.00 C ATOM 444 NE ARG A 31 7.673 -17.466 8.353 1.00 0.00 N ATOM 445 CZ ARG A 31 8.877 -17.321 7.812 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.309 -16.118 7.459 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.653 -18.381 7.625 1.00 0.00 N ATOM 0 H ARG A 31 2.923 -15.013 5.992 1.00 0.00 H new ATOM 0 HA ARG A 31 3.889 -16.136 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.077 -14.065 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.486 -14.088 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.773 -16.576 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.022 -15.348 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.273 -15.571 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.930 -16.694 9.218 1.00 0.00 H new ATOM 0 HE ARG A 31 7.372 -18.405 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.716 -15.301 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.234 -16.010 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.325 -19.308 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.578 -18.269 7.209 1.00 0.00 H new ATOM 461 N ARG A 32 2.774 -14.374 9.904 1.00 0.00 N ATOM 462 CA ARG A 32 1.987 -13.434 10.692 1.00 0.00 C ATOM 463 C ARG A 32 2.709 -12.096 10.822 1.00 0.00 C ATOM 464 O ARG A 32 3.908 -12.050 11.099 1.00 0.00 O ATOM 465 CB ARG A 32 1.705 -14.010 12.081 1.00 0.00 C ATOM 466 CG ARG A 32 0.764 -13.156 12.915 1.00 0.00 C ATOM 467 CD ARG A 32 -0.689 -13.539 12.683 1.00 0.00 C ATOM 468 NE ARG A 32 -1.541 -13.162 13.808 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.863 -13.289 13.803 1.00 0.00 C ATOM 470 NH1 ARG A 32 -3.481 -13.781 12.739 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.570 -12.923 14.865 1.00 0.00 N ATOM 0 H ARG A 32 3.185 -15.136 10.443 1.00 0.00 H new ATOM 0 HA ARG A 32 1.041 -13.269 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.277 -15.006 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.648 -14.125 12.616 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.007 -13.270 13.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.908 -12.105 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.051 -13.055 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.759 -14.614 12.520 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.096 -12.780 14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.941 -14.063 11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.496 -13.877 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.098 -12.544 15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.585 -13.021 14.860 1.00 0.00 H new ATOM 485 N PHE A 33 1.971 -11.009 10.620 1.00 0.00 N ATOM 486 CA PHE A 33 2.541 -9.670 10.713 1.00 0.00 C ATOM 487 C PHE A 33 1.483 -8.657 11.139 1.00 0.00 C ATOM 488 O PHE A 33 0.416 -8.566 10.534 1.00 0.00 O ATOM 489 CB PHE A 33 3.148 -9.256 9.370 1.00 0.00 C ATOM 490 CG PHE A 33 4.278 -10.140 8.925 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.346 -10.398 9.769 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.273 -10.711 7.663 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.388 -11.210 9.363 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.312 -11.525 7.252 1.00 0.00 C ATOM 495 CZ PHE A 33 6.371 -11.774 8.102 1.00 0.00 C ATOM 0 H PHE A 33 0.977 -11.029 10.391 1.00 0.00 H new ATOM 0 HA PHE A 33 3.326 -9.689 11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.368 -9.266 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.508 -8.230 9.444 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.364 -9.959 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.448 -10.518 6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.215 -11.403 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.295 -11.966 6.266 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.184 -12.408 7.782 1.00 0.00 H new ATOM 505 N GLY A 34 1.788 -7.897 12.187 1.00 0.00 N ATOM 506 CA GLY A 34 0.853 -6.901 12.678 1.00 0.00 C ATOM 507 C GLY A 34 0.512 -5.861 11.630 1.00 0.00 C ATOM 508 O GLY A 34 1.371 -5.085 11.213 1.00 0.00 O ATOM 0 H GLY A 34 2.665 -7.953 12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.061 -7.396 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.279 -6.407 13.551 1.00 0.00 H new ATOM 512 N ALA A 35 -0.747 -5.845 11.202 1.00 0.00 N ATOM 513 CA ALA A 35 -1.200 -4.892 10.197 1.00 0.00 C ATOM 514 C ALA A 35 -1.863 -3.682 10.847 1.00 0.00 C ATOM 515 O ALA A 35 -2.777 -3.826 11.660 1.00 0.00 O ATOM 516 CB ALA A 35 -2.159 -5.564 9.226 1.00 0.00 C ATOM 0 H ALA A 35 -1.471 -6.482 11.536 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.328 -4.542 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.489 -4.840 8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.653 -6.391 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.023 -5.943 9.772 1.00 0.00 H new ATOM 522 N SER A 36 -1.398 -2.491 10.484 1.00 0.00 N ATOM 523 CA SER A 36 -1.944 -1.257 11.035 1.00 0.00 C ATOM 524 C SER A 36 -2.319 -0.284 9.922 1.00 0.00 C ATOM 525 O SER A 36 -1.451 0.259 9.237 1.00 0.00 O ATOM 526 CB SER A 36 -0.932 -0.604 11.979 1.00 0.00 C ATOM 527 OG SER A 36 -0.508 -1.513 12.980 1.00 0.00 O ATOM 0 H SER A 36 -0.644 -2.355 9.810 1.00 0.00 H new ATOM 0 HA SER A 36 -2.845 -1.506 11.595 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.070 -0.257 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.379 0.273 12.446 1.00 0.00 H new ATOM 0 HG SER A 36 0.139 -1.072 13.569 1.00 0.00 H new ATOM 533 N LEU A 37 -3.618 -0.067 9.747 1.00 0.00 N ATOM 534 CA LEU A 37 -4.111 0.841 8.717 1.00 0.00 C ATOM 535 C LEU A 37 -4.290 2.250 9.273 1.00 0.00 C ATOM 536 O LEU A 37 -5.062 2.465 10.208 1.00 0.00 O ATOM 537 CB LEU A 37 -5.437 0.330 8.151 1.00 0.00 C ATOM 538 CG LEU A 37 -5.983 1.083 6.938 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.466 0.464 5.648 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.505 1.090 6.955 1.00 0.00 C ATOM 0 H LEU A 37 -4.349 -0.508 10.305 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.372 0.878 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.313 -0.718 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.185 0.366 8.943 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.634 2.114 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.865 1.013 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.377 0.511 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.785 -0.577 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.876 1.630 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.874 0.065 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.856 1.580 7.863 1.00 0.00 H new ATOM 552 N TYR A 38 -3.574 3.205 8.691 1.00 0.00 N ATOM 553 CA TYR A 38 -3.654 4.594 9.129 1.00 0.00 C ATOM 554 C TYR A 38 -4.151 5.493 8.001 1.00 0.00 C ATOM 555 O TYR A 38 -3.595 5.496 6.903 1.00 0.00 O ATOM 556 CB TYR A 38 -2.287 5.076 9.616 1.00 0.00 C ATOM 557 CG TYR A 38 -1.686 4.205 10.696 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.046 4.369 12.028 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.758 3.219 10.385 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.500 3.575 13.018 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.208 2.420 11.368 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.581 2.602 12.683 1.00 0.00 C ATOM 563 OH TYR A 38 -0.034 1.809 13.666 1.00 0.00 O ATOM 0 H TYR A 38 -2.932 3.043 7.915 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.366 4.649 9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.602 5.114 8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.384 6.094 9.994 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.765 5.130 12.294 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.462 3.075 9.357 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.791 3.715 14.049 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.510 1.657 11.108 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.678 1.703 14.397 1.00 0.00 H new ATOM 573 N GLY A 39 -5.203 6.256 8.281 1.00 0.00 N ATOM 574 CA GLY A 39 -5.758 7.150 7.282 1.00 0.00 C ATOM 575 C GLY A 39 -6.974 7.901 7.787 1.00 0.00 C ATOM 576 O GLY A 39 -7.535 7.560 8.827 1.00 0.00 O ATOM 0 H GLY A 39 -5.681 6.271 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.995 7.865 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.031 6.576 6.397 1.00 0.00 H new ATOM 580 N GLY A 40 -7.381 8.930 7.050 1.00 0.00 N ATOM 581 CA GLY A 40 -8.533 9.717 7.446 1.00 0.00 C ATOM 582 C GLY A 40 -8.677 10.987 6.630 1.00 0.00 C ATOM 583 O GLY A 40 -7.898 11.233 5.710 1.00 0.00 O ATOM 0 H GLY A 40 -6.933 9.232 6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.435 9.115 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.447 9.975 8.502 1.00 0.00 H new ATOM 587 N SER A 41 -9.678 11.794 6.967 1.00 0.00 N ATOM 588 CA SER A 41 -9.925 13.043 6.255 1.00 0.00 C ATOM 589 C SER A 41 -9.134 14.189 6.878 1.00 0.00 C ATOM 590 O SER A 41 -8.707 15.112 6.184 1.00 0.00 O ATOM 591 CB SER A 41 -11.419 13.374 6.266 1.00 0.00 C ATOM 592 OG SER A 41 -11.761 14.146 7.404 1.00 0.00 O ATOM 0 H SER A 41 -10.331 11.606 7.728 1.00 0.00 H new ATOM 0 HA SER A 41 -9.596 12.916 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.680 13.920 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.999 12.451 6.261 1.00 0.00 H new ATOM 0 HG SER A 41 -12.720 14.346 7.387 1.00 0.00 H new ATOM 598 N ASP A 42 -8.942 14.122 8.191 1.00 0.00 N ATOM 599 CA ASP A 42 -8.202 15.153 8.909 1.00 0.00 C ATOM 600 C ASP A 42 -6.818 15.353 8.298 1.00 0.00 C ATOM 601 O ASP A 42 -6.542 16.385 7.686 1.00 0.00 O ATOM 602 CB ASP A 42 -8.072 14.782 10.387 1.00 0.00 C ATOM 603 CG ASP A 42 -9.366 14.244 10.964 1.00 0.00 C ATOM 604 OD1 ASP A 42 -10.184 15.055 11.447 1.00 0.00 O ATOM 605 OD2 ASP A 42 -9.561 13.011 10.933 1.00 0.00 O ATOM 0 H ASP A 42 -9.289 13.364 8.780 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.755 16.088 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.287 14.035 10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.762 15.660 10.953 1.00 0.00 H new ATOM 610 N CYS A 43 -5.952 14.360 8.470 1.00 0.00 N ATOM 611 CA CYS A 43 -4.596 14.427 7.937 1.00 0.00 C ATOM 612 C CYS A 43 -4.439 13.507 6.731 1.00 0.00 C ATOM 613 O CYS A 43 -5.048 12.439 6.669 1.00 0.00 O ATOM 614 CB CYS A 43 -3.582 14.049 9.018 1.00 0.00 C ATOM 615 SG CYS A 43 -3.437 15.262 10.351 1.00 0.00 S ATOM 0 H CYS A 43 -6.165 13.499 8.974 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.409 15.452 7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.865 13.087 9.446 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.605 13.917 8.554 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.558 14.852 11.217 1.00 0.00 H new ATOM 621 N ALA A 44 -3.620 13.930 5.774 1.00 0.00 N ATOM 622 CA ALA A 44 -3.383 13.144 4.569 1.00 0.00 C ATOM 623 C ALA A 44 -2.276 12.119 4.791 1.00 0.00 C ATOM 624 O ALA A 44 -1.666 11.631 3.838 1.00 0.00 O ATOM 625 CB ALA A 44 -3.034 14.057 3.403 1.00 0.00 C ATOM 0 H ALA A 44 -3.109 14.812 5.809 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.300 12.604 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.860 13.456 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.858 14.746 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.133 14.623 3.641 1.00 0.00 H new ATOM 631 N LEU A 45 -2.019 11.797 6.054 1.00 0.00 N ATOM 632 CA LEU A 45 -0.984 10.830 6.402 1.00 0.00 C ATOM 633 C LEU A 45 -1.524 9.405 6.331 1.00 0.00 C ATOM 634 O LEU A 45 -1.793 8.781 7.357 1.00 0.00 O ATOM 635 CB LEU A 45 -0.444 11.113 7.805 1.00 0.00 C ATOM 636 CG LEU A 45 0.645 12.182 7.901 1.00 0.00 C ATOM 637 CD1 LEU A 45 1.982 11.626 7.436 1.00 0.00 C ATOM 638 CD2 LEU A 45 0.263 13.408 7.085 1.00 0.00 C ATOM 0 H LEU A 45 -2.513 12.192 6.854 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.173 10.928 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.278 11.414 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.050 10.183 8.215 1.00 0.00 H new ATOM 0 HG LEU A 45 0.742 12.481 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.745 12.401 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.262 10.779 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.899 11.298 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.050 14.158 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.137 13.125 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.672 13.821 7.464 1.00 0.00 H new ATOM 650 N ALA A 46 -1.677 8.895 5.113 1.00 0.00 N ATOM 651 CA ALA A 46 -2.180 7.543 4.909 1.00 0.00 C ATOM 652 C ALA A 46 -1.070 6.609 4.438 1.00 0.00 C ATOM 653 O ALA A 46 -0.370 6.901 3.469 1.00 0.00 O ATOM 654 CB ALA A 46 -3.325 7.552 3.906 1.00 0.00 C ATOM 0 H ALA A 46 -1.460 9.398 4.253 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.550 7.172 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.691 6.535 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.133 8.179 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.972 7.948 2.954 1.00 0.00 H new ATOM 660 N ARG A 47 -0.914 5.486 5.132 1.00 0.00 N ATOM 661 CA ARG A 47 0.113 4.511 4.786 1.00 0.00 C ATOM 662 C ARG A 47 -0.114 3.196 5.526 1.00 0.00 C ATOM 663 O ARG A 47 -0.691 3.176 6.615 1.00 0.00 O ATOM 664 CB ARG A 47 1.501 5.062 5.117 1.00 0.00 C ATOM 665 CG ARG A 47 1.725 5.297 6.601 1.00 0.00 C ATOM 666 CD ARG A 47 3.196 5.527 6.914 1.00 0.00 C ATOM 667 NE ARG A 47 3.576 6.928 6.756 1.00 0.00 N ATOM 668 CZ ARG A 47 3.929 7.467 5.594 1.00 0.00 C ATOM 669 NH1 ARG A 47 3.951 6.727 4.495 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.262 8.750 5.531 1.00 0.00 N ATOM 0 H ARG A 47 -1.486 5.229 5.937 1.00 0.00 H new ATOM 0 HA ARG A 47 0.051 4.320 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.256 4.366 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.647 6.001 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.144 6.160 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.362 4.438 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.404 5.208 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.808 4.909 6.257 1.00 0.00 H new ATOM 0 HE ARG A 47 3.570 7.525 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.696 5.740 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.222 7.144 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.247 9.323 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.533 9.163 4.639 1.00 0.00 H new ATOM 684 N LEU A 48 0.341 2.101 4.929 1.00 0.00 N ATOM 685 CA LEU A 48 0.187 0.781 5.531 1.00 0.00 C ATOM 686 C LEU A 48 1.475 0.344 6.221 1.00 0.00 C ATOM 687 O LEU A 48 2.533 0.274 5.596 1.00 0.00 O ATOM 688 CB LEU A 48 -0.207 -0.244 4.466 1.00 0.00 C ATOM 689 CG LEU A 48 -1.053 -1.423 4.950 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.272 -0.928 5.711 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.473 -2.295 3.776 1.00 0.00 C ATOM 0 H LEU A 48 0.820 2.100 4.028 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.603 0.840 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.756 0.272 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.704 -0.637 4.014 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.448 -2.026 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.862 -1.781 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.950 -0.346 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.879 -0.302 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.074 -3.129 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.060 -1.703 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.586 -2.679 3.272 1.00 0.00 H new ATOM 703 N GLU A 49 1.377 0.049 7.514 1.00 0.00 N ATOM 704 CA GLU A 49 2.535 -0.383 8.288 1.00 0.00 C ATOM 705 C GLU A 49 2.455 -1.874 8.600 1.00 0.00 C ATOM 706 O GLU A 49 1.366 -2.443 8.696 1.00 0.00 O ATOM 707 CB GLU A 49 2.633 0.417 9.589 1.00 0.00 C ATOM 708 CG GLU A 49 2.711 1.919 9.375 1.00 0.00 C ATOM 709 CD GLU A 49 3.060 2.672 10.645 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.572 2.035 11.589 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.820 3.896 10.694 1.00 0.00 O ATOM 0 H GLU A 49 0.509 0.101 8.047 1.00 0.00 H new ATOM 0 HA GLU A 49 3.428 -0.202 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.766 0.192 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.515 0.091 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.459 2.135 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.755 2.278 8.995 1.00 0.00 H new ATOM 718 N LEU A 50 3.615 -2.503 8.758 1.00 0.00 N ATOM 719 CA LEU A 50 3.678 -3.929 9.059 1.00 0.00 C ATOM 720 C LEU A 50 4.581 -4.192 10.259 1.00 0.00 C ATOM 721 O LEU A 50 5.575 -3.496 10.464 1.00 0.00 O ATOM 722 CB LEU A 50 4.187 -4.705 7.842 1.00 0.00 C ATOM 723 CG LEU A 50 3.288 -4.680 6.606 1.00 0.00 C ATOM 724 CD1 LEU A 50 4.021 -5.251 5.402 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.003 -5.452 6.866 1.00 0.00 C ATOM 0 H LEU A 50 4.525 -2.048 8.683 1.00 0.00 H new ATOM 0 HA LEU A 50 2.672 -4.269 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.163 -4.307 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.338 -5.744 8.136 1.00 0.00 H new ATOM 0 HG LEU A 50 3.028 -3.644 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.366 -5.225 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.912 -4.656 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.311 -6.281 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.375 -5.424 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.243 -6.487 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.469 -4.999 7.701 1.00 0.00 H new ATOM 737 N GLN A 51 4.230 -5.204 11.047 1.00 0.00 N ATOM 738 CA GLN A 51 5.011 -5.560 12.226 1.00 0.00 C ATOM 739 C GLN A 51 5.499 -7.002 12.139 1.00 0.00 C ATOM 740 O GLN A 51 4.973 -7.800 11.364 1.00 0.00 O ATOM 741 CB GLN A 51 4.176 -5.366 13.493 1.00 0.00 C ATOM 742 CG GLN A 51 3.706 -3.936 13.699 1.00 0.00 C ATOM 743 CD GLN A 51 4.849 -2.982 13.987 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.741 -2.796 13.158 1.00 0.00 O ATOM 745 NE2 GLN A 51 4.829 -2.371 15.166 1.00 0.00 N ATOM 0 H GLN A 51 3.411 -5.791 10.890 1.00 0.00 H new ATOM 0 HA GLN A 51 5.880 -4.904 12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.307 -6.022 13.449 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.765 -5.674 14.357 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.173 -3.601 12.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.996 -3.906 14.525 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.071 -2.555 15.823 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.572 -1.718 15.415 1.00 0.00 H new ATOM 754 N GLU A 52 6.509 -7.329 12.940 1.00 0.00 N ATOM 755 CA GLU A 52 7.069 -8.675 12.953 1.00 0.00 C ATOM 756 C GLU A 52 6.194 -9.620 13.771 1.00 0.00 C ATOM 757 O GLU A 52 5.910 -10.741 13.351 1.00 0.00 O ATOM 758 CB GLU A 52 8.489 -8.656 13.522 1.00 0.00 C ATOM 759 CG GLU A 52 9.130 -10.031 13.606 1.00 0.00 C ATOM 760 CD GLU A 52 10.305 -10.069 14.563 1.00 0.00 C ATOM 761 OE1 GLU A 52 10.978 -9.029 14.718 1.00 0.00 O ATOM 762 OE2 GLU A 52 10.552 -11.139 15.158 1.00 0.00 O ATOM 0 H GLU A 52 6.956 -6.680 13.588 1.00 0.00 H new ATOM 0 HA GLU A 52 7.103 -9.037 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.111 -8.012 12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.466 -8.214 14.518 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.383 -10.757 13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.465 -10.333 12.614 1.00 0.00 H new ATOM 769 N GLY A 53 5.770 -9.159 14.944 1.00 0.00 N ATOM 770 CA GLY A 53 4.933 -9.975 15.804 1.00 0.00 C ATOM 771 C GLY A 53 5.008 -9.552 17.257 1.00 0.00 C ATOM 772 O GLY A 53 4.130 -8.858 17.770 1.00 0.00 O ATOM 0 H GLY A 53 5.991 -8.235 15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.899 -9.914 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.236 -11.018 15.717 1.00 0.00 H new ATOM 776 N PRO A 54 6.078 -9.977 17.947 1.00 0.00 N ATOM 777 CA PRO A 54 6.289 -9.650 19.360 1.00 0.00 C ATOM 778 C PRO A 54 6.615 -8.176 19.572 1.00 0.00 C ATOM 779 O PRO A 54 6.117 -7.549 20.507 1.00 0.00 O ATOM 780 CB PRO A 54 7.483 -10.523 19.752 1.00 0.00 C ATOM 781 CG PRO A 54 8.214 -10.760 18.475 1.00 0.00 C ATOM 782 CD PRO A 54 7.163 -10.807 17.400 1.00 0.00 C ATOM 0 HA PRO A 54 5.396 -9.832 19.958 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.117 -10.022 20.484 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.157 -11.461 20.202 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.933 -9.964 18.283 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.775 -11.694 18.514 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.536 -10.410 16.456 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.831 -11.827 17.207 1.00 0.00 H new ATOM 790 N GLU A 55 7.453 -7.628 18.698 1.00 0.00 N ATOM 791 CA GLU A 55 7.845 -6.226 18.791 1.00 0.00 C ATOM 792 C GLU A 55 8.126 -5.835 20.239 1.00 0.00 C ATOM 793 O GLU A 55 7.991 -4.671 20.618 1.00 0.00 O ATOM 794 CB GLU A 55 6.750 -5.328 18.212 1.00 0.00 C ATOM 795 CG GLU A 55 7.233 -3.933 17.853 1.00 0.00 C ATOM 796 CD GLU A 55 8.072 -3.913 16.590 1.00 0.00 C ATOM 797 OE1 GLU A 55 7.588 -4.407 15.550 1.00 0.00 O ATOM 798 OE2 GLU A 55 9.212 -3.406 16.642 1.00 0.00 O ATOM 0 H GLU A 55 7.874 -8.133 17.918 1.00 0.00 H new ATOM 0 HA GLU A 55 8.759 -6.091 18.212 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.338 -5.801 17.321 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.938 -5.247 18.935 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.372 -3.277 17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.818 -3.531 18.680 1.00 0.00 H new ATOM 805 N LYS A 56 8.517 -6.816 21.045 1.00 0.00 N ATOM 806 CA LYS A 56 8.818 -6.577 22.452 1.00 0.00 C ATOM 807 C LYS A 56 9.484 -5.218 22.642 1.00 0.00 C ATOM 808 O LYS A 56 10.261 -4.758 21.805 1.00 0.00 O ATOM 809 CB LYS A 56 9.727 -7.682 22.995 1.00 0.00 C ATOM 810 CG LYS A 56 11.150 -7.614 22.469 1.00 0.00 C ATOM 811 CD LYS A 56 11.311 -8.420 21.191 1.00 0.00 C ATOM 812 CE LYS A 56 11.652 -9.872 21.487 1.00 0.00 C ATOM 813 NZ LYS A 56 11.941 -10.639 20.244 1.00 0.00 N ATOM 0 H LYS A 56 8.633 -7.785 20.748 1.00 0.00 H new ATOM 0 HA LYS A 56 7.879 -6.583 23.005 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.748 -7.621 24.083 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.300 -8.651 22.738 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.420 -6.575 22.281 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.837 -7.990 23.227 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.389 -8.373 20.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.096 -7.978 20.578 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.517 -9.914 22.149 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.822 -10.339 22.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.169 -11.624 20.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.107 -10.621 19.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.749 -10.209 19.751 1.00 0.00 H new ATOM 827 N PRO A 57 9.176 -4.560 23.769 1.00 0.00 N ATOM 828 CA PRO A 57 9.736 -3.245 24.096 1.00 0.00 C ATOM 829 C PRO A 57 11.223 -3.314 24.427 1.00 0.00 C ATOM 830 O PRO A 57 11.987 -2.411 24.086 1.00 0.00 O ATOM 831 CB PRO A 57 8.933 -2.814 25.327 1.00 0.00 C ATOM 832 CG PRO A 57 8.479 -4.089 25.948 1.00 0.00 C ATOM 833 CD PRO A 57 8.257 -5.048 24.811 1.00 0.00 C ATOM 0 HA PRO A 57 9.664 -2.551 23.258 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.546 -2.234 26.017 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.087 -2.186 25.048 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.227 -4.473 26.642 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.562 -3.941 26.518 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.486 -6.074 25.100 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.221 -5.036 24.471 1.00 0.00 H new ATOM 841 N ARG A 58 11.626 -4.391 25.094 1.00 0.00 N ATOM 842 CA ARG A 58 13.022 -4.576 25.471 1.00 0.00 C ATOM 843 C ARG A 58 13.950 -4.231 24.310 1.00 0.00 C ATOM 844 O ARG A 58 14.733 -3.284 24.390 1.00 0.00 O ATOM 845 CB ARG A 58 13.264 -6.019 25.919 1.00 0.00 C ATOM 846 CG ARG A 58 14.590 -6.221 26.633 1.00 0.00 C ATOM 847 CD ARG A 58 14.508 -7.347 27.652 1.00 0.00 C ATOM 848 NE ARG A 58 15.544 -7.235 28.676 1.00 0.00 N ATOM 849 CZ ARG A 58 15.880 -8.227 29.493 1.00 0.00 C ATOM 850 NH1 ARG A 58 15.266 -9.399 29.406 1.00 0.00 N ATOM 851 NH2 ARG A 58 16.832 -8.048 30.399 1.00 0.00 N ATOM 0 H ARG A 58 11.006 -5.148 25.384 1.00 0.00 H new ATOM 0 HA ARG A 58 13.240 -3.903 26.300 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.454 -6.325 26.581 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.227 -6.672 25.047 1.00 0.00 H new ATOM 0 HG2 ARG A 58 15.367 -6.446 25.903 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.880 -5.297 27.133 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.527 -7.336 28.126 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.605 -8.305 27.142 1.00 0.00 H new ATOM 0 HE ARG A 58 16.036 -6.346 28.769 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.534 -9.541 28.710 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.526 -10.159 30.035 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.307 -7.148 30.469 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.089 -8.810 31.026 1.00 0.00 H new ATOM 865 N ARG A 59 13.857 -5.005 23.234 1.00 0.00 N ATOM 866 CA ARG A 59 14.689 -4.781 22.058 1.00 0.00 C ATOM 867 C ARG A 59 13.858 -4.235 20.900 1.00 0.00 C ATOM 868 O ARG A 59 12.841 -4.819 20.523 1.00 0.00 O ATOM 869 CB ARG A 59 15.375 -6.082 21.638 1.00 0.00 C ATOM 870 CG ARG A 59 16.688 -5.868 20.902 1.00 0.00 C ATOM 871 CD ARG A 59 17.827 -5.580 21.866 1.00 0.00 C ATOM 872 NE ARG A 59 19.120 -5.990 21.325 1.00 0.00 N ATOM 873 CZ ARG A 59 20.279 -5.472 21.717 1.00 0.00 C ATOM 874 NH1 ARG A 59 20.306 -4.529 22.648 1.00 0.00 N ATOM 875 NH2 ARG A 59 21.413 -5.898 21.177 1.00 0.00 N ATOM 0 H ARG A 59 13.214 -5.793 23.152 1.00 0.00 H new ATOM 0 HA ARG A 59 15.449 -4.044 22.316 1.00 0.00 H new ATOM 0 HB2 ARG A 59 15.560 -6.688 22.525 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.698 -6.650 20.999 1.00 0.00 H new ATOM 0 HG2 ARG A 59 16.924 -6.754 20.312 1.00 0.00 H new ATOM 0 HG3 ARG A 59 16.583 -5.038 20.203 1.00 0.00 H new ATOM 0 HD2 ARG A 59 17.850 -4.514 22.091 1.00 0.00 H new ATOM 0 HD3 ARG A 59 17.646 -6.101 22.806 1.00 0.00 H new ATOM 0 HE ARG A 59 19.134 -6.714 20.607 1.00 0.00 H new ATOM 0 HH11 ARG A 59 19.436 -4.199 23.065 1.00 0.00 H new ATOM 0 HH12 ARG A 59 21.197 -4.133 22.947 1.00 0.00 H new ATOM 0 HH21 ARG A 59 21.396 -6.624 20.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 22.302 -5.500 21.478 1.00 0.00 H new ATOM 889 N CYS A 60 14.298 -3.114 20.341 1.00 0.00 N ATOM 890 CA CYS A 60 13.594 -2.488 19.227 1.00 0.00 C ATOM 891 C CYS A 60 14.469 -2.460 17.978 1.00 0.00 C ATOM 892 O CYS A 60 15.626 -2.045 18.029 1.00 0.00 O ATOM 893 CB CYS A 60 13.169 -1.067 19.599 1.00 0.00 C ATOM 894 SG CYS A 60 11.771 -0.439 18.639 1.00 0.00 S ATOM 0 H CYS A 60 15.138 -2.620 20.640 1.00 0.00 H new ATOM 0 HA CYS A 60 12.705 -3.081 19.012 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.909 -1.042 20.657 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.019 -0.398 19.463 1.00 0.00 H new ATOM 0 HG CYS A 60 11.485 0.768 19.028 1.00 0.00 H new ATOM 900 N GLU A 61 13.909 -2.907 16.859 1.00 0.00 N ATOM 901 CA GLU A 61 14.640 -2.935 15.597 1.00 0.00 C ATOM 902 C GLU A 61 13.829 -2.279 14.484 1.00 0.00 C ATOM 903 O GLU A 61 12.623 -2.074 14.618 1.00 0.00 O ATOM 904 CB GLU A 61 14.982 -4.376 15.213 1.00 0.00 C ATOM 905 CG GLU A 61 16.222 -4.913 15.909 1.00 0.00 C ATOM 906 CD GLU A 61 16.209 -4.657 17.403 1.00 0.00 C ATOM 907 OE1 GLU A 61 15.218 -5.038 18.061 1.00 0.00 O ATOM 908 OE2 GLU A 61 17.189 -4.077 17.915 1.00 0.00 O ATOM 0 H GLU A 61 12.952 -3.255 16.800 1.00 0.00 H new ATOM 0 HA GLU A 61 15.564 -2.372 15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.134 -5.018 15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.129 -4.431 14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.300 -5.985 15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.108 -4.451 15.473 1.00 0.00 H new ATOM 915 N ALA A 62 14.501 -1.952 13.385 1.00 0.00 N ATOM 916 CA ALA A 62 13.843 -1.320 12.247 1.00 0.00 C ATOM 917 C ALA A 62 13.540 -2.339 11.154 1.00 0.00 C ATOM 918 O ALA A 62 13.737 -2.070 9.969 1.00 0.00 O ATOM 919 CB ALA A 62 14.706 -0.195 11.697 1.00 0.00 C ATOM 0 H ALA A 62 15.500 -2.114 13.258 1.00 0.00 H new ATOM 0 HA ALA A 62 12.897 -0.902 12.591 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.203 0.268 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.868 0.552 12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.666 -0.597 11.374 1.00 0.00 H new ATOM 925 N ALA A 63 13.059 -3.510 11.560 1.00 0.00 N ATOM 926 CA ALA A 63 12.727 -4.568 10.614 1.00 0.00 C ATOM 927 C ALA A 63 11.267 -4.480 10.182 1.00 0.00 C ATOM 928 O ALA A 63 10.647 -5.490 9.847 1.00 0.00 O ATOM 929 CB ALA A 63 13.017 -5.931 11.225 1.00 0.00 C ATOM 0 H ALA A 63 12.891 -3.749 12.537 1.00 0.00 H new ATOM 0 HA ALA A 63 13.349 -4.438 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.765 -6.712 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.075 -5.999 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.419 -6.060 12.127 1.00 0.00 H new ATOM 935 N ARG A 64 10.724 -3.267 10.191 1.00 0.00 N ATOM 936 CA ARG A 64 9.337 -3.048 9.802 1.00 0.00 C ATOM 937 C ARG A 64 9.256 -2.369 8.437 1.00 0.00 C ATOM 938 O ARG A 64 10.045 -1.477 8.128 1.00 0.00 O ATOM 939 CB ARG A 64 8.619 -2.196 10.850 1.00 0.00 C ATOM 940 CG ARG A 64 9.201 -0.801 11.004 1.00 0.00 C ATOM 941 CD ARG A 64 8.587 -0.068 12.187 1.00 0.00 C ATOM 942 NE ARG A 64 8.761 1.378 12.086 1.00 0.00 N ATOM 943 CZ ARG A 64 8.460 2.225 13.064 1.00 0.00 C ATOM 944 NH1 ARG A 64 7.973 1.772 14.210 1.00 0.00 N ATOM 945 NH2 ARG A 64 8.647 3.528 12.896 1.00 0.00 N ATOM 0 H ARG A 64 11.224 -2.421 10.464 1.00 0.00 H new ATOM 0 HA ARG A 64 8.847 -4.019 9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.566 -2.113 10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.662 -2.706 11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.281 -0.869 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.028 -0.231 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.524 -0.302 12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.043 -0.424 13.111 1.00 0.00 H new ATOM 0 HE ARG A 64 9.134 1.759 11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.829 0.771 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.743 2.424 14.960 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.022 3.880 12.015 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.416 4.178 13.648 1.00 0.00 H new ATOM 959 N LYS A 65 8.296 -2.798 7.625 1.00 0.00 N ATOM 960 CA LYS A 65 8.110 -2.233 6.294 1.00 0.00 C ATOM 961 C LYS A 65 6.827 -1.411 6.227 1.00 0.00 C ATOM 962 O LYS A 65 5.828 -1.746 6.863 1.00 0.00 O ATOM 963 CB LYS A 65 8.070 -3.347 5.245 1.00 0.00 C ATOM 964 CG LYS A 65 9.432 -3.945 4.941 1.00 0.00 C ATOM 965 CD LYS A 65 9.311 -5.351 4.377 1.00 0.00 C ATOM 966 CE LYS A 65 9.010 -5.329 2.886 1.00 0.00 C ATOM 967 NZ LYS A 65 10.109 -4.694 2.108 1.00 0.00 N ATOM 0 H LYS A 65 7.634 -3.536 7.866 1.00 0.00 H new ATOM 0 HA LYS A 65 8.954 -1.576 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.405 -4.138 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.642 -2.952 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.958 -3.310 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.032 -3.967 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.238 -5.896 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.520 -5.888 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.856 -6.348 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.081 -4.787 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.096 -5.053 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.977 -3.662 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.023 -4.922 2.549 1.00 0.00 H new ATOM 981 N VAL A 66 6.861 -0.332 5.450 1.00 0.00 N ATOM 982 CA VAL A 66 5.700 0.537 5.297 1.00 0.00 C ATOM 983 C VAL A 66 5.386 0.781 3.826 1.00 0.00 C ATOM 984 O VAL A 66 6.198 1.347 3.093 1.00 0.00 O ATOM 985 CB VAL A 66 5.917 1.892 5.996 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.870 2.761 5.191 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.588 2.600 6.210 1.00 0.00 C ATOM 0 H VAL A 66 7.680 -0.039 4.917 1.00 0.00 H new ATOM 0 HA VAL A 66 4.859 0.026 5.765 1.00 0.00 H new ATOM 0 HB VAL A 66 6.366 1.710 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.011 3.714 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.831 2.255 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.452 2.938 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.760 3.556 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.108 2.772 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.942 1.981 6.832 1.00 0.00 H new ATOM 997 N ILE A 67 4.203 0.351 3.399 1.00 0.00 N ATOM 998 CA ILE A 67 3.781 0.525 2.015 1.00 0.00 C ATOM 999 C ILE A 67 2.650 1.542 1.909 1.00 0.00 C ATOM 1000 O ILE A 67 1.478 1.202 2.074 1.00 0.00 O ATOM 1001 CB ILE A 67 3.319 -0.807 1.396 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.406 -1.872 1.554 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.967 -0.615 -0.072 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.861 -3.280 1.657 1.00 0.00 C ATOM 0 H ILE A 67 3.520 -0.120 3.992 1.00 0.00 H new ATOM 0 HA ILE A 67 4.648 0.891 1.464 1.00 0.00 H new ATOM 0 HB ILE A 67 2.426 -1.145 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.086 -1.815 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.992 -1.652 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.642 -1.565 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.163 0.116 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.843 -0.257 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.687 -3.983 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.204 -3.353 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.299 -3.519 0.754 1.00 0.00 H new ATOM 1016 N ARG A 68 3.008 2.791 1.630 1.00 0.00 N ATOM 1017 CA ARG A 68 2.023 3.858 1.500 1.00 0.00 C ATOM 1018 C ARG A 68 0.919 3.463 0.524 1.00 0.00 C ATOM 1019 O ARG A 68 1.189 2.925 -0.551 1.00 0.00 O ATOM 1020 CB ARG A 68 2.697 5.149 1.030 1.00 0.00 C ATOM 1021 CG ARG A 68 3.410 5.012 -0.305 1.00 0.00 C ATOM 1022 CD ARG A 68 4.782 4.376 -0.141 1.00 0.00 C ATOM 1023 NE ARG A 68 5.725 4.840 -1.155 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.024 4.566 -1.131 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.532 3.833 -0.150 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.818 5.024 -2.090 1.00 0.00 N ATOM 0 H ARG A 68 3.973 3.089 1.490 1.00 0.00 H new ATOM 0 HA ARG A 68 1.575 4.026 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.945 5.934 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.415 5.470 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.806 4.407 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.516 5.995 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.173 4.607 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.689 3.292 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 68 5.366 5.406 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.925 3.478 0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.530 3.624 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.431 5.587 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.816 4.813 -2.070 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.324 3.733 0.905 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.470 3.405 0.063 1.00 0.00 C ATOM 1042 C LEU A 69 -1.428 4.191 -1.243 1.00 0.00 C ATOM 1043 O LEU A 69 -2.185 3.910 -2.172 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.774 3.699 0.807 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.001 2.916 2.100 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.252 3.409 2.811 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.103 1.425 1.810 1.00 0.00 C ATOM 0 H LEU A 69 -0.565 4.178 1.791 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.425 2.342 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.803 4.763 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.607 3.497 0.133 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.146 3.081 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.397 2.840 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.140 4.466 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.117 3.275 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.265 0.883 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.939 1.242 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.179 1.081 1.346 1.00 0.00 H new ATOM 1059 N SER A 70 -0.537 5.175 -1.308 1.00 0.00 N ATOM 1060 CA SER A 70 -0.397 6.002 -2.500 1.00 0.00 C ATOM 1061 C SER A 70 0.345 5.249 -3.600 1.00 0.00 C ATOM 1062 O SER A 70 0.095 5.457 -4.788 1.00 0.00 O ATOM 1063 CB SER A 70 0.344 7.298 -2.164 1.00 0.00 C ATOM 1064 OG SER A 70 -0.562 8.318 -1.779 1.00 0.00 O ATOM 0 H SER A 70 0.099 5.419 -0.549 1.00 0.00 H new ATOM 0 HA SER A 70 -1.396 6.246 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.055 7.116 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.920 7.626 -3.029 1.00 0.00 H new ATOM 0 HG SER A 70 -0.064 9.135 -1.568 1.00 0.00 H new ATOM 1070 N ASP A 71 1.259 4.374 -3.196 1.00 0.00 N ATOM 1071 CA ASP A 71 2.038 3.588 -4.145 1.00 0.00 C ATOM 1072 C ASP A 71 1.183 2.493 -4.775 1.00 0.00 C ATOM 1073 O ASP A 71 1.396 2.109 -5.926 1.00 0.00 O ATOM 1074 CB ASP A 71 3.253 2.970 -3.452 1.00 0.00 C ATOM 1075 CG ASP A 71 4.431 3.922 -3.390 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.217 5.141 -3.552 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.568 3.447 -3.181 1.00 0.00 O ATOM 0 H ASP A 71 1.479 4.191 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 71 2.382 4.255 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.978 2.671 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.549 2.065 -3.982 1.00 0.00 H new ATOM 1082 N CYS A 72 0.217 1.992 -4.012 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.669 0.939 -4.495 1.00 0.00 C ATOM 1084 C CYS A 72 -1.262 1.306 -5.851 1.00 0.00 C ATOM 1085 O CYS A 72 -2.261 2.022 -5.930 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.790 0.685 -3.486 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.223 0.015 -1.905 1.00 0.00 S ATOM 0 H CYS A 72 0.028 2.298 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.081 0.029 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.319 1.621 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.509 -0.007 -3.925 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.243 -0.163 -1.119 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.640 0.812 -6.916 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.106 1.089 -8.270 1.00 0.00 C ATOM 1095 C LEU A 73 -2.547 0.626 -8.457 1.00 0.00 C ATOM 1096 O LEU A 73 -3.369 1.337 -9.035 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.200 0.400 -9.293 1.00 0.00 C ATOM 1098 CG LEU A 73 1.184 1.020 -9.488 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.153 -0.007 -10.053 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.101 2.235 -10.400 1.00 0.00 C ATOM 0 H LEU A 73 0.188 0.218 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.068 2.167 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.071 -0.640 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.712 0.393 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 73 1.556 1.345 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.133 0.452 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.236 -0.847 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.786 -0.363 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.095 2.663 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.708 1.935 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.440 2.979 -9.956 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.847 -0.571 -7.962 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.189 -1.129 -8.072 1.00 0.00 C ATOM 1114 C ARG A 74 -4.375 -2.295 -7.106 1.00 0.00 C ATOM 1115 O ARG A 74 -3.408 -2.941 -6.703 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.454 -1.594 -9.506 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.929 -1.626 -9.873 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.127 -1.801 -11.370 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.509 -2.136 -11.704 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.867 -2.736 -12.834 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -6.950 -3.064 -13.733 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.144 -3.008 -13.066 1.00 0.00 N ATOM 0 H ARG A 74 -2.178 -1.173 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.903 -0.347 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.931 -0.932 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.033 -2.591 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.419 -2.442 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.406 -0.702 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.843 -0.882 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.465 -2.587 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.239 -1.896 -11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.967 -2.856 -13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.227 -3.525 -14.600 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.852 -2.757 -12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.418 -3.469 -13.934 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.624 -2.557 -6.736 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.937 -3.645 -5.817 1.00 0.00 C ATOM 1138 C VAL A 75 -7.207 -4.374 -6.241 1.00 0.00 C ATOM 1139 O VAL A 75 -7.976 -3.877 -7.064 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.111 -3.130 -4.376 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.002 -2.152 -4.021 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.478 -2.485 -4.203 1.00 0.00 C ATOM 0 H VAL A 75 -6.436 -2.031 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.096 -4.338 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.046 -3.978 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.142 -1.799 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.037 -2.651 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.032 -1.304 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.584 -2.127 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.575 -1.647 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.256 -3.219 -4.413 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.422 -5.557 -5.674 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.600 -6.354 -5.991 1.00 0.00 C ATOM 1154 C ALA A 76 -8.831 -7.434 -4.939 1.00 0.00 C ATOM 1155 O ALA A 76 -8.040 -7.587 -4.010 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.458 -6.980 -7.370 1.00 0.00 C ATOM 0 H ALA A 76 -6.795 -5.984 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.466 -5.693 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.345 -7.573 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.349 -6.194 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.578 -7.623 -7.389 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.921 -8.179 -5.093 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.256 -9.244 -4.154 1.00 0.00 C ATOM 1164 C GLU A 77 -9.996 -10.615 -4.771 1.00 0.00 C ATOM 1165 O GLU A 77 -10.566 -10.960 -5.806 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.722 -9.135 -3.727 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.022 -7.900 -2.893 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.471 -7.466 -2.996 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.358 -8.263 -2.624 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.718 -6.328 -3.447 1.00 0.00 O ATOM 0 H GLU A 77 -10.586 -8.065 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.620 -9.133 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.351 -9.124 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.993 -10.023 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.780 -8.103 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.378 -7.082 -3.216 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.131 -11.392 -4.128 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.796 -12.726 -4.612 1.00 0.00 C ATOM 1179 C ALA A 78 -9.670 -13.786 -3.950 1.00 0.00 C ATOM 1180 O ALA A 78 -9.170 -14.791 -3.448 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.324 -13.022 -4.365 1.00 0.00 C ATOM 0 H ALA A 78 -8.649 -11.121 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.986 -12.755 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.087 -14.021 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.712 -12.289 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.116 -12.969 -3.296 1.00 0.00 H new ATOM 1187 N GLY A 79 -10.979 -13.553 -3.951 1.00 0.00 N ATOM 1188 CA GLY A 79 -11.901 -14.497 -3.347 1.00 0.00 C ATOM 1189 C GLY A 79 -12.084 -15.746 -4.185 1.00 0.00 C ATOM 1190 O GLY A 79 -12.753 -16.690 -3.767 1.00 0.00 O ATOM 0 H GLY A 79 -11.417 -12.727 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.535 -14.777 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.868 -14.015 -3.204 1.00 0.00 H new ATOM 1194 N GLY A 80 -11.488 -15.753 -5.373 1.00 0.00 N ATOM 1195 CA GLY A 80 -11.601 -16.901 -6.254 1.00 0.00 C ATOM 1196 C GLY A 80 -10.821 -18.098 -5.750 1.00 0.00 C ATOM 1197 O GLY A 80 -11.399 -19.042 -5.212 1.00 0.00 O ATOM 0 H GLY A 80 -10.929 -14.984 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.651 -17.173 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.242 -16.630 -7.247 1.00 0.00 H new ATOM 1201 N GLU A 81 -9.503 -18.060 -5.925 1.00 0.00 N ATOM 1202 CA GLU A 81 -8.643 -19.153 -5.486 1.00 0.00 C ATOM 1203 C GLU A 81 -7.277 -18.629 -5.054 1.00 0.00 C ATOM 1204 O GLU A 81 -6.712 -17.739 -5.689 1.00 0.00 O ATOM 1205 CB GLU A 81 -8.476 -20.182 -6.606 1.00 0.00 C ATOM 1206 CG GLU A 81 -9.630 -21.165 -6.705 1.00 0.00 C ATOM 1207 CD GLU A 81 -9.708 -21.838 -8.062 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -8.758 -22.565 -8.420 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -10.720 -21.637 -8.766 1.00 0.00 O ATOM 0 H GLU A 81 -9.009 -17.285 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.117 -19.633 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.373 -19.659 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.551 -20.735 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.522 -21.926 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.566 -20.642 -6.509 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.752 -19.188 -3.968 1.00 0.00 N ATOM 1217 CA ALA A 82 -5.452 -18.779 -3.451 1.00 0.00 C ATOM 1218 C ALA A 82 -4.994 -19.700 -2.325 1.00 0.00 C ATOM 1219 O ALA A 82 -5.810 -20.359 -1.679 1.00 0.00 O ATOM 1220 CB ALA A 82 -5.505 -17.338 -2.968 1.00 0.00 C ATOM 0 H ALA A 82 -7.207 -19.925 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.727 -18.852 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.527 -17.047 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.779 -16.686 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.247 -17.247 -2.175 1.00 0.00 H new ATOM 1226 N SER A 83 -3.686 -19.742 -2.095 1.00 0.00 N ATOM 1227 CA SER A 83 -3.120 -20.587 -1.050 1.00 0.00 C ATOM 1228 C SER A 83 -3.981 -20.544 0.209 1.00 0.00 C ATOM 1229 O SER A 83 -4.061 -21.521 0.953 1.00 0.00 O ATOM 1230 CB SER A 83 -1.694 -20.141 -0.721 1.00 0.00 C ATOM 1231 OG SER A 83 -0.788 -20.540 -1.735 1.00 0.00 O ATOM 0 H SER A 83 -2.998 -19.201 -2.618 1.00 0.00 H new ATOM 0 HA SER A 83 -3.097 -21.612 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.665 -19.057 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.387 -20.568 0.234 1.00 0.00 H new ATOM 0 HG SER A 83 0.116 -20.242 -1.502 1.00 0.00 H new ATOM 1237 N SER A 84 -4.624 -19.404 0.439 1.00 0.00 N ATOM 1238 CA SER A 84 -5.477 -19.231 1.609 1.00 0.00 C ATOM 1239 C SER A 84 -6.621 -20.240 1.602 1.00 0.00 C ATOM 1240 O SER A 84 -7.135 -20.626 0.552 1.00 0.00 O ATOM 1241 CB SER A 84 -6.038 -17.808 1.652 1.00 0.00 C ATOM 1242 OG SER A 84 -6.895 -17.564 0.550 1.00 0.00 O ATOM 0 H SER A 84 -4.571 -18.587 -0.169 1.00 0.00 H new ATOM 0 HA SER A 84 -4.870 -19.402 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.585 -17.658 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.218 -17.090 1.645 1.00 0.00 H new ATOM 0 HG SER A 84 -7.242 -16.649 0.602 1.00 0.00 H new ATOM 1248 N PRO A 85 -7.030 -20.678 2.802 1.00 0.00 N ATOM 1249 CA PRO A 85 -8.118 -21.648 2.962 1.00 0.00 C ATOM 1250 C PRO A 85 -9.478 -21.058 2.604 1.00 0.00 C ATOM 1251 O PRO A 85 -9.669 -19.842 2.650 1.00 0.00 O ATOM 1252 CB PRO A 85 -8.063 -22.001 4.450 1.00 0.00 C ATOM 1253 CG PRO A 85 -7.437 -20.814 5.098 1.00 0.00 C ATOM 1254 CD PRO A 85 -6.463 -20.260 4.095 1.00 0.00 C ATOM 0 HA PRO A 85 -7.998 -22.507 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.059 -22.190 4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.474 -22.902 4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.190 -20.071 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.929 -21.095 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.385 -19.175 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.461 -20.662 4.243 1.00 0.00 H new ATOM 1262 N ARG A 86 -10.420 -21.925 2.249 1.00 0.00 N ATOM 1263 CA ARG A 86 -11.762 -21.489 1.883 1.00 0.00 C ATOM 1264 C ARG A 86 -12.401 -20.689 3.014 1.00 0.00 C ATOM 1265 O ARG A 86 -13.375 -19.967 2.803 1.00 0.00 O ATOM 1266 CB ARG A 86 -12.637 -22.696 1.539 1.00 0.00 C ATOM 1267 CG ARG A 86 -12.864 -23.637 2.711 1.00 0.00 C ATOM 1268 CD ARG A 86 -14.132 -24.457 2.529 1.00 0.00 C ATOM 1269 NE ARG A 86 -14.108 -25.684 3.322 1.00 0.00 N ATOM 1270 CZ ARG A 86 -14.982 -26.673 3.171 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -15.944 -26.580 2.263 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -14.896 -27.758 3.930 1.00 0.00 N ATOM 0 H ARG A 86 -10.279 -22.934 2.207 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.682 -20.846 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.602 -22.343 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.172 -23.250 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.009 -24.305 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.931 -23.061 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.996 -23.857 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.253 -24.708 1.475 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.381 -25.787 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.014 -25.747 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.613 -27.341 2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.158 -27.833 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.568 -28.517 3.813 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.846 -20.824 4.213 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.361 -20.113 5.378 1.00 0.00 C ATOM 1288 C ASP A 87 -11.771 -18.709 5.462 1.00 0.00 C ATOM 1289 O ASP A 87 -11.851 -18.051 6.500 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.044 -20.890 6.657 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.000 -20.560 7.786 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.047 -19.382 8.199 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.702 -21.479 8.257 1.00 0.00 O ATOM 0 H ASP A 87 -11.040 -21.419 4.404 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.442 -20.028 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.087 -21.959 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.024 -20.667 6.971 1.00 0.00 H new ATOM 1298 N THR A 88 -11.178 -18.254 4.362 1.00 0.00 N ATOM 1299 CA THR A 88 -10.573 -16.929 4.312 1.00 0.00 C ATOM 1300 C THR A 88 -10.656 -16.340 2.909 1.00 0.00 C ATOM 1301 O THR A 88 -11.010 -17.032 1.954 1.00 0.00 O ATOM 1302 CB THR A 88 -9.098 -16.968 4.754 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.396 -17.982 4.027 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.987 -17.239 6.247 1.00 0.00 C ATOM 0 H THR A 88 -11.104 -18.784 3.494 1.00 0.00 H new ATOM 0 HA THR A 88 -11.134 -16.299 5.002 1.00 0.00 H new ATOM 0 HB THR A 88 -8.653 -15.996 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.978 -18.344 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.936 -17.262 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.498 -16.450 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.448 -18.200 6.478 1.00 0.00 H new ATOM 1312 N SER A 89 -10.327 -15.057 2.790 1.00 0.00 N ATOM 1313 CA SER A 89 -10.368 -14.374 1.503 1.00 0.00 C ATOM 1314 C SER A 89 -9.196 -13.407 1.364 1.00 0.00 C ATOM 1315 O SER A 89 -9.181 -12.340 1.977 1.00 0.00 O ATOM 1316 CB SER A 89 -11.688 -13.618 1.344 1.00 0.00 C ATOM 1317 OG SER A 89 -12.791 -14.508 1.364 1.00 0.00 O ATOM 0 H SER A 89 -10.029 -14.470 3.570 1.00 0.00 H new ATOM 0 HA SER A 89 -10.292 -15.126 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.791 -12.888 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.682 -13.062 0.406 1.00 0.00 H new ATOM 0 HG SER A 89 -13.623 -14.000 1.262 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.215 -13.789 0.553 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.039 -12.956 0.331 1.00 0.00 C ATOM 1325 C ALA A 90 -7.334 -11.845 -0.670 1.00 0.00 C ATOM 1326 O ALA A 90 -8.274 -11.941 -1.460 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.873 -13.807 -0.150 1.00 0.00 C ATOM 0 H ALA A 90 -8.211 -14.670 0.039 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.769 -12.492 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.002 -13.172 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.638 -14.561 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.143 -14.298 -1.085 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.527 -10.790 -0.632 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.703 -9.659 -1.535 1.00 0.00 C ATOM 1335 C PHE A 91 -5.412 -9.362 -2.292 1.00 0.00 C ATOM 1336 O PHE A 91 -4.331 -9.795 -1.893 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.147 -8.420 -0.755 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.167 -7.992 0.299 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.086 -8.671 1.505 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.326 -6.913 0.084 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.185 -8.278 2.476 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.422 -6.516 1.052 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.351 -7.200 2.250 1.00 0.00 C ATOM 0 H PHE A 91 -5.744 -10.695 0.015 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.476 -9.920 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.300 -7.597 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.109 -8.622 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.734 -9.516 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.377 -6.375 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.133 -8.814 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.772 -5.672 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.645 -6.893 3.008 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.533 -8.620 -3.388 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.377 -8.265 -4.203 1.00 0.00 C ATOM 1355 C PHE A 92 -3.799 -6.922 -3.770 1.00 0.00 C ATOM 1356 O PHE A 92 -4.451 -6.149 -3.067 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.766 -8.213 -5.682 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.800 -9.562 -6.341 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.634 -10.155 -6.798 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.999 -10.239 -6.503 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.663 -11.396 -7.405 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.034 -11.480 -7.110 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.864 -12.060 -7.560 1.00 0.00 C ATOM 0 H PHE A 92 -6.420 -8.253 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.615 -9.031 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.747 -7.747 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.059 -7.576 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.692 -9.641 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.916 -9.791 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.747 -11.846 -7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.975 -11.996 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.888 -13.031 -8.032 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.569 -6.650 -4.194 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.900 -5.400 -3.850 1.00 0.00 C ATOM 1375 C LEU A 93 -0.701 -5.156 -4.761 1.00 0.00 C ATOM 1376 O LEU A 93 0.335 -5.804 -4.625 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.449 -5.425 -2.389 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.205 -4.063 -1.738 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.473 -4.227 -0.415 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.420 -3.157 -2.675 1.00 0.00 C ATOM 0 H LEU A 93 -2.015 -7.278 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.611 -4.585 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.203 -5.954 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.529 -6.007 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.171 -3.598 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.308 -3.247 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.073 -4.839 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.487 -4.713 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.256 -2.192 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.541 -3.616 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.983 -3.012 -3.597 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.850 -4.214 -5.687 1.00 0.00 N ATOM 1393 CA GLU A 94 0.222 -3.884 -6.619 1.00 0.00 C ATOM 1394 C GLU A 94 0.765 -2.483 -6.349 1.00 0.00 C ATOM 1395 O GLU A 94 0.023 -1.500 -6.378 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.279 -3.979 -8.062 1.00 0.00 C ATOM 1397 CG GLU A 94 0.837 -3.999 -9.093 1.00 0.00 C ATOM 1398 CD GLU A 94 0.315 -3.992 -10.517 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.744 -3.374 -10.757 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.965 -4.604 -11.390 1.00 0.00 O ATOM 0 H GLU A 94 -1.702 -3.666 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 94 1.029 -4.602 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.879 -4.882 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.936 -3.134 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.482 -3.133 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.452 -4.885 -8.940 1.00 0.00 H new ATOM 1407 N THR A 95 2.065 -2.399 -6.086 1.00 0.00 N ATOM 1408 CA THR A 95 2.708 -1.121 -5.809 1.00 0.00 C ATOM 1409 C THR A 95 3.941 -0.926 -6.683 1.00 0.00 C ATOM 1410 O THR A 95 4.508 -1.889 -7.200 1.00 0.00 O ATOM 1411 CB THR A 95 3.119 -1.008 -4.329 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.289 -1.795 -4.083 1.00 0.00 O ATOM 1413 CG2 THR A 95 1.991 -1.469 -3.417 1.00 0.00 C ATOM 0 H THR A 95 2.694 -3.202 -6.059 1.00 0.00 H new ATOM 0 HA THR A 95 1.978 -0.344 -6.036 1.00 0.00 H new ATOM 0 HB THR A 95 3.334 0.039 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.220 -2.644 -4.567 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.305 -1.380 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.111 -0.848 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.749 -2.509 -3.635 1.00 0.00 H new ATOM 1421 N LYS A 96 4.354 0.327 -6.844 1.00 0.00 N ATOM 1422 CA LYS A 96 5.522 0.650 -7.654 1.00 0.00 C ATOM 1423 C LYS A 96 6.646 -0.352 -7.413 1.00 0.00 C ATOM 1424 O LYS A 96 7.313 -0.788 -8.350 1.00 0.00 O ATOM 1425 CB LYS A 96 6.011 2.066 -7.340 1.00 0.00 C ATOM 1426 CG LYS A 96 5.182 3.156 -7.997 1.00 0.00 C ATOM 1427 CD LYS A 96 5.722 3.515 -9.371 1.00 0.00 C ATOM 1428 CE LYS A 96 4.732 4.362 -10.156 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.101 4.457 -11.595 1.00 0.00 N ATOM 0 H LYS A 96 3.896 1.136 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 96 5.231 0.597 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.000 2.214 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.047 2.164 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.148 2.824 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.178 4.043 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.661 4.058 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.942 2.603 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.734 3.932 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.689 5.362 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.402 5.042 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.042 4.890 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.117 3.505 -12.013 1.00 0.00 H new ATOM 1443 N GLU A 97 6.849 -0.714 -6.149 1.00 0.00 N ATOM 1444 CA GLU A 97 7.892 -1.666 -5.786 1.00 0.00 C ATOM 1445 C GLU A 97 7.654 -3.016 -6.458 1.00 0.00 C ATOM 1446 O GLU A 97 8.409 -3.422 -7.342 1.00 0.00 O ATOM 1447 CB GLU A 97 7.946 -1.842 -4.267 1.00 0.00 C ATOM 1448 CG GLU A 97 9.329 -2.192 -3.744 1.00 0.00 C ATOM 1449 CD GLU A 97 9.302 -2.688 -2.311 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.569 -2.096 -1.492 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.016 -3.668 -2.010 1.00 0.00 O ATOM 0 H GLU A 97 6.305 -0.362 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 97 8.847 -1.270 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.609 -0.921 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.247 -2.626 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.771 -2.958 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.971 -1.313 -3.809 1.00 0.00 H new ATOM 1458 N ARG A 98 6.602 -3.705 -6.030 1.00 0.00 N ATOM 1459 CA ARG A 98 6.266 -5.010 -6.588 1.00 0.00 C ATOM 1460 C ARG A 98 4.849 -5.420 -6.195 1.00 0.00 C ATOM 1461 O ARG A 98 4.182 -4.728 -5.426 1.00 0.00 O ATOM 1462 CB ARG A 98 7.265 -6.065 -6.111 1.00 0.00 C ATOM 1463 CG ARG A 98 7.222 -6.311 -4.611 1.00 0.00 C ATOM 1464 CD ARG A 98 6.233 -7.410 -4.255 1.00 0.00 C ATOM 1465 NE ARG A 98 6.610 -8.696 -4.836 1.00 0.00 N ATOM 1466 CZ ARG A 98 6.219 -9.867 -4.347 1.00 0.00 C ATOM 1467 NH1 ARG A 98 5.442 -9.914 -3.274 1.00 0.00 N ATOM 1468 NH2 ARG A 98 6.604 -10.994 -4.931 1.00 0.00 N ATOM 0 H ARG A 98 5.968 -3.382 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 98 6.317 -4.937 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.066 -7.003 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.271 -5.753 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.216 -6.586 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.945 -5.390 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.173 -7.506 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.240 -7.131 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 98 7.207 -8.694 -5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.143 -9.050 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.143 -10.815 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.201 -10.962 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.303 -11.893 -4.554 1.00 0.00 H new ATOM 1482 N LEU A 99 4.397 -6.550 -6.729 1.00 0.00 N ATOM 1483 CA LEU A 99 3.060 -7.053 -6.435 1.00 0.00 C ATOM 1484 C LEU A 99 3.070 -7.929 -5.186 1.00 0.00 C ATOM 1485 O LEU A 99 3.701 -8.986 -5.162 1.00 0.00 O ATOM 1486 CB LEU A 99 2.520 -7.848 -7.625 1.00 0.00 C ATOM 1487 CG LEU A 99 1.174 -8.543 -7.412 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.054 -7.519 -7.317 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.901 -9.532 -8.536 1.00 0.00 C ATOM 0 H LEU A 99 4.937 -7.135 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 99 2.409 -6.198 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.427 -7.173 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.257 -8.603 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 99 1.216 -9.094 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.896 -8.032 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.243 -6.850 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.011 -6.940 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.061 -10.017 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.879 -9.003 -9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.689 -10.285 -8.557 1.00 0.00 H new ATOM 1501 N TYR A 100 2.365 -7.484 -4.152 1.00 0.00 N ATOM 1502 CA TYR A 100 2.293 -8.227 -2.899 1.00 0.00 C ATOM 1503 C TYR A 100 0.964 -8.966 -2.780 1.00 0.00 C ATOM 1504 O TYR A 100 -0.100 -8.399 -3.030 1.00 0.00 O ATOM 1505 CB TYR A 100 2.472 -7.281 -1.710 1.00 0.00 C ATOM 1506 CG TYR A 100 3.765 -6.498 -1.748 1.00 0.00 C ATOM 1507 CD1 TYR A 100 3.890 -5.364 -2.543 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.861 -6.891 -0.991 1.00 0.00 C ATOM 1509 CE1 TYR A 100 5.069 -4.646 -2.582 1.00 0.00 C ATOM 1510 CE2 TYR A 100 6.044 -6.177 -1.023 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.143 -5.056 -1.819 1.00 0.00 C ATOM 1512 OH TYR A 100 7.319 -4.343 -1.855 1.00 0.00 O ATOM 0 H TYR A 100 1.835 -6.612 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 100 3.098 -8.962 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.635 -6.583 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.435 -7.860 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.051 -5.039 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.788 -7.769 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.150 -3.768 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.887 -6.496 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 100 7.182 -3.465 -1.441 1.00 0.00 H new ATOM 1522 N LEU A 101 1.034 -10.236 -2.396 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.163 -11.055 -2.242 1.00 0.00 C ATOM 1524 C LEU A 101 -0.364 -11.457 -0.784 1.00 0.00 C ATOM 1525 O LEU A 101 0.229 -12.426 -0.309 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.066 -12.305 -3.119 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.172 -13.344 -2.932 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.489 -12.828 -3.493 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.787 -14.658 -3.595 1.00 0.00 C ATOM 0 H LEU A 101 1.907 -10.721 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.022 -10.463 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.062 -11.992 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.893 -12.786 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.300 -13.522 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.265 -13.581 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.772 -11.913 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.375 -12.621 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.586 -15.386 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.631 -14.495 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.132 -15.036 -3.147 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.206 -10.708 -0.081 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.489 -10.987 1.323 1.00 0.00 C ATOM 1543 C LEU A 102 -2.857 -11.642 1.484 1.00 0.00 C ATOM 1544 O LEU A 102 -3.698 -11.572 0.589 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.429 -9.697 2.142 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.057 -9.029 2.243 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.163 -8.083 1.072 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.078 -8.286 3.564 1.00 0.00 C ATOM 0 H LEU A 102 -1.705 -9.903 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.731 -11.679 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.128 -8.982 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.780 -9.914 3.151 1.00 0.00 H new ATOM 0 HG LEU A 102 0.708 -9.805 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.144 -7.617 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.110 -8.642 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.607 -7.312 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.060 -7.817 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.694 -7.520 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.035 -8.988 4.390 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.072 -12.277 2.631 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.339 -12.941 2.911 1.00 0.00 C ATOM 1562 C ALA A 103 -5.084 -12.245 4.046 1.00 0.00 C ATOM 1563 O ALA A 103 -4.470 -11.647 4.929 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.105 -14.405 3.251 1.00 0.00 C ATOM 0 H ALA A 103 -2.385 -12.346 3.382 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.957 -12.882 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.060 -14.888 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.622 -14.901 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.465 -14.476 4.130 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.410 -12.328 4.015 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.238 -11.708 5.042 1.00 0.00 C ATOM 1572 C ALA A 104 -8.532 -12.489 5.250 1.00 0.00 C ATOM 1573 O ALA A 104 -9.020 -13.178 4.354 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.544 -10.265 4.673 1.00 0.00 C ATOM 0 H ALA A 104 -6.934 -12.818 3.290 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.682 -11.722 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.163 -9.814 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.612 -9.707 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.077 -10.238 3.722 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.101 -12.381 6.459 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.346 -13.070 6.813 1.00 0.00 C ATOM 1582 C PRO A 105 -11.555 -12.494 6.083 1.00 0.00 C ATOM 1583 O PRO A 105 -11.889 -11.321 6.247 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.468 -12.832 8.320 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.704 -11.578 8.568 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.575 -11.577 7.575 1.00 0.00 C ATOM 0 HA PRO A 105 -10.322 -14.124 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.510 -12.727 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.055 -13.666 8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.339 -10.702 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.325 -11.548 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.321 -10.566 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.670 -12.016 7.995 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.207 -13.326 5.278 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.380 -12.900 4.526 1.00 0.00 C ATOM 1596 C ALA A 106 -14.310 -12.057 5.391 1.00 0.00 C ATOM 1597 O ALA A 106 -15.108 -11.271 4.880 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.121 -14.109 3.973 1.00 0.00 C ATOM 0 H ALA A 106 -11.942 -14.300 5.130 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.043 -12.283 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.995 -13.775 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.460 -14.670 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.440 -14.748 4.796 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.204 -12.226 6.705 1.00 0.00 N ATOM 1605 CA ALA A 107 -15.035 -11.480 7.642 1.00 0.00 C ATOM 1606 C ALA A 107 -14.664 -10.001 7.647 1.00 0.00 C ATOM 1607 O ALA A 107 -15.536 -9.134 7.678 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.907 -12.063 9.041 1.00 0.00 C ATOM 0 H ALA A 107 -13.550 -12.874 7.145 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.072 -11.567 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.533 -11.496 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.228 -13.104 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.868 -12.007 9.365 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.365 -9.721 7.616 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.880 -8.346 7.618 1.00 0.00 C ATOM 1616 C GLU A 108 -12.612 -7.861 6.196 1.00 0.00 C ATOM 1617 O GLU A 108 -12.600 -6.659 5.931 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.605 -8.233 8.456 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.688 -8.953 9.791 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.469 -8.713 10.660 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.339 -8.806 10.135 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.644 -8.433 11.865 1.00 0.00 O ATOM 0 H GLU A 108 -12.630 -10.428 7.589 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.653 -7.716 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.769 -8.638 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.389 -7.179 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.580 -8.622 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.800 -10.023 9.616 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.397 -8.805 5.286 1.00 0.00 N ATOM 1630 CA ARG A 109 -12.128 -8.475 3.892 1.00 0.00 C ATOM 1631 C ARG A 109 -13.058 -7.367 3.406 1.00 0.00 C ATOM 1632 O ARG A 109 -12.609 -6.361 2.859 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.290 -9.715 3.011 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.802 -9.518 1.585 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.534 -10.430 0.614 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.858 -9.916 0.273 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.671 -10.501 -0.600 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.298 -11.614 -1.216 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.860 -9.972 -0.858 1.00 0.00 N ATOM 0 H ARG A 109 -12.404 -9.805 5.489 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.100 -8.120 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.744 -10.544 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.342 -10.000 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.948 -8.479 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.731 -9.716 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.943 -10.541 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.633 -11.423 1.053 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.176 -9.061 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.385 -12.024 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.924 -12.061 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.150 -9.116 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.484 -10.422 -1.528 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.358 -7.561 3.609 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.331 -6.571 3.185 1.00 0.00 C ATOM 1655 C GLY A 110 -14.867 -5.152 3.448 1.00 0.00 C ATOM 1656 O GLY A 110 -14.919 -4.301 2.560 1.00 0.00 O ATOM 0 H GLY A 110 -14.754 -8.386 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.529 -6.694 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.272 -6.745 3.706 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.412 -4.897 4.670 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.938 -3.571 5.047 1.00 0.00 C ATOM 1662 C ASP A 111 -12.532 -3.324 4.509 1.00 0.00 C ATOM 1663 O ASP A 111 -12.299 -2.368 3.768 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.949 -3.416 6.569 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.535 -4.687 7.284 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.416 -5.526 7.560 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.328 -4.841 7.567 1.00 0.00 O ATOM 0 H ASP A 111 -14.362 -5.591 5.416 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.611 -2.833 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.276 -2.607 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -14.949 -3.129 6.895 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.598 -4.189 4.887 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.215 -4.064 4.443 1.00 0.00 C ATOM 1674 C TRP A 112 -10.147 -3.514 3.023 1.00 0.00 C ATOM 1675 O TRP A 112 -9.718 -2.380 2.806 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.510 -5.420 4.513 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.901 -5.705 5.852 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -9.211 -6.738 6.690 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.880 -4.946 6.509 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.443 -6.667 7.828 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.619 -5.577 7.740 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.161 -3.795 6.175 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.669 -5.094 8.637 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.219 -3.317 7.066 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.979 -3.966 8.285 1.00 0.00 C ATOM 0 H TRP A 112 -11.773 -4.985 5.500 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.708 -3.365 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.226 -6.206 4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.730 -5.456 3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.951 -7.499 6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.481 -7.320 8.611 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.338 -3.288 5.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.484 -5.592 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.658 -2.428 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.235 -3.568 8.959 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.572 -4.323 2.058 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.560 -3.916 0.658 1.00 0.00 C ATOM 1698 C VAL A 113 -11.236 -2.562 0.474 1.00 0.00 C ATOM 1699 O VAL A 113 -10.781 -1.734 -0.315 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.265 -4.955 -0.234 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.347 -4.458 -1.669 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.545 -6.293 -0.164 1.00 0.00 C ATOM 0 H VAL A 113 -10.929 -5.265 2.220 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.515 -3.841 0.359 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.281 -5.096 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.848 -5.205 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.910 -3.525 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.341 -4.287 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.057 -7.015 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.517 -6.172 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.544 -6.652 0.865 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.322 -2.344 1.208 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.060 -1.089 1.125 1.00 0.00 C ATOM 1714 C GLN A 114 -12.191 0.084 1.563 1.00 0.00 C ATOM 1715 O GLN A 114 -11.841 0.946 0.757 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.321 -1.157 1.989 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.450 -0.270 1.488 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.553 -0.095 2.513 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -16.796 -0.977 3.337 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.227 1.048 2.468 1.00 0.00 N ATOM 0 H GLN A 114 -12.710 -3.019 1.866 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.348 -0.934 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.670 -2.189 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.068 -0.868 3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.048 0.708 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.869 -0.701 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.992 1.752 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.980 1.223 3.134 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.845 0.111 2.846 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.015 1.178 3.392 1.00 0.00 C ATOM 1731 C ALA A 115 -9.787 1.418 2.520 1.00 0.00 C ATOM 1732 O ALA A 115 -9.537 2.542 2.081 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.595 0.844 4.816 1.00 0.00 C ATOM 0 H ALA A 115 -12.127 -0.594 3.527 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.606 2.094 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.976 1.649 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.482 0.729 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.026 -0.086 4.819 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.026 0.358 2.272 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.825 0.455 1.452 1.00 0.00 C ATOM 1741 C ILE A 116 -8.141 1.049 0.083 1.00 0.00 C ATOM 1742 O ILE A 116 -7.460 1.965 -0.380 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.160 -0.921 1.261 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.682 -1.471 2.607 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.000 -0.818 0.282 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.319 -2.939 2.564 1.00 0.00 C ATOM 0 H ILE A 116 -9.220 -0.578 2.627 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.135 1.112 1.981 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.897 -1.610 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.814 -0.900 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.464 -1.320 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.541 -1.799 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.367 -0.465 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.260 -0.117 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.989 -3.261 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.191 -3.521 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.515 -3.094 1.844 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.177 0.522 -0.559 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.585 1.000 -1.875 1.00 0.00 C ATOM 1760 C CYS A 117 -10.221 2.383 -1.778 1.00 0.00 C ATOM 1761 O CYS A 117 -10.308 3.109 -2.769 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.566 0.018 -2.517 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.992 0.412 -4.229 1.00 0.00 S ATOM 0 H CYS A 117 -9.750 -0.237 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.695 1.072 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.136 -0.983 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.480 -0.007 -1.923 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.908 1.696 -4.412 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.667 2.740 -0.579 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.297 4.036 -0.352 1.00 0.00 C ATOM 1771 C LEU A 118 -10.248 5.124 -0.147 1.00 0.00 C ATOM 1772 O LEU A 118 -10.493 6.298 -0.427 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.224 3.969 0.863 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.670 3.559 0.583 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.422 3.330 1.885 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.370 4.616 -0.259 1.00 0.00 C ATOM 0 H LEU A 118 -10.604 2.151 0.251 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.884 4.286 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.800 3.265 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.232 4.947 1.343 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.660 2.624 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.449 3.039 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.934 2.538 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.423 4.249 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.398 4.308 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.369 5.566 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.845 4.732 -1.207 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.079 4.726 0.342 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.990 5.667 0.583 1.00 0.00 C ATOM 1790 C LEU A 119 -6.949 5.591 -0.529 1.00 0.00 C ATOM 1791 O LEU A 119 -6.626 6.597 -1.160 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.332 5.380 1.934 1.00 0.00 C ATOM 1793 CG LEU A 119 -8.084 5.884 3.167 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.545 5.225 4.427 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.983 7.399 3.270 1.00 0.00 C ATOM 0 H LEU A 119 -8.860 3.758 0.579 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.408 6.674 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.199 4.302 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.337 5.825 1.933 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.135 5.616 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.092 5.596 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.669 4.145 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.487 5.462 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.524 7.741 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.935 7.689 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.418 7.854 2.380 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.428 4.391 -0.764 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.427 4.183 -1.803 1.00 0.00 C ATOM 1809 C ALA A 120 -5.851 4.837 -3.113 1.00 0.00 C ATOM 1810 O ALA A 120 -5.012 5.188 -3.943 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.181 2.695 -2.008 1.00 0.00 C ATOM 0 H ALA A 120 -6.683 3.548 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.498 4.652 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.431 2.554 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.825 2.253 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.110 2.210 -2.307 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.158 4.998 -3.293 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.693 5.609 -4.504 1.00 0.00 C ATOM 1819 C PHE A 121 -8.679 6.722 -4.162 1.00 0.00 C ATOM 1820 O PHE A 121 -9.691 6.900 -4.839 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.381 4.553 -5.372 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.576 3.296 -5.537 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.452 2.394 -4.493 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.942 3.016 -6.737 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.712 1.236 -4.642 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.201 1.859 -6.892 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.085 0.969 -5.843 1.00 0.00 C ATOM 0 H PHE A 121 -7.866 4.714 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.862 6.042 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.345 4.302 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.583 4.978 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.939 2.598 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.028 3.709 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.624 0.541 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.713 1.652 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.505 0.066 -5.961 1.00 0.00 H new ATOM 1837 N SER A 122 -8.375 7.469 -3.105 1.00 0.00 N ATOM 1838 CA SER A 122 -9.235 8.562 -2.668 1.00 0.00 C ATOM 1839 C SER A 122 -9.208 9.709 -3.674 1.00 0.00 C ATOM 1840 O SER A 122 -8.516 10.707 -3.475 1.00 0.00 O ATOM 1841 CB SER A 122 -8.798 9.065 -1.291 1.00 0.00 C ATOM 1842 OG SER A 122 -7.394 9.251 -1.238 1.00 0.00 O ATOM 0 H SER A 122 -7.539 7.337 -2.536 1.00 0.00 H new ATOM 0 HA SER A 122 -10.255 8.184 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.301 10.006 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.103 8.351 -0.526 1.00 0.00 H new ATOM 0 HG SER A 122 -6.956 8.390 -1.075 1.00 0.00 H new ATOM 1848 N GLY A 123 -9.966 9.558 -4.756 1.00 0.00 N ATOM 1849 CA GLY A 123 -10.014 10.588 -5.777 1.00 0.00 C ATOM 1850 C GLY A 123 -8.884 10.464 -6.780 1.00 0.00 C ATOM 1851 O GLY A 123 -7.800 9.971 -6.468 1.00 0.00 O ATOM 0 H GLY A 123 -10.547 8.741 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -10.968 10.532 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.968 11.568 -5.302 1.00 0.00 H new ATOM 1855 N PRO A 124 -9.134 10.917 -8.017 1.00 0.00 N ATOM 1856 CA PRO A 124 -8.141 10.864 -9.095 1.00 0.00 C ATOM 1857 C PRO A 124 -6.986 11.833 -8.867 1.00 0.00 C ATOM 1858 O PRO A 124 -6.813 12.360 -7.768 1.00 0.00 O ATOM 1859 CB PRO A 124 -8.942 11.268 -10.335 1.00 0.00 C ATOM 1860 CG PRO A 124 -10.067 12.091 -9.808 1.00 0.00 C ATOM 1861 CD PRO A 124 -10.404 11.516 -8.460 1.00 0.00 C ATOM 0 HA PRO A 124 -7.676 9.881 -9.173 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.329 11.837 -11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -9.309 10.393 -10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -9.778 13.139 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -10.927 12.050 -10.476 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -10.748 12.286 -7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -11.197 10.772 -8.528 1.00 0.00 H new ATOM 1869 N SER A 125 -6.199 12.064 -9.913 1.00 0.00 N ATOM 1870 CA SER A 125 -5.058 12.968 -9.825 1.00 0.00 C ATOM 1871 C SER A 125 -5.213 14.134 -10.797 1.00 0.00 C ATOM 1872 O SER A 125 -5.232 15.296 -10.391 1.00 0.00 O ATOM 1873 CB SER A 125 -3.759 12.214 -10.119 1.00 0.00 C ATOM 1874 OG SER A 125 -3.574 11.144 -9.208 1.00 0.00 O ATOM 0 H SER A 125 -6.330 11.638 -10.830 1.00 0.00 H new ATOM 0 HA SER A 125 -5.018 13.365 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.781 11.828 -11.138 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.914 12.900 -10.056 1.00 0.00 H new ATOM 0 HG SER A 125 -2.738 10.677 -9.418 1.00 0.00 H new ATOM 1880 N SER A 126 -5.323 13.814 -12.082 1.00 0.00 N ATOM 1881 CA SER A 126 -5.472 14.834 -13.114 1.00 0.00 C ATOM 1882 C SER A 126 -6.786 14.656 -13.868 1.00 0.00 C ATOM 1883 O SER A 126 -7.487 13.660 -13.690 1.00 0.00 O ATOM 1884 CB SER A 126 -4.297 14.777 -14.092 1.00 0.00 C ATOM 1885 OG SER A 126 -3.061 14.918 -13.413 1.00 0.00 O ATOM 0 H SER A 126 -5.312 12.857 -12.434 1.00 0.00 H new ATOM 0 HA SER A 126 -5.482 15.809 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 126 -4.314 13.829 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 126 -4.400 15.568 -14.835 1.00 0.00 H new ATOM 0 HG SER A 126 -2.326 14.876 -14.060 1.00 0.00 H new ATOM 1891 N GLY A 127 -7.114 15.629 -14.712 1.00 0.00 N ATOM 1892 CA GLY A 127 -8.343 15.562 -15.481 1.00 0.00 C ATOM 1893 C GLY A 127 -9.475 16.335 -14.835 1.00 0.00 C ATOM 1894 O GLY A 127 -10.293 15.764 -14.114 1.00 0.00 O ATOM 0 H GLY A 127 -6.550 16.463 -14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -8.164 15.955 -16.482 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -8.639 14.519 -15.597 1.00 0.00 H new TER 1898 GLY A 127