USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.014 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -48:sc= -0.467 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -57:sc= 1.1 USER MOD Single : A 36 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 37 GLN : amide:sc= -1.36! X(o=-1.4!,f=-1) USER MOD Single : A 41 ASN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 MET CE :methyl -163:sc= -0.0331 (180deg=-0.379) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=-0.00063) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0405 X(o=-0.041,f=-0.29) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.424 -12.288 8.840 1.00 0.00 N ATOM 2 CA GLY A 1 4.819 -11.361 9.885 1.00 0.00 C ATOM 3 C GLY A 1 5.761 -10.286 9.380 1.00 0.00 C ATOM 4 O GLY A 1 6.597 -10.541 8.513 1.00 0.00 O ATOM 0 H1 GLY A 1 4.402 -13.255 9.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.479 -12.033 8.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.108 -12.241 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.930 -10.892 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.301 -11.912 10.692 1.00 0.00 H new ATOM 8 N SER A 2 5.625 -9.080 9.923 1.00 0.00 N ATOM 9 CA SER A 2 6.468 -7.961 9.518 1.00 0.00 C ATOM 10 C SER A 2 7.837 -8.043 10.186 1.00 0.00 C ATOM 11 O SER A 2 7.962 -8.513 11.316 1.00 0.00 O ATOM 12 CB SER A 2 5.794 -6.634 9.872 1.00 0.00 C ATOM 13 OG SER A 2 6.308 -5.574 9.084 1.00 0.00 O ATOM 0 H SER A 2 4.940 -8.853 10.644 1.00 0.00 H new ATOM 0 HA SER A 2 6.606 -8.014 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.718 -6.717 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.949 -6.414 10.928 1.00 0.00 H new ATOM 0 HG SER A 2 5.860 -4.737 9.329 1.00 0.00 H new ATOM 19 N SER A 3 8.863 -7.581 9.477 1.00 0.00 N ATOM 20 CA SER A 3 10.224 -7.605 9.998 1.00 0.00 C ATOM 21 C SER A 3 11.092 -6.564 9.296 1.00 0.00 C ATOM 22 O SER A 3 10.982 -6.359 8.088 1.00 0.00 O ATOM 23 CB SER A 3 10.836 -8.996 9.823 1.00 0.00 C ATOM 24 OG SER A 3 12.130 -9.060 10.396 1.00 0.00 O ATOM 0 H SER A 3 8.777 -7.186 8.541 1.00 0.00 H new ATOM 0 HA SER A 3 10.184 -7.365 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.191 -9.741 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.892 -9.241 8.762 1.00 0.00 H new ATOM 0 HG SER A 3 12.498 -9.960 10.272 1.00 0.00 H new ATOM 30 N GLY A 4 11.957 -5.909 10.065 1.00 0.00 N ATOM 31 CA GLY A 4 12.832 -4.897 9.502 1.00 0.00 C ATOM 32 C GLY A 4 12.064 -3.769 8.843 1.00 0.00 C ATOM 33 O GLY A 4 12.171 -3.558 7.635 1.00 0.00 O ATOM 0 H GLY A 4 12.067 -6.061 11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.465 -4.490 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.493 -5.359 8.769 1.00 0.00 H new ATOM 37 N SER A 5 11.286 -3.041 9.638 1.00 0.00 N ATOM 38 CA SER A 5 10.492 -1.931 9.124 1.00 0.00 C ATOM 39 C SER A 5 10.745 -0.662 9.932 1.00 0.00 C ATOM 40 O SER A 5 10.717 -0.681 11.163 1.00 0.00 O ATOM 41 CB SER A 5 9.004 -2.282 9.157 1.00 0.00 C ATOM 42 OG SER A 5 8.704 -3.322 8.241 1.00 0.00 O ATOM 0 H SER A 5 11.189 -3.200 10.641 1.00 0.00 H new ATOM 0 HA SER A 5 10.792 -1.750 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.722 -2.588 10.164 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.413 -1.398 8.915 1.00 0.00 H new ATOM 0 HG SER A 5 7.747 -3.529 8.283 1.00 0.00 H new ATOM 48 N SER A 6 10.991 0.440 9.231 1.00 0.00 N ATOM 49 CA SER A 6 11.253 1.718 9.882 1.00 0.00 C ATOM 50 C SER A 6 10.185 2.743 9.514 1.00 0.00 C ATOM 51 O SER A 6 9.494 3.275 10.382 1.00 0.00 O ATOM 52 CB SER A 6 12.636 2.241 9.488 1.00 0.00 C ATOM 53 OG SER A 6 12.834 3.563 9.958 1.00 0.00 O ATOM 0 H SER A 6 11.014 0.473 8.212 1.00 0.00 H new ATOM 0 HA SER A 6 11.226 1.561 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.406 1.587 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.742 2.218 8.403 1.00 0.00 H new ATOM 0 HG SER A 6 13.725 3.874 9.695 1.00 0.00 H new ATOM 59 N GLY A 7 10.056 3.016 8.219 1.00 0.00 N ATOM 60 CA GLY A 7 9.071 3.977 7.758 1.00 0.00 C ATOM 61 C GLY A 7 7.652 3.459 7.885 1.00 0.00 C ATOM 62 O GLY A 7 7.386 2.483 8.586 1.00 0.00 O ATOM 0 H GLY A 7 10.616 2.589 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.171 4.898 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.271 4.227 6.716 1.00 0.00 H new ATOM 66 N PRO A 8 6.712 4.123 7.197 1.00 0.00 N ATOM 67 CA PRO A 8 5.297 3.743 7.221 1.00 0.00 C ATOM 68 C PRO A 8 5.037 2.426 6.496 1.00 0.00 C ATOM 69 O PRO A 8 5.598 2.174 5.429 1.00 0.00 O ATOM 70 CB PRO A 8 4.606 4.899 6.493 1.00 0.00 C ATOM 71 CG PRO A 8 5.658 5.471 5.607 1.00 0.00 C ATOM 72 CD PRO A 8 6.958 5.296 6.341 1.00 0.00 C ATOM 0 HA PRO A 8 4.936 3.584 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.750 4.548 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.233 5.643 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.680 4.957 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.465 6.524 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.787 5.125 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.208 6.178 6.930 1.00 0.00 H new ATOM 80 N CYS A 9 4.185 1.592 7.081 1.00 0.00 N ATOM 81 CA CYS A 9 3.853 0.301 6.490 1.00 0.00 C ATOM 82 C CYS A 9 2.371 -0.015 6.672 1.00 0.00 C ATOM 83 O CYS A 9 1.737 0.457 7.616 1.00 0.00 O ATOM 84 CB CYS A 9 4.702 -0.805 7.118 1.00 0.00 C ATOM 85 SG CYS A 9 4.475 -0.988 8.902 1.00 0.00 S ATOM 0 H CYS A 9 3.712 1.786 7.963 1.00 0.00 H new ATOM 0 HA CYS A 9 4.068 0.352 5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.462 -1.751 6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.753 -0.600 6.916 1.00 0.00 H new ATOM 0 HG CYS A 9 5.233 -1.949 9.340 1.00 0.00 H new ATOM 91 N CYS A 10 1.826 -0.813 5.761 1.00 0.00 N ATOM 92 CA CYS A 10 0.418 -1.189 5.819 1.00 0.00 C ATOM 93 C CYS A 10 0.256 -2.703 5.729 1.00 0.00 C ATOM 94 O CYS A 10 1.105 -3.396 5.168 1.00 0.00 O ATOM 95 CB CYS A 10 -0.359 -0.513 4.688 1.00 0.00 C ATOM 96 SG CYS A 10 0.119 -1.062 3.033 1.00 0.00 S ATOM 0 H CYS A 10 2.337 -1.212 4.974 1.00 0.00 H new ATOM 0 HA CYS A 10 0.017 -0.855 6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.423 -0.703 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.216 0.565 4.757 1.00 0.00 H new ATOM 0 HG CYS A 10 1.415 -1.046 2.928 1.00 0.00 H new ATOM 102 N ARG A 11 -0.839 -3.210 6.287 1.00 0.00 N ATOM 103 CA ARG A 11 -1.111 -4.642 6.273 1.00 0.00 C ATOM 104 C ARG A 11 -2.228 -4.974 5.288 1.00 0.00 C ATOM 105 O ARG A 11 -3.194 -4.222 5.153 1.00 0.00 O ATOM 106 CB ARG A 11 -1.491 -5.125 7.674 1.00 0.00 C ATOM 107 CG ARG A 11 -1.576 -6.638 7.795 1.00 0.00 C ATOM 108 CD ARG A 11 -1.321 -7.097 9.222 1.00 0.00 C ATOM 109 NE ARG A 11 -2.539 -7.086 10.026 1.00 0.00 N ATOM 110 CZ ARG A 11 -3.581 -7.878 9.794 1.00 0.00 C ATOM 111 NH1 ARG A 11 -3.551 -8.739 8.787 1.00 0.00 N ATOM 112 NH2 ARG A 11 -4.654 -7.809 10.571 1.00 0.00 N ATOM 0 H ARG A 11 -1.552 -2.650 6.754 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.204 -5.155 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.757 -4.753 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.453 -4.692 7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.561 -6.975 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.848 -7.099 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.904 -8.104 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.576 -6.449 9.684 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.594 -6.435 10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.727 -8.795 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.352 -9.346 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.680 -7.148 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.453 -8.417 10.392 1.00 0.00 H new ATOM 126 N ALA A 12 -2.090 -6.103 4.602 1.00 0.00 N ATOM 127 CA ALA A 12 -3.088 -6.535 3.631 1.00 0.00 C ATOM 128 C ALA A 12 -4.164 -7.389 4.293 1.00 0.00 C ATOM 129 O ALA A 12 -3.868 -8.421 4.897 1.00 0.00 O ATOM 130 CB ALA A 12 -2.424 -7.303 2.498 1.00 0.00 C ATOM 0 H ALA A 12 -1.296 -6.736 4.701 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.568 -5.647 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.181 -7.620 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.698 -6.661 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.917 -8.180 2.901 1.00 0.00 H new ATOM 136 N LEU A 13 -5.413 -6.953 4.176 1.00 0.00 N ATOM 137 CA LEU A 13 -6.535 -7.678 4.764 1.00 0.00 C ATOM 138 C LEU A 13 -7.030 -8.771 3.822 1.00 0.00 C ATOM 139 O LEU A 13 -7.497 -9.821 4.265 1.00 0.00 O ATOM 140 CB LEU A 13 -7.676 -6.713 5.090 1.00 0.00 C ATOM 141 CG LEU A 13 -7.341 -5.578 6.057 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.443 -4.530 6.053 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.124 -6.121 7.462 1.00 0.00 C ATOM 0 H LEU A 13 -5.675 -6.101 3.680 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.191 -8.147 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.032 -6.275 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.502 -7.288 5.508 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.417 -5.105 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.187 -3.730 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.550 -4.119 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.383 -4.989 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.886 -5.299 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.031 -6.620 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.299 -6.833 7.453 1.00 0.00 H new ATOM 155 N TYR A 14 -6.924 -8.518 2.523 1.00 0.00 N ATOM 156 CA TYR A 14 -7.361 -9.480 1.519 1.00 0.00 C ATOM 157 C TYR A 14 -6.332 -9.604 0.399 1.00 0.00 C ATOM 158 O TYR A 14 -5.331 -8.889 0.378 1.00 0.00 O ATOM 159 CB TYR A 14 -8.714 -9.065 0.939 1.00 0.00 C ATOM 160 CG TYR A 14 -9.813 -8.973 1.973 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.949 -7.845 2.773 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.715 -10.015 2.152 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.952 -7.756 3.720 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.721 -9.935 3.095 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.835 -8.804 3.877 1.00 0.00 C ATOM 166 OH TYR A 14 -12.835 -8.721 4.818 1.00 0.00 O ATOM 0 H TYR A 14 -6.539 -7.654 2.140 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.463 -10.451 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.608 -8.098 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.007 -9.783 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.259 -7.023 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.628 -10.903 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.044 -6.872 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.415 -10.753 3.220 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.370 -9.542 4.800 1.00 0.00 H new ATOM 176 N ASP A 15 -6.588 -10.518 -0.531 1.00 0.00 N ATOM 177 CA ASP A 15 -5.686 -10.736 -1.656 1.00 0.00 C ATOM 178 C ASP A 15 -6.135 -9.938 -2.876 1.00 0.00 C ATOM 179 O ASP A 15 -7.324 -9.668 -3.051 1.00 0.00 O ATOM 180 CB ASP A 15 -5.619 -12.225 -2.002 1.00 0.00 C ATOM 181 CG ASP A 15 -6.799 -12.679 -2.838 1.00 0.00 C ATOM 182 OD1 ASP A 15 -7.946 -12.336 -2.482 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.576 -13.376 -3.850 1.00 0.00 O ATOM 0 H ASP A 15 -7.412 -11.119 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.693 -10.393 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.695 -12.428 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.584 -12.808 -1.081 1.00 0.00 H new ATOM 188 N PHE A 16 -5.177 -9.562 -3.716 1.00 0.00 N ATOM 189 CA PHE A 16 -5.474 -8.792 -4.919 1.00 0.00 C ATOM 190 C PHE A 16 -4.831 -9.431 -6.146 1.00 0.00 C ATOM 191 O PHE A 16 -3.624 -9.669 -6.173 1.00 0.00 O ATOM 192 CB PHE A 16 -4.982 -7.352 -4.762 1.00 0.00 C ATOM 193 CG PHE A 16 -4.824 -6.627 -6.068 1.00 0.00 C ATOM 194 CD1 PHE A 16 -5.809 -6.700 -7.040 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.691 -5.872 -6.325 1.00 0.00 C ATOM 196 CE1 PHE A 16 -5.666 -6.035 -8.243 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.542 -5.204 -7.526 1.00 0.00 C ATOM 198 CZ PHE A 16 -4.532 -5.285 -8.486 1.00 0.00 C ATOM 0 H PHE A 16 -4.188 -9.778 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.555 -8.786 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.683 -6.803 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.025 -7.358 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.699 -7.283 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.914 -5.805 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.441 -6.102 -8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.653 -4.620 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.419 -4.763 -9.425 1.00 0.00 H new ATOM 208 N GLU A 17 -5.646 -9.705 -7.159 1.00 0.00 N ATOM 209 CA GLU A 17 -5.157 -10.318 -8.389 1.00 0.00 C ATOM 210 C GLU A 17 -5.246 -9.340 -9.557 1.00 0.00 C ATOM 211 O GLU A 17 -6.280 -9.211 -10.213 1.00 0.00 O ATOM 212 CB GLU A 17 -5.955 -11.584 -8.707 1.00 0.00 C ATOM 213 CG GLU A 17 -5.882 -12.639 -7.616 1.00 0.00 C ATOM 214 CD GLU A 17 -6.798 -13.818 -7.883 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.696 -14.412 -8.977 1.00 0.00 O ATOM 216 OE2 GLU A 17 -7.616 -14.147 -6.999 1.00 0.00 O ATOM 0 H GLU A 17 -6.648 -9.512 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.111 -10.585 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.998 -11.314 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.586 -12.011 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.855 -12.994 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.147 -12.187 -6.660 1.00 0.00 H new ATOM 223 N PRO A 18 -4.137 -8.634 -9.823 1.00 0.00 N ATOM 224 CA PRO A 18 -4.065 -7.655 -10.912 1.00 0.00 C ATOM 225 C PRO A 18 -4.093 -8.315 -12.287 1.00 0.00 C ATOM 226 O PRO A 18 -3.658 -9.454 -12.447 1.00 0.00 O ATOM 227 CB PRO A 18 -2.719 -6.964 -10.678 1.00 0.00 C ATOM 228 CG PRO A 18 -1.902 -7.965 -9.937 1.00 0.00 C ATOM 229 CD PRO A 18 -2.869 -8.737 -9.082 1.00 0.00 C ATOM 0 HA PRO A 18 -4.916 -6.974 -10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.247 -6.688 -11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.840 -6.047 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.376 -8.626 -10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.145 -7.475 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.558 -9.775 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.952 -8.310 -8.083 1.00 0.00 H new ATOM 237 N GLU A 19 -4.607 -7.590 -13.275 1.00 0.00 N ATOM 238 CA GLU A 19 -4.692 -8.106 -14.636 1.00 0.00 C ATOM 239 C GLU A 19 -3.881 -7.241 -15.598 1.00 0.00 C ATOM 240 O GLU A 19 -3.281 -7.745 -16.546 1.00 0.00 O ATOM 241 CB GLU A 19 -6.151 -8.167 -15.093 1.00 0.00 C ATOM 242 CG GLU A 19 -6.355 -8.958 -16.374 1.00 0.00 C ATOM 243 CD GLU A 19 -7.815 -9.053 -16.774 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.585 -8.131 -16.433 1.00 0.00 O ATOM 245 OE2 GLU A 19 -8.186 -10.050 -17.428 1.00 0.00 O ATOM 0 H GLU A 19 -4.971 -6.644 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.276 -9.113 -14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.753 -8.613 -14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.520 -7.152 -15.240 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.791 -8.489 -17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.951 -9.962 -16.245 1.00 0.00 H new ATOM 252 N ASN A 20 -3.871 -5.937 -15.345 1.00 0.00 N ATOM 253 CA ASN A 20 -3.136 -5.001 -16.188 1.00 0.00 C ATOM 254 C ASN A 20 -1.790 -4.647 -15.563 1.00 0.00 C ATOM 255 O ASN A 20 -1.664 -4.568 -14.341 1.00 0.00 O ATOM 256 CB ASN A 20 -3.957 -3.729 -16.411 1.00 0.00 C ATOM 257 CG ASN A 20 -5.350 -4.025 -16.934 1.00 0.00 C ATOM 258 OD1 ASN A 20 -6.349 -3.689 -16.297 1.00 0.00 O ATOM 259 ND2 ASN A 20 -5.422 -4.656 -18.099 1.00 0.00 N ATOM 0 H ASN A 20 -4.363 -5.504 -14.563 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.955 -5.482 -17.149 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.033 -3.180 -15.473 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.436 -3.083 -17.117 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.332 -4.882 -18.501 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.568 -4.915 -18.592 1.00 0.00 H new ATOM 266 N GLU A 21 -0.788 -4.434 -16.410 1.00 0.00 N ATOM 267 CA GLU A 21 0.549 -4.089 -15.940 1.00 0.00 C ATOM 268 C GLU A 21 0.499 -2.902 -14.982 1.00 0.00 C ATOM 269 O GLU A 21 -0.473 -2.148 -14.961 1.00 0.00 O ATOM 270 CB GLU A 21 1.462 -3.764 -17.124 1.00 0.00 C ATOM 271 CG GLU A 21 1.651 -4.927 -18.084 1.00 0.00 C ATOM 272 CD GLU A 21 0.483 -5.094 -19.036 1.00 0.00 C ATOM 273 OE1 GLU A 21 -0.148 -4.074 -19.387 1.00 0.00 O ATOM 274 OE2 GLU A 21 0.199 -6.244 -19.431 1.00 0.00 O ATOM 0 H GLU A 21 -0.876 -4.494 -17.424 1.00 0.00 H new ATOM 0 HA GLU A 21 0.952 -4.949 -15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.047 -2.917 -17.670 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.436 -3.454 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.564 -4.774 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.784 -5.846 -17.513 1.00 0.00 H new ATOM 281 N GLY A 22 1.555 -2.744 -14.190 1.00 0.00 N ATOM 282 CA GLY A 22 1.612 -1.648 -13.240 1.00 0.00 C ATOM 283 C GLY A 22 0.996 -2.008 -11.902 1.00 0.00 C ATOM 284 O GLY A 22 1.666 -1.961 -10.871 1.00 0.00 O ATOM 0 H GLY A 22 2.372 -3.355 -14.189 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.651 -1.354 -13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.093 -0.784 -13.655 1.00 0.00 H new ATOM 288 N GLU A 23 -0.284 -2.366 -11.919 1.00 0.00 N ATOM 289 CA GLU A 23 -0.990 -2.733 -10.696 1.00 0.00 C ATOM 290 C GLU A 23 -0.077 -3.512 -9.754 1.00 0.00 C ATOM 291 O GLU A 23 0.679 -4.385 -10.183 1.00 0.00 O ATOM 292 CB GLU A 23 -2.230 -3.565 -11.027 1.00 0.00 C ATOM 293 CG GLU A 23 -3.395 -2.741 -11.549 1.00 0.00 C ATOM 294 CD GLU A 23 -4.523 -3.601 -12.086 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.364 -4.047 -11.277 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.565 -3.826 -13.313 1.00 0.00 O ATOM 0 H GLU A 23 -0.853 -2.410 -12.764 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.300 -1.815 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.965 -4.316 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.547 -4.101 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.776 -2.108 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.041 -2.078 -12.338 1.00 0.00 H new ATOM 303 N LEU A 24 -0.152 -3.190 -8.467 1.00 0.00 N ATOM 304 CA LEU A 24 0.667 -3.859 -7.462 1.00 0.00 C ATOM 305 C LEU A 24 -0.132 -4.938 -6.739 1.00 0.00 C ATOM 306 O LEU A 24 -1.035 -4.639 -5.959 1.00 0.00 O ATOM 307 CB LEU A 24 1.203 -2.842 -6.453 1.00 0.00 C ATOM 308 CG LEU A 24 2.085 -3.404 -5.337 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.382 -3.955 -5.909 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.372 -2.333 -4.294 1.00 0.00 C ATOM 0 H LEU A 24 -0.771 -2.470 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 24 1.506 -4.334 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.774 -2.088 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.355 -2.332 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 24 1.550 -4.221 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.997 -4.351 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.157 -4.752 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.922 -3.158 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.001 -2.750 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.887 -1.496 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.434 -1.985 -3.862 1.00 0.00 H new ATOM 322 N GLY A 25 0.209 -6.196 -7.001 1.00 0.00 N ATOM 323 CA GLY A 25 -0.484 -7.301 -6.365 1.00 0.00 C ATOM 324 C GLY A 25 0.042 -7.593 -4.974 1.00 0.00 C ATOM 325 O GLY A 25 1.250 -7.725 -4.774 1.00 0.00 O ATOM 0 H GLY A 25 0.953 -6.470 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.548 -7.073 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.382 -8.193 -6.983 1.00 0.00 H new ATOM 329 N PHE A 26 -0.865 -7.692 -4.008 1.00 0.00 N ATOM 330 CA PHE A 26 -0.486 -7.967 -2.628 1.00 0.00 C ATOM 331 C PHE A 26 -1.116 -9.268 -2.139 1.00 0.00 C ATOM 332 O PHE A 26 -2.013 -9.816 -2.780 1.00 0.00 O ATOM 333 CB PHE A 26 -0.909 -6.810 -1.720 1.00 0.00 C ATOM 334 CG PHE A 26 -2.340 -6.394 -1.906 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.370 -7.299 -1.703 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.656 -5.099 -2.284 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.688 -6.920 -1.873 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.972 -4.714 -2.455 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.989 -5.626 -2.251 1.00 0.00 C ATOM 0 H PHE A 26 -1.869 -7.586 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 26 0.598 -8.072 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.755 -7.100 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.262 -5.954 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.140 -8.312 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.865 -4.382 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.481 -7.634 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.205 -3.701 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.018 -5.328 -2.387 1.00 0.00 H new ATOM 349 N LYS A 27 -0.639 -9.757 -0.999 1.00 0.00 N ATOM 350 CA LYS A 27 -1.154 -10.993 -0.422 1.00 0.00 C ATOM 351 C LYS A 27 -1.693 -10.754 0.984 1.00 0.00 C ATOM 352 O LYS A 27 -1.108 -10.001 1.762 1.00 0.00 O ATOM 353 CB LYS A 27 -0.057 -12.059 -0.385 1.00 0.00 C ATOM 354 CG LYS A 27 0.288 -12.625 -1.752 1.00 0.00 C ATOM 355 CD LYS A 27 0.813 -14.047 -1.650 1.00 0.00 C ATOM 356 CE LYS A 27 1.390 -14.525 -2.974 1.00 0.00 C ATOM 357 NZ LYS A 27 2.154 -15.794 -2.821 1.00 0.00 N ATOM 0 H LYS A 27 0.104 -9.316 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.972 -11.344 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.841 -11.629 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.375 -12.873 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.597 -12.608 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.037 -11.993 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.581 -14.098 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.007 -14.712 -1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.582 -14.672 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.043 -13.755 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.531 -16.086 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.941 -15.648 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.525 -16.536 -2.454 1.00 0.00 H new ATOM 371 N GLU A 28 -2.810 -11.400 1.303 1.00 0.00 N ATOM 372 CA GLU A 28 -3.426 -11.257 2.617 1.00 0.00 C ATOM 373 C GLU A 28 -2.396 -11.457 3.726 1.00 0.00 C ATOM 374 O GLU A 28 -1.891 -12.561 3.926 1.00 0.00 O ATOM 375 CB GLU A 28 -4.570 -12.259 2.781 1.00 0.00 C ATOM 376 CG GLU A 28 -5.090 -12.362 4.205 1.00 0.00 C ATOM 377 CD GLU A 28 -5.881 -13.633 4.447 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.330 -14.728 4.207 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.049 -13.534 4.876 1.00 0.00 O ATOM 0 H GLU A 28 -3.307 -12.027 0.670 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.825 -10.246 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.390 -11.972 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.230 -13.242 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.250 -12.324 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.721 -11.499 4.421 1.00 0.00 H new ATOM 386 N GLY A 29 -2.090 -10.381 4.443 1.00 0.00 N ATOM 387 CA GLY A 29 -1.122 -10.458 5.521 1.00 0.00 C ATOM 388 C GLY A 29 0.188 -9.778 5.176 1.00 0.00 C ATOM 389 O GLY A 29 0.828 -9.175 6.037 1.00 0.00 O ATOM 0 H GLY A 29 -2.495 -9.457 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.542 -9.998 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.932 -11.504 5.760 1.00 0.00 H new ATOM 393 N ASP A 30 0.587 -9.875 3.913 1.00 0.00 N ATOM 394 CA ASP A 30 1.830 -9.264 3.455 1.00 0.00 C ATOM 395 C ASP A 30 1.816 -7.758 3.697 1.00 0.00 C ATOM 396 O ASP A 30 0.787 -7.102 3.531 1.00 0.00 O ATOM 397 CB ASP A 30 2.047 -9.552 1.968 1.00 0.00 C ATOM 398 CG ASP A 30 2.692 -10.903 1.729 1.00 0.00 C ATOM 399 OD1 ASP A 30 2.217 -11.900 2.312 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.672 -10.963 0.957 1.00 0.00 O ATOM 0 H ASP A 30 0.068 -10.371 3.188 1.00 0.00 H new ATOM 0 HA ASP A 30 2.651 -9.698 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.089 -9.513 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.674 -8.772 1.537 1.00 0.00 H new ATOM 405 N ILE A 31 2.964 -7.217 4.091 1.00 0.00 N ATOM 406 CA ILE A 31 3.084 -5.789 4.356 1.00 0.00 C ATOM 407 C ILE A 31 3.620 -5.046 3.137 1.00 0.00 C ATOM 408 O ILE A 31 4.693 -5.368 2.624 1.00 0.00 O ATOM 409 CB ILE A 31 4.008 -5.515 5.557 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.519 -6.279 6.789 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.074 -4.022 5.845 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.137 -5.869 7.246 1.00 0.00 C ATOM 0 H ILE A 31 3.824 -7.746 4.234 1.00 0.00 H new ATOM 0 HA ILE A 31 2.083 -5.426 4.588 1.00 0.00 H new ATOM 0 HB ILE A 31 5.011 -5.863 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.518 -7.346 6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.224 -6.124 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.731 -3.844 6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.463 -3.500 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.075 -3.651 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.856 -6.452 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.137 -4.809 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.420 -6.050 6.445 1.00 0.00 H new ATOM 424 N ILE A 32 2.868 -4.051 2.679 1.00 0.00 N ATOM 425 CA ILE A 32 3.269 -3.261 1.522 1.00 0.00 C ATOM 426 C ILE A 32 3.909 -1.945 1.950 1.00 0.00 C ATOM 427 O ILE A 32 3.261 -1.099 2.568 1.00 0.00 O ATOM 428 CB ILE A 32 2.071 -2.962 0.601 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.434 -4.266 0.116 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.510 -2.109 -0.579 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.434 -4.848 1.090 1.00 0.00 C ATOM 0 H ILE A 32 1.978 -3.773 3.092 1.00 0.00 H new ATOM 0 HA ILE A 32 3.999 -3.855 0.972 1.00 0.00 H new ATOM 0 HB ILE A 32 1.325 -2.405 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.938 -4.086 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.220 -4.999 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.652 -1.906 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.921 -1.168 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.272 -2.641 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.023 -5.771 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.930 -5.060 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.372 -4.133 1.255 1.00 0.00 H new ATOM 443 N THR A 33 5.184 -1.776 1.615 1.00 0.00 N ATOM 444 CA THR A 33 5.912 -0.562 1.964 1.00 0.00 C ATOM 445 C THR A 33 5.195 0.677 1.442 1.00 0.00 C ATOM 446 O THR A 33 4.468 0.615 0.450 1.00 0.00 O ATOM 447 CB THR A 33 7.346 -0.587 1.404 1.00 0.00 C ATOM 448 OG1 THR A 33 7.985 -1.821 1.746 1.00 0.00 O ATOM 449 CG2 THR A 33 8.159 0.579 1.947 1.00 0.00 C ATOM 0 H THR A 33 5.734 -2.465 1.102 1.00 0.00 H new ATOM 0 HA THR A 33 5.956 -0.521 3.052 1.00 0.00 H new ATOM 0 HB THR A 33 7.290 -0.497 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.896 -1.829 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.168 0.541 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.686 1.518 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.206 0.515 3.034 1.00 0.00 H new ATOM 457 N LEU A 34 5.405 1.804 2.115 1.00 0.00 N ATOM 458 CA LEU A 34 4.779 3.060 1.717 1.00 0.00 C ATOM 459 C LEU A 34 5.833 4.120 1.409 1.00 0.00 C ATOM 460 O LEU A 34 6.735 4.365 2.210 1.00 0.00 O ATOM 461 CB LEU A 34 3.846 3.559 2.822 1.00 0.00 C ATOM 462 CG LEU A 34 2.530 2.797 2.982 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.836 3.197 4.275 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.620 3.046 1.788 1.00 0.00 C ATOM 0 H LEU A 34 6.004 1.873 2.938 1.00 0.00 H new ATOM 0 HA LEU A 34 4.198 2.878 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.383 3.519 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.615 4.607 2.630 1.00 0.00 H new ATOM 0 HG LEU A 34 2.753 1.731 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.901 2.645 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.483 2.967 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.626 4.266 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.688 2.496 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.404 4.112 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.115 2.709 0.877 1.00 0.00 H new ATOM 476 N THR A 35 5.710 4.747 0.243 1.00 0.00 N ATOM 477 CA THR A 35 6.650 5.781 -0.170 1.00 0.00 C ATOM 478 C THR A 35 5.926 7.077 -0.513 1.00 0.00 C ATOM 479 O THR A 35 6.227 8.133 0.043 1.00 0.00 O ATOM 480 CB THR A 35 7.479 5.332 -1.389 1.00 0.00 C ATOM 481 OG1 THR A 35 6.608 4.954 -2.461 1.00 0.00 O ATOM 482 CG2 THR A 35 8.383 4.163 -1.027 1.00 0.00 C ATOM 0 H THR A 35 4.969 4.557 -0.431 1.00 0.00 H new ATOM 0 HA THR A 35 7.320 5.954 0.673 1.00 0.00 H new ATOM 0 HB THR A 35 8.102 6.168 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.005 4.243 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.958 3.863 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.064 4.463 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.775 3.324 -0.688 1.00 0.00 H new ATOM 490 N ASN A 36 4.969 6.990 -1.432 1.00 0.00 N ATOM 491 CA ASN A 36 4.201 8.158 -1.848 1.00 0.00 C ATOM 492 C ASN A 36 2.797 7.756 -2.289 1.00 0.00 C ATOM 493 O ASN A 36 2.477 6.571 -2.370 1.00 0.00 O ATOM 494 CB ASN A 36 4.917 8.885 -2.988 1.00 0.00 C ATOM 495 CG ASN A 36 6.051 9.762 -2.493 1.00 0.00 C ATOM 496 OD1 ASN A 36 7.225 9.443 -2.681 1.00 0.00 O ATOM 497 ND2 ASN A 36 5.704 10.874 -1.855 1.00 0.00 N ATOM 0 H ASN A 36 4.707 6.124 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 36 4.116 8.830 -0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.309 8.152 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.198 9.498 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.423 11.503 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.718 11.099 -1.722 1.00 0.00 H new ATOM 504 N GLN A 37 1.964 8.753 -2.573 1.00 0.00 N ATOM 505 CA GLN A 37 0.594 8.503 -3.006 1.00 0.00 C ATOM 506 C GLN A 37 0.293 9.234 -4.310 1.00 0.00 C ATOM 507 O GLN A 37 0.678 10.390 -4.487 1.00 0.00 O ATOM 508 CB GLN A 37 -0.393 8.940 -1.922 1.00 0.00 C ATOM 509 CG GLN A 37 -1.837 8.983 -2.396 1.00 0.00 C ATOM 510 CD GLN A 37 -2.824 9.098 -1.251 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.584 9.815 -0.279 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.942 8.390 -1.359 1.00 0.00 N ATOM 0 H GLN A 37 2.214 9.740 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 37 0.483 7.432 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.317 8.257 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.108 9.928 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.969 9.829 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.054 8.082 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.100 7.809 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.643 8.427 -0.619 1.00 0.00 H new ATOM 521 N ILE A 38 -0.397 8.554 -5.218 1.00 0.00 N ATOM 522 CA ILE A 38 -0.750 9.140 -6.506 1.00 0.00 C ATOM 523 C ILE A 38 -2.238 9.464 -6.572 1.00 0.00 C ATOM 524 O ILE A 38 -2.630 10.543 -7.017 1.00 0.00 O ATOM 525 CB ILE A 38 -0.388 8.199 -7.670 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.128 8.006 -7.747 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.924 8.752 -8.983 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.632 6.848 -6.914 1.00 0.00 C ATOM 0 H ILE A 38 -0.723 7.597 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.176 10.061 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.850 7.228 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.414 7.847 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.620 8.921 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.661 8.076 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.009 8.843 -8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.487 9.733 -9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.714 6.770 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.377 7.015 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.168 5.924 -7.258 1.00 0.00 H new ATOM 540 N ASP A 39 -3.063 8.524 -6.125 1.00 0.00 N ATOM 541 CA ASP A 39 -4.510 8.710 -6.131 1.00 0.00 C ATOM 542 C ASP A 39 -5.028 8.984 -4.723 1.00 0.00 C ATOM 543 O ASP A 39 -4.251 9.082 -3.774 1.00 0.00 O ATOM 544 CB ASP A 39 -5.202 7.476 -6.711 1.00 0.00 C ATOM 545 CG ASP A 39 -4.458 6.900 -7.900 1.00 0.00 C ATOM 546 OD1 ASP A 39 -3.307 6.451 -7.717 1.00 0.00 O ATOM 547 OD2 ASP A 39 -5.025 6.898 -9.012 1.00 0.00 O ATOM 0 H ASP A 39 -2.755 7.625 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.738 9.573 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.289 6.714 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.215 7.740 -7.013 1.00 0.00 H new ATOM 552 N GLU A 40 -6.346 9.108 -4.596 1.00 0.00 N ATOM 553 CA GLU A 40 -6.966 9.373 -3.303 1.00 0.00 C ATOM 554 C GLU A 40 -7.260 8.071 -2.564 1.00 0.00 C ATOM 555 O GLU A 40 -7.493 8.069 -1.356 1.00 0.00 O ATOM 556 CB GLU A 40 -8.259 10.171 -3.487 1.00 0.00 C ATOM 557 CG GLU A 40 -8.043 11.549 -4.090 1.00 0.00 C ATOM 558 CD GLU A 40 -7.812 11.501 -5.588 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.656 10.916 -6.299 1.00 0.00 O ATOM 560 OE2 GLU A 40 -6.789 12.047 -6.048 1.00 0.00 O ATOM 0 H GLU A 40 -7.004 9.029 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.267 9.959 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.937 9.606 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.750 10.280 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.911 12.173 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.187 12.022 -3.609 1.00 0.00 H new ATOM 567 N ASN A 41 -7.248 6.964 -3.299 1.00 0.00 N ATOM 568 CA ASN A 41 -7.514 5.654 -2.715 1.00 0.00 C ATOM 569 C ASN A 41 -6.423 4.658 -3.093 1.00 0.00 C ATOM 570 O ASN A 41 -6.569 3.453 -2.884 1.00 0.00 O ATOM 571 CB ASN A 41 -8.878 5.135 -3.176 1.00 0.00 C ATOM 572 CG ASN A 41 -10.018 5.682 -2.339 1.00 0.00 C ATOM 573 OD1 ASN A 41 -9.814 6.139 -1.214 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.227 5.636 -2.886 1.00 0.00 N ATOM 0 H ASN A 41 -7.057 6.948 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.522 5.762 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.034 5.408 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.885 4.046 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.034 5.988 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.349 5.248 -3.822 1.00 0.00 H new ATOM 581 N TRP A 42 -5.331 5.168 -3.649 1.00 0.00 N ATOM 582 CA TRP A 42 -4.214 4.323 -4.056 1.00 0.00 C ATOM 583 C TRP A 42 -2.908 4.813 -3.440 1.00 0.00 C ATOM 584 O TRP A 42 -2.745 6.003 -3.173 1.00 0.00 O ATOM 585 CB TRP A 42 -4.096 4.297 -5.580 1.00 0.00 C ATOM 586 CG TRP A 42 -5.348 3.842 -6.266 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.560 4.472 -6.263 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.512 2.656 -7.052 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.467 3.750 -7.001 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.849 2.633 -7.496 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.660 1.614 -7.426 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.350 1.607 -8.292 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.159 0.596 -8.216 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.494 0.599 -8.643 1.00 0.00 C ATOM 0 H TRP A 42 -5.195 6.163 -3.829 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.406 3.312 -3.697 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.839 5.295 -5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.276 3.637 -5.862 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.774 5.401 -5.755 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.443 4.005 -7.155 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.629 1.604 -7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.379 1.607 -8.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.510 -0.215 -8.509 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.854 -0.210 -9.261 1.00 0.00 H new ATOM 605 N TYR A 43 -1.980 3.888 -3.219 1.00 0.00 N ATOM 606 CA TYR A 43 -0.688 4.227 -2.633 1.00 0.00 C ATOM 607 C TYR A 43 0.455 3.760 -3.528 1.00 0.00 C ATOM 608 O TYR A 43 0.236 3.075 -4.526 1.00 0.00 O ATOM 609 CB TYR A 43 -0.554 3.598 -1.245 1.00 0.00 C ATOM 610 CG TYR A 43 -1.284 4.359 -0.161 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.186 5.742 -0.071 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.071 3.695 0.771 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.851 6.442 0.918 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.740 4.387 1.762 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.626 5.760 1.832 1.00 0.00 C ATOM 616 OH TYR A 43 -3.291 6.453 2.818 1.00 0.00 O ATOM 0 H TYR A 43 -2.098 2.899 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.632 5.312 -2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.935 2.577 -1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.503 3.535 -0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.580 6.279 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.161 2.620 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.764 7.517 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.349 3.856 2.478 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.970 5.874 3.223 1.00 0.00 H new ATOM 626 N GLU A 44 1.676 4.138 -3.162 1.00 0.00 N ATOM 627 CA GLU A 44 2.855 3.758 -3.932 1.00 0.00 C ATOM 628 C GLU A 44 3.941 3.193 -3.021 1.00 0.00 C ATOM 629 O GLU A 44 4.360 3.839 -2.061 1.00 0.00 O ATOM 630 CB GLU A 44 3.397 4.963 -4.704 1.00 0.00 C ATOM 631 CG GLU A 44 4.253 4.585 -5.901 1.00 0.00 C ATOM 632 CD GLU A 44 5.052 5.755 -6.440 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.699 6.454 -5.632 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.029 5.973 -7.670 1.00 0.00 O ATOM 0 H GLU A 44 1.874 4.706 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 44 2.561 2.984 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.560 5.572 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.987 5.582 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.936 3.784 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.613 4.192 -6.691 1.00 0.00 H new ATOM 641 N GLY A 45 4.394 1.982 -3.330 1.00 0.00 N ATOM 642 CA GLY A 45 5.426 1.349 -2.530 1.00 0.00 C ATOM 643 C GLY A 45 6.209 0.311 -3.309 1.00 0.00 C ATOM 644 O GLY A 45 5.996 0.135 -4.508 1.00 0.00 O ATOM 0 H GLY A 45 4.065 1.428 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.110 2.111 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.969 0.877 -1.660 1.00 0.00 H new ATOM 648 N MET A 46 7.117 -0.378 -2.626 1.00 0.00 N ATOM 649 CA MET A 46 7.935 -1.404 -3.263 1.00 0.00 C ATOM 650 C MET A 46 7.620 -2.782 -2.691 1.00 0.00 C ATOM 651 O MET A 46 7.699 -2.996 -1.481 1.00 0.00 O ATOM 652 CB MET A 46 9.421 -1.090 -3.079 1.00 0.00 C ATOM 653 CG MET A 46 10.004 -0.235 -4.192 1.00 0.00 C ATOM 654 SD MET A 46 11.741 0.166 -3.923 1.00 0.00 S ATOM 655 CE MET A 46 11.620 1.274 -2.521 1.00 0.00 C ATOM 0 H MET A 46 7.305 -0.245 -1.632 1.00 0.00 H new ATOM 0 HA MET A 46 7.702 -1.410 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.560 -0.577 -2.127 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.977 -2.026 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.899 -0.760 -5.141 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.431 0.688 -4.274 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.547 1.838 -2.422 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.790 1.964 -2.673 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.449 0.695 -1.613 1.00 0.00 H new ATOM 665 N LEU A 47 7.262 -3.714 -3.568 1.00 0.00 N ATOM 666 CA LEU A 47 6.935 -5.073 -3.150 1.00 0.00 C ATOM 667 C LEU A 47 7.579 -6.098 -4.077 1.00 0.00 C ATOM 668 O LEU A 47 7.353 -6.085 -5.288 1.00 0.00 O ATOM 669 CB LEU A 47 5.418 -5.269 -3.129 1.00 0.00 C ATOM 670 CG LEU A 47 4.900 -6.400 -2.240 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.174 -6.096 -0.775 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.412 -6.622 -2.471 1.00 0.00 C ATOM 0 H LEU A 47 7.191 -3.553 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 47 7.329 -5.223 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.956 -4.337 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.081 -5.452 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 47 5.429 -7.315 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.798 -6.912 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.248 -5.988 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.673 -5.169 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.061 -7.431 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.867 -5.708 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.241 -6.886 -3.515 1.00 0.00 H new ATOM 684 N HIS A 48 8.381 -6.988 -3.501 1.00 0.00 N ATOM 685 CA HIS A 48 9.057 -8.023 -4.276 1.00 0.00 C ATOM 686 C HIS A 48 9.827 -7.412 -5.443 1.00 0.00 C ATOM 687 O HIS A 48 9.826 -7.950 -6.549 1.00 0.00 O ATOM 688 CB HIS A 48 8.043 -9.043 -4.796 1.00 0.00 C ATOM 689 CG HIS A 48 7.773 -10.161 -3.837 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.436 -11.369 -3.884 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.907 -10.249 -2.801 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.988 -12.152 -2.919 1.00 0.00 C ATOM 693 NE2 HIS A 48 7.059 -11.496 -2.247 1.00 0.00 N ATOM 0 H HIS A 48 8.579 -7.013 -2.501 1.00 0.00 H new ATOM 0 HA HIS A 48 9.767 -8.529 -3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.106 -8.531 -5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.408 -9.460 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.223 -9.481 -2.471 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.324 -13.158 -2.714 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.539 -11.857 -1.447 1.00 0.00 H new ATOM 702 N GLY A 49 10.484 -6.285 -5.187 1.00 0.00 N ATOM 703 CA GLY A 49 11.248 -5.620 -6.226 1.00 0.00 C ATOM 704 C GLY A 49 10.366 -5.036 -7.311 1.00 0.00 C ATOM 705 O GLY A 49 10.809 -4.838 -8.443 1.00 0.00 O ATOM 0 H GLY A 49 10.501 -5.821 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.845 -4.825 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.944 -6.330 -6.671 1.00 0.00 H new ATOM 709 N HIS A 50 9.111 -4.762 -6.968 1.00 0.00 N ATOM 710 CA HIS A 50 8.163 -4.198 -7.922 1.00 0.00 C ATOM 711 C HIS A 50 7.546 -2.912 -7.380 1.00 0.00 C ATOM 712 O HIS A 50 7.077 -2.869 -6.243 1.00 0.00 O ATOM 713 CB HIS A 50 7.063 -5.211 -8.240 1.00 0.00 C ATOM 714 CG HIS A 50 7.552 -6.412 -8.989 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.080 -6.341 -10.262 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.595 -7.718 -8.638 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.423 -7.553 -10.661 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.139 -8.406 -9.694 1.00 0.00 N ATOM 0 H HIS A 50 8.727 -4.922 -6.036 1.00 0.00 H new ATOM 0 HA HIS A 50 8.705 -3.962 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.601 -5.538 -7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.286 -4.719 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.263 -8.141 -7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.861 -7.803 -11.616 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.298 -9.413 -9.726 1.00 0.00 H new ATOM 727 N SER A 51 7.550 -1.867 -8.202 1.00 0.00 N ATOM 728 CA SER A 51 6.995 -0.579 -7.803 1.00 0.00 C ATOM 729 C SER A 51 5.695 -0.294 -8.549 1.00 0.00 C ATOM 730 O SER A 51 5.705 0.025 -9.737 1.00 0.00 O ATOM 731 CB SER A 51 8.005 0.539 -8.068 1.00 0.00 C ATOM 732 OG SER A 51 7.505 1.792 -7.633 1.00 0.00 O ATOM 0 H SER A 51 7.931 -1.887 -9.148 1.00 0.00 H new ATOM 0 HA SER A 51 6.780 -0.618 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.940 0.318 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.231 0.584 -9.133 1.00 0.00 H new ATOM 0 HG SER A 51 8.170 2.489 -7.812 1.00 0.00 H new ATOM 738 N GLY A 52 4.576 -0.411 -7.840 1.00 0.00 N ATOM 739 CA GLY A 52 3.282 -0.163 -8.450 1.00 0.00 C ATOM 740 C GLY A 52 2.290 0.443 -7.478 1.00 0.00 C ATOM 741 O GLY A 52 2.602 0.642 -6.304 1.00 0.00 O ATOM 0 H GLY A 52 4.542 -0.673 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.407 0.506 -9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.881 -1.100 -8.837 1.00 0.00 H new ATOM 745 N PHE A 53 1.090 0.738 -7.967 1.00 0.00 N ATOM 746 CA PHE A 53 0.048 1.327 -7.134 1.00 0.00 C ATOM 747 C PHE A 53 -0.941 0.263 -6.666 1.00 0.00 C ATOM 748 O PHE A 53 -1.278 -0.657 -7.411 1.00 0.00 O ATOM 749 CB PHE A 53 -0.691 2.424 -7.903 1.00 0.00 C ATOM 750 CG PHE A 53 0.204 3.241 -8.791 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.349 3.834 -8.284 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.099 3.414 -10.131 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.174 4.587 -9.099 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.722 4.166 -10.951 1.00 0.00 C ATOM 755 CZ PHE A 53 1.861 4.752 -10.434 1.00 0.00 C ATOM 0 H PHE A 53 0.815 0.579 -8.936 1.00 0.00 H new ATOM 0 HA PHE A 53 0.524 1.766 -6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.473 1.967 -8.510 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.185 3.085 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.600 3.707 -7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.987 2.956 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.063 5.046 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.473 4.295 -11.994 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.505 5.338 -11.072 1.00 0.00 H new ATOM 765 N PHE A 54 -1.402 0.397 -5.427 1.00 0.00 N ATOM 766 CA PHE A 54 -2.351 -0.553 -4.858 1.00 0.00 C ATOM 767 C PHE A 54 -3.470 0.174 -4.117 1.00 0.00 C ATOM 768 O PHE A 54 -3.284 1.264 -3.576 1.00 0.00 O ATOM 769 CB PHE A 54 -1.635 -1.515 -3.908 1.00 0.00 C ATOM 770 CG PHE A 54 -0.908 -0.823 -2.790 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.297 -0.180 -3.023 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.429 -0.817 -1.507 1.00 0.00 C ATOM 773 CE1 PHE A 54 0.969 0.458 -1.997 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.763 -0.180 -0.477 1.00 0.00 C ATOM 775 CZ PHE A 54 0.438 0.457 -0.722 1.00 0.00 C ATOM 0 H PHE A 54 -1.134 1.154 -4.798 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.791 -1.123 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.365 -2.205 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.924 -2.114 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.716 -0.177 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.366 -1.316 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.907 0.956 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.181 -0.180 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.961 0.953 0.082 1.00 0.00 H new ATOM 785 N PRO A 55 -4.660 -0.444 -4.091 1.00 0.00 N ATOM 786 CA PRO A 55 -5.832 0.125 -3.420 1.00 0.00 C ATOM 787 C PRO A 55 -5.689 0.124 -1.901 1.00 0.00 C ATOM 788 O PRO A 55 -4.962 -0.695 -1.338 1.00 0.00 O ATOM 789 CB PRO A 55 -6.972 -0.802 -3.850 1.00 0.00 C ATOM 790 CG PRO A 55 -6.308 -2.098 -4.165 1.00 0.00 C ATOM 791 CD PRO A 55 -4.953 -1.745 -4.714 1.00 0.00 C ATOM 0 HA PRO A 55 -5.988 1.169 -3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.709 -0.918 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.499 -0.406 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.218 -2.718 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.888 -2.667 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.206 -2.494 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.966 -1.676 -5.802 1.00 0.00 H new ATOM 799 N ILE A 56 -6.385 1.045 -1.245 1.00 0.00 N ATOM 800 CA ILE A 56 -6.336 1.148 0.208 1.00 0.00 C ATOM 801 C ILE A 56 -7.502 0.405 0.852 1.00 0.00 C ATOM 802 O ILE A 56 -7.384 -0.111 1.962 1.00 0.00 O ATOM 803 CB ILE A 56 -6.360 2.617 0.669 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.241 3.407 -0.011 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.229 2.700 2.183 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.291 4.892 0.271 1.00 0.00 C ATOM 0 H ILE A 56 -6.990 1.731 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.398 0.691 0.525 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.315 3.056 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.279 3.015 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.298 3.248 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.248 3.745 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.058 2.168 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.287 2.247 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.468 5.388 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.238 5.298 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.203 5.062 1.344 1.00 0.00 H new ATOM 818 N ASN A 57 -8.626 0.354 0.145 1.00 0.00 N ATOM 819 CA ASN A 57 -9.814 -0.327 0.648 1.00 0.00 C ATOM 820 C ASN A 57 -9.538 -1.811 0.868 1.00 0.00 C ATOM 821 O ASN A 57 -10.356 -2.526 1.447 1.00 0.00 O ATOM 822 CB ASN A 57 -10.978 -0.153 -0.330 1.00 0.00 C ATOM 823 CG ASN A 57 -12.303 -0.591 0.265 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.696 -1.751 0.146 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.998 0.339 0.910 1.00 0.00 N ATOM 0 H ASN A 57 -8.739 0.775 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.082 0.120 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.045 0.893 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.780 -0.730 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.897 0.104 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.633 1.289 0.984 1.00 0.00 H new ATOM 832 N TYR A 58 -8.380 -2.267 0.403 1.00 0.00 N ATOM 833 CA TYR A 58 -7.996 -3.666 0.547 1.00 0.00 C ATOM 834 C TYR A 58 -6.985 -3.840 1.676 1.00 0.00 C ATOM 835 O TYR A 58 -6.896 -4.904 2.288 1.00 0.00 O ATOM 836 CB TYR A 58 -7.409 -4.193 -0.763 1.00 0.00 C ATOM 837 CG TYR A 58 -8.455 -4.672 -1.745 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.099 -5.890 -1.565 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.798 -3.907 -2.853 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.054 -6.331 -2.460 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.753 -4.340 -3.752 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.378 -5.553 -3.552 1.00 0.00 C ATOM 843 OH TYR A 58 -11.330 -5.989 -4.445 1.00 0.00 O ATOM 0 H TYR A 58 -7.691 -1.688 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.891 -4.238 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.818 -3.405 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.727 -5.014 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.849 -6.502 -0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.309 -2.957 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.545 -7.281 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.009 -3.732 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.441 -5.324 -5.156 1.00 0.00 H new ATOM 853 N VAL A 59 -6.223 -2.784 1.948 1.00 0.00 N ATOM 854 CA VAL A 59 -5.219 -2.818 3.004 1.00 0.00 C ATOM 855 C VAL A 59 -5.565 -1.841 4.122 1.00 0.00 C ATOM 856 O VAL A 59 -6.476 -1.025 3.987 1.00 0.00 O ATOM 857 CB VAL A 59 -3.819 -2.480 2.458 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.479 -3.371 1.272 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.737 -1.011 2.073 1.00 0.00 C ATOM 0 H VAL A 59 -6.283 -1.895 1.451 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.211 -3.833 3.401 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.087 -2.667 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.486 -3.118 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.494 -4.415 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.213 -3.219 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.741 -0.790 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.478 -0.795 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.933 -0.394 2.950 1.00 0.00 H new ATOM 869 N GLU A 60 -4.831 -1.930 5.227 1.00 0.00 N ATOM 870 CA GLU A 60 -5.061 -1.054 6.369 1.00 0.00 C ATOM 871 C GLU A 60 -3.824 -0.213 6.668 1.00 0.00 C ATOM 872 O GLU A 60 -2.707 -0.729 6.718 1.00 0.00 O ATOM 873 CB GLU A 60 -5.442 -1.876 7.603 1.00 0.00 C ATOM 874 CG GLU A 60 -6.323 -1.125 8.587 1.00 0.00 C ATOM 875 CD GLU A 60 -5.525 -0.246 9.530 1.00 0.00 C ATOM 876 OE1 GLU A 60 -4.435 -0.674 9.963 1.00 0.00 O ATOM 877 OE2 GLU A 60 -5.991 0.872 9.836 1.00 0.00 O ATOM 0 H GLU A 60 -4.072 -2.600 5.355 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.883 -0.384 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.960 -2.780 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.532 -2.194 8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.034 -0.509 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.905 -1.841 9.168 1.00 0.00 H new ATOM 884 N ILE A 61 -4.031 1.085 6.864 1.00 0.00 N ATOM 885 CA ILE A 61 -2.933 1.998 7.158 1.00 0.00 C ATOM 886 C ILE A 61 -2.675 2.082 8.659 1.00 0.00 C ATOM 887 O ILE A 61 -3.498 2.600 9.414 1.00 0.00 O ATOM 888 CB ILE A 61 -3.217 3.412 6.618 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.188 3.412 5.088 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.205 4.403 7.172 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.999 2.680 4.506 1.00 0.00 C ATOM 0 H ILE A 61 -4.949 1.528 6.825 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.049 1.599 6.661 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.211 3.717 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.104 2.954 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.179 4.442 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.419 5.398 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.269 4.419 8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.201 4.103 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.044 2.721 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.078 3.151 4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.017 1.640 4.831 1.00 0.00 H new ATOM 903 N LEU A 62 -1.525 1.569 9.085 1.00 0.00 N ATOM 904 CA LEU A 62 -1.156 1.588 10.496 1.00 0.00 C ATOM 905 C LEU A 62 -0.418 2.875 10.849 1.00 0.00 C ATOM 906 O LEU A 62 -0.644 3.463 11.907 1.00 0.00 O ATOM 907 CB LEU A 62 -0.282 0.377 10.830 1.00 0.00 C ATOM 908 CG LEU A 62 -0.855 -0.989 10.452 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.264 -1.967 10.130 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.732 -1.529 11.572 1.00 0.00 C ATOM 0 H LEU A 62 -0.833 1.135 8.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.071 1.543 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.678 0.497 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.084 0.382 11.902 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.472 -0.868 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.163 -2.934 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.851 -1.586 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.908 -2.083 11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.131 -2.502 11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.139 -1.634 12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.556 -0.839 11.754 1.00 0.00 H new ATOM 922 N VAL A 63 0.465 3.309 9.955 1.00 0.00 N ATOM 923 CA VAL A 63 1.235 4.529 10.170 1.00 0.00 C ATOM 924 C VAL A 63 0.898 5.583 9.121 1.00 0.00 C ATOM 925 O VAL A 63 1.244 5.440 7.949 1.00 0.00 O ATOM 926 CB VAL A 63 2.749 4.251 10.134 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.533 5.548 10.255 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.138 3.279 11.238 1.00 0.00 C ATOM 0 H VAL A 63 0.665 2.834 9.075 1.00 0.00 H new ATOM 0 HA VAL A 63 0.965 4.904 11.158 1.00 0.00 H new ATOM 0 HB VAL A 63 2.994 3.794 9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.601 5.332 10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.275 6.208 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.286 6.036 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.211 3.094 11.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.879 3.706 12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.602 2.340 11.101 1.00 0.00 H new ATOM 938 N ALA A 64 0.221 6.643 9.552 1.00 0.00 N ATOM 939 CA ALA A 64 -0.160 7.723 8.651 1.00 0.00 C ATOM 940 C ALA A 64 1.068 8.385 8.036 1.00 0.00 C ATOM 941 O ALA A 64 1.937 8.890 8.749 1.00 0.00 O ATOM 942 CB ALA A 64 -1.003 8.753 9.389 1.00 0.00 C ATOM 0 H ALA A 64 -0.074 6.776 10.519 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.753 7.296 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.281 9.554 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.904 8.277 9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.429 9.167 10.218 1.00 0.00 H new ATOM 948 N LEU A 65 1.136 8.379 6.709 1.00 0.00 N ATOM 949 CA LEU A 65 2.260 8.979 5.998 1.00 0.00 C ATOM 950 C LEU A 65 2.515 10.402 6.484 1.00 0.00 C ATOM 951 O LEU A 65 1.615 11.090 6.966 1.00 0.00 O ATOM 952 CB LEU A 65 1.992 8.982 4.492 1.00 0.00 C ATOM 953 CG LEU A 65 1.988 7.614 3.808 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.216 7.674 2.499 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.412 7.134 3.567 1.00 0.00 C ATOM 0 H LEU A 65 0.427 7.966 6.104 1.00 0.00 H new ATOM 0 HA LEU A 65 3.148 8.381 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.027 9.457 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.746 9.605 4.010 1.00 0.00 H new ATOM 0 HG LEU A 65 1.492 6.901 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.224 6.692 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.187 7.973 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.683 8.400 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.390 6.159 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.933 7.847 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.934 7.051 4.520 1.00 0.00 H new ATOM 967 N PRO A 66 3.770 10.856 6.353 1.00 0.00 N ATOM 968 CA PRO A 66 4.173 12.202 6.770 1.00 0.00 C ATOM 969 C PRO A 66 3.582 13.287 5.876 1.00 0.00 C ATOM 970 O PRO A 66 4.093 13.555 4.787 1.00 0.00 O ATOM 971 CB PRO A 66 5.697 12.173 6.640 1.00 0.00 C ATOM 972 CG PRO A 66 5.970 11.126 5.616 1.00 0.00 C ATOM 973 CD PRO A 66 4.893 10.090 5.786 1.00 0.00 C ATOM 0 HA PRO A 66 3.822 12.439 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.086 13.142 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.171 11.930 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.950 11.548 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.958 10.689 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.625 9.629 4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.209 9.287 6.452 1.00 0.00 H new ATOM 981 N HIS A 67 2.504 13.909 6.341 1.00 0.00 N ATOM 982 CA HIS A 67 1.844 14.967 5.583 1.00 0.00 C ATOM 983 C HIS A 67 2.595 16.287 5.726 1.00 0.00 C ATOM 984 O HIS A 67 2.988 16.673 6.826 1.00 0.00 O ATOM 985 CB HIS A 67 0.399 15.135 6.053 1.00 0.00 C ATOM 986 CG HIS A 67 -0.574 14.265 5.319 1.00 0.00 C ATOM 987 ND1 HIS A 67 -1.234 14.670 4.178 1.00 0.00 N ATOM 988 CD2 HIS A 67 -0.997 13.004 5.570 1.00 0.00 C ATOM 989 CE1 HIS A 67 -2.022 13.696 3.759 1.00 0.00 C ATOM 990 NE2 HIS A 67 -1.897 12.673 4.586 1.00 0.00 N ATOM 0 H HIS A 67 2.068 13.699 7.239 1.00 0.00 H new ATOM 0 HA HIS A 67 1.845 14.681 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.343 14.910 7.118 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.105 16.178 5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.685 12.375 6.391 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.660 13.730 2.888 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.389 11.783 4.507 1.00 0.00 H new ATOM 999 N SER A 68 2.792 16.975 4.605 1.00 0.00 N ATOM 1000 CA SER A 68 3.500 18.250 4.605 1.00 0.00 C ATOM 1001 C SER A 68 2.662 19.336 3.939 1.00 0.00 C ATOM 1002 O SER A 68 2.414 20.390 4.523 1.00 0.00 O ATOM 1003 CB SER A 68 4.843 18.111 3.885 1.00 0.00 C ATOM 1004 OG SER A 68 5.819 17.531 4.732 1.00 0.00 O ATOM 0 H SER A 68 2.471 16.671 3.686 1.00 0.00 H new ATOM 0 HA SER A 68 3.680 18.539 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.719 17.496 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.183 19.091 3.551 1.00 0.00 H new ATOM 0 HG SER A 68 6.667 17.452 4.247 1.00 0.00 H new ATOM 1010 N GLY A 69 2.229 19.071 2.710 1.00 0.00 N ATOM 1011 CA GLY A 69 1.424 20.035 1.983 1.00 0.00 C ATOM 1012 C GLY A 69 0.159 20.412 2.727 1.00 0.00 C ATOM 1013 O GLY A 69 -0.439 19.598 3.432 1.00 0.00 O ATOM 0 H GLY A 69 2.421 18.206 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.015 20.932 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.160 19.622 1.009 1.00 0.00 H new ATOM 1017 N PRO A 70 -0.267 21.675 2.576 1.00 0.00 N ATOM 1018 CA PRO A 70 -1.473 22.188 3.233 1.00 0.00 C ATOM 1019 C PRO A 70 -2.749 21.585 2.655 1.00 0.00 C ATOM 1020 O PRO A 70 -2.993 21.663 1.451 1.00 0.00 O ATOM 1021 CB PRO A 70 -1.417 23.692 2.953 1.00 0.00 C ATOM 1022 CG PRO A 70 -0.612 23.815 1.706 1.00 0.00 C ATOM 1023 CD PRO A 70 0.396 22.700 1.752 1.00 0.00 C ATOM 0 HA PRO A 70 -1.497 21.939 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.416 24.108 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.953 24.231 3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.245 23.732 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.118 24.785 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.627 22.326 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.336 23.026 2.196 1.00 0.00 H new ATOM 1031 N SER A 71 -3.559 20.985 3.521 1.00 0.00 N ATOM 1032 CA SER A 71 -4.809 20.366 3.096 1.00 0.00 C ATOM 1033 C SER A 71 -6.008 21.195 3.548 1.00 0.00 C ATOM 1034 O SER A 71 -6.199 21.430 4.741 1.00 0.00 O ATOM 1035 CB SER A 71 -4.916 18.946 3.655 1.00 0.00 C ATOM 1036 OG SER A 71 -5.824 18.166 2.897 1.00 0.00 O ATOM 0 H SER A 71 -3.372 20.914 4.521 1.00 0.00 H new ATOM 0 HA SER A 71 -4.811 20.321 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.933 18.474 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.244 18.985 4.694 1.00 0.00 H new ATOM 0 HG SER A 71 -5.873 17.263 3.274 1.00 0.00 H new ATOM 1042 N SER A 72 -6.812 21.635 2.585 1.00 0.00 N ATOM 1043 CA SER A 72 -7.990 22.441 2.882 1.00 0.00 C ATOM 1044 C SER A 72 -9.140 21.564 3.369 1.00 0.00 C ATOM 1045 O SER A 72 -9.812 20.907 2.576 1.00 0.00 O ATOM 1046 CB SER A 72 -8.422 23.227 1.643 1.00 0.00 C ATOM 1047 OG SER A 72 -9.547 24.043 1.923 1.00 0.00 O ATOM 0 H SER A 72 -6.669 21.447 1.593 1.00 0.00 H new ATOM 0 HA SER A 72 -7.730 23.142 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.596 23.848 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.662 22.536 0.835 1.00 0.00 H new ATOM 0 HG SER A 72 -9.803 24.536 1.116 1.00 0.00 H new ATOM 1053 N GLY A 73 -9.359 21.560 4.680 1.00 0.00 N ATOM 1054 CA GLY A 73 -10.427 20.761 5.251 1.00 0.00 C ATOM 1055 C GLY A 73 -11.763 21.017 4.583 1.00 0.00 C ATOM 1056 O GLY A 73 -12.658 20.172 4.625 1.00 0.00 O ATOM 0 H GLY A 73 -8.816 22.096 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.175 19.704 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.509 20.978 6.316 1.00 0.00 H new TER 1060 GLY A 73