USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 GLY N :NH3+ -118:sc= 0.0859 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 148:sc= 0.118 USER MOD Single : A 6 SER OG : rot 180:sc= -1.5 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.278 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 17 MET CE :methyl 174:sc= -0.0409 (180deg=-0.127) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0518 X(o=0.052,f=-0.0022) USER MOD Single : A 29 TYR OH : rot 29:sc= 0.0829 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.58) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0.367 USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0144) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= -0.0029 (180deg=-0.203) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.96) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.22) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.642 20.594 5.377 1.00 0.00 N ATOM 2 CA GLY A 1 -13.561 19.446 4.493 1.00 0.00 C ATOM 3 C GLY A 1 -12.164 18.864 4.425 1.00 0.00 C ATOM 4 O GLY A 1 -11.207 19.469 4.910 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.296 20.385 6.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.699 20.803 5.762 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.989 21.418 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.255 18.678 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.878 19.739 3.492 1.00 0.00 H new ATOM 8 N SER A 2 -12.044 17.685 3.823 1.00 0.00 N ATOM 9 CA SER A 2 -10.753 17.018 3.698 1.00 0.00 C ATOM 10 C SER A 2 -10.004 17.511 2.464 1.00 0.00 C ATOM 11 O SER A 2 -10.556 17.553 1.364 1.00 0.00 O ATOM 12 CB SER A 2 -10.944 15.502 3.621 1.00 0.00 C ATOM 13 OG SER A 2 -10.868 14.911 4.906 1.00 0.00 O ATOM 0 H SER A 2 -12.825 17.172 3.414 1.00 0.00 H new ATOM 0 HA SER A 2 -10.161 17.258 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.911 15.277 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.182 15.069 2.973 1.00 0.00 H new ATOM 0 HG SER A 2 -10.995 13.942 4.829 1.00 0.00 H new ATOM 19 N SER A 3 -8.743 17.884 2.656 1.00 0.00 N ATOM 20 CA SER A 3 -7.917 18.379 1.560 1.00 0.00 C ATOM 21 C SER A 3 -7.834 17.352 0.435 1.00 0.00 C ATOM 22 O SER A 3 -7.488 17.681 -0.699 1.00 0.00 O ATOM 23 CB SER A 3 -6.512 18.714 2.063 1.00 0.00 C ATOM 24 OG SER A 3 -5.844 17.552 2.522 1.00 0.00 O ATOM 0 H SER A 3 -8.271 17.853 3.560 1.00 0.00 H new ATOM 0 HA SER A 3 -8.381 19.284 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.936 19.176 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.576 19.443 2.870 1.00 0.00 H new ATOM 0 HG SER A 3 -4.948 17.793 2.837 1.00 0.00 H new ATOM 30 N GLY A 4 -8.156 16.102 0.759 1.00 0.00 N ATOM 31 CA GLY A 4 -8.112 15.045 -0.234 1.00 0.00 C ATOM 32 C GLY A 4 -7.118 13.957 0.122 1.00 0.00 C ATOM 33 O GLY A 4 -5.947 14.235 0.381 1.00 0.00 O ATOM 0 H GLY A 4 -8.446 15.804 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.104 14.606 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.849 15.471 -1.202 1.00 0.00 H new ATOM 37 N SER A 5 -7.585 12.712 0.136 1.00 0.00 N ATOM 38 CA SER A 5 -6.731 11.578 0.469 1.00 0.00 C ATOM 39 C SER A 5 -7.368 10.267 0.017 1.00 0.00 C ATOM 40 O SER A 5 -8.540 10.007 0.291 1.00 0.00 O ATOM 41 CB SER A 5 -6.465 11.537 1.975 1.00 0.00 C ATOM 42 OG SER A 5 -7.678 11.506 2.706 1.00 0.00 O ATOM 0 H SER A 5 -8.550 12.463 -0.080 1.00 0.00 H new ATOM 0 HA SER A 5 -5.784 11.702 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.868 10.658 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.882 12.410 2.268 1.00 0.00 H new ATOM 0 HG SER A 5 -7.551 10.989 3.529 1.00 0.00 H new ATOM 48 N SER A 6 -6.587 9.445 -0.675 1.00 0.00 N ATOM 49 CA SER A 6 -7.075 8.162 -1.168 1.00 0.00 C ATOM 50 C SER A 6 -5.987 7.095 -1.076 1.00 0.00 C ATOM 51 O SER A 6 -5.222 6.891 -2.017 1.00 0.00 O ATOM 52 CB SER A 6 -7.551 8.295 -2.615 1.00 0.00 C ATOM 53 OG SER A 6 -8.509 9.332 -2.743 1.00 0.00 O ATOM 0 H SER A 6 -5.614 9.644 -0.907 1.00 0.00 H new ATOM 0 HA SER A 6 -7.914 7.857 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.700 8.500 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.985 7.352 -2.947 1.00 0.00 H new ATOM 0 HG SER A 6 -8.797 9.398 -3.678 1.00 0.00 H new ATOM 59 N GLY A 7 -5.925 6.419 0.067 1.00 0.00 N ATOM 60 CA GLY A 7 -4.928 5.382 0.263 1.00 0.00 C ATOM 61 C GLY A 7 -5.233 4.503 1.459 1.00 0.00 C ATOM 62 O GLY A 7 -5.861 4.947 2.421 1.00 0.00 O ATOM 0 H GLY A 7 -6.547 6.571 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.870 4.764 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.949 5.844 0.395 1.00 0.00 H new ATOM 66 N VAL A 8 -4.791 3.251 1.400 1.00 0.00 N ATOM 67 CA VAL A 8 -5.020 2.307 2.488 1.00 0.00 C ATOM 68 C VAL A 8 -3.733 1.588 2.872 1.00 0.00 C ATOM 69 O VAL A 8 -2.737 1.644 2.149 1.00 0.00 O ATOM 70 CB VAL A 8 -6.085 1.261 2.106 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.479 1.864 2.185 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.813 0.707 0.716 1.00 0.00 C ATOM 0 H VAL A 8 -4.272 2.867 0.610 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.377 2.885 3.340 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.031 0.437 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.217 1.110 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.670 2.207 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.550 2.707 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.575 -0.030 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.838 1.519 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.831 0.235 0.698 1.00 0.00 H new ATOM 82 N PHE A 9 -3.757 0.912 4.016 1.00 0.00 N ATOM 83 CA PHE A 9 -2.591 0.181 4.499 1.00 0.00 C ATOM 84 C PHE A 9 -2.758 -1.319 4.274 1.00 0.00 C ATOM 85 O PHE A 9 -3.598 -1.962 4.905 1.00 0.00 O ATOM 86 CB PHE A 9 -2.365 0.465 5.985 1.00 0.00 C ATOM 87 CG PHE A 9 -1.737 1.804 6.251 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.507 2.129 5.703 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.379 2.737 7.049 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.071 3.359 5.947 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.805 3.970 7.297 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.579 4.282 6.744 1.00 0.00 C ATOM 0 H PHE A 9 -4.572 0.855 4.627 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.721 0.519 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.321 0.411 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.729 -0.315 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.005 1.413 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.339 2.498 7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.031 3.600 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.315 4.688 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.129 5.245 6.934 1.00 0.00 H new ATOM 102 N VAL A 10 -1.953 -1.869 3.372 1.00 0.00 N ATOM 103 CA VAL A 10 -2.010 -3.294 3.065 1.00 0.00 C ATOM 104 C VAL A 10 -1.164 -4.101 4.043 1.00 0.00 C ATOM 105 O VAL A 10 -0.040 -4.491 3.733 1.00 0.00 O ATOM 106 CB VAL A 10 -1.526 -3.577 1.630 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.905 -4.989 1.209 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.098 -2.552 0.663 1.00 0.00 C ATOM 0 H VAL A 10 -1.254 -1.351 2.841 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.053 -3.597 3.156 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.439 -3.496 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.555 -5.172 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.443 -5.707 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.989 -5.101 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.746 -2.767 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.187 -2.599 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.772 -1.554 0.956 1.00 0.00 H new ATOM 118 N GLY A 11 -1.715 -4.350 5.228 1.00 0.00 N ATOM 119 CA GLY A 11 -0.998 -5.111 6.235 1.00 0.00 C ATOM 120 C GLY A 11 -0.935 -6.590 5.907 1.00 0.00 C ATOM 121 O GLY A 11 -1.384 -7.017 4.843 1.00 0.00 O ATOM 0 H GLY A 11 -2.645 -4.038 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.015 -4.719 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.483 -4.977 7.202 1.00 0.00 H new ATOM 125 N ARG A 12 -0.374 -7.373 6.822 1.00 0.00 N ATOM 126 CA ARG A 12 -0.250 -8.812 6.624 1.00 0.00 C ATOM 127 C ARG A 12 0.513 -9.121 5.339 1.00 0.00 C ATOM 128 O ARG A 12 0.279 -10.144 4.696 1.00 0.00 O ATOM 129 CB ARG A 12 -1.634 -9.463 6.576 1.00 0.00 C ATOM 130 CG ARG A 12 -2.122 -9.955 7.928 1.00 0.00 C ATOM 131 CD ARG A 12 -2.114 -11.473 8.005 1.00 0.00 C ATOM 132 NE ARG A 12 -3.215 -11.986 8.815 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.486 -11.955 8.432 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.815 -11.438 7.255 1.00 0.00 N ATOM 135 NH2 ARG A 12 -5.433 -12.442 9.224 1.00 0.00 N ATOM 0 H ARG A 12 0.002 -7.035 7.708 1.00 0.00 H new ATOM 0 HA ARG A 12 0.309 -9.222 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.351 -8.744 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.608 -10.302 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.488 -9.546 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.132 -9.586 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.181 -11.887 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.167 -11.810 8.426 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.996 -12.391 9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.091 -11.063 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.792 -11.415 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.185 -12.841 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.409 -12.417 8.927 1.00 0.00 H new ATOM 149 N CYS A 13 1.427 -8.228 4.971 1.00 0.00 N ATOM 150 CA CYS A 13 2.224 -8.404 3.762 1.00 0.00 C ATOM 151 C CYS A 13 3.639 -8.858 4.105 1.00 0.00 C ATOM 152 O CYS A 13 4.035 -8.865 5.272 1.00 0.00 O ATOM 153 CB CYS A 13 2.272 -7.100 2.964 1.00 0.00 C ATOM 154 SG CYS A 13 1.570 -7.226 1.303 1.00 0.00 S ATOM 0 H CYS A 13 1.634 -7.376 5.492 1.00 0.00 H new ATOM 0 HA CYS A 13 1.752 -9.176 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.735 -6.329 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.309 -6.773 2.885 1.00 0.00 H new ATOM 0 HG CYS A 13 1.654 -6.073 0.708 1.00 0.00 H new ATOM 160 N THR A 14 4.398 -9.238 3.082 1.00 0.00 N ATOM 161 CA THR A 14 5.768 -9.695 3.275 1.00 0.00 C ATOM 162 C THR A 14 6.749 -8.849 2.471 1.00 0.00 C ATOM 163 O THR A 14 6.531 -8.580 1.290 1.00 0.00 O ATOM 164 CB THR A 14 5.929 -11.172 2.867 1.00 0.00 C ATOM 165 OG1 THR A 14 7.305 -11.458 2.595 1.00 0.00 O ATOM 166 CG2 THR A 14 5.088 -11.491 1.642 1.00 0.00 C ATOM 0 H THR A 14 4.086 -9.238 2.111 1.00 0.00 H new ATOM 0 HA THR A 14 5.989 -9.591 4.337 1.00 0.00 H new ATOM 0 HB THR A 14 5.586 -11.793 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.399 -12.399 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.219 -12.539 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.038 -11.301 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.404 -10.862 0.810 1.00 0.00 H new ATOM 174 N GLY A 15 7.831 -8.430 3.119 1.00 0.00 N ATOM 175 CA GLY A 15 8.830 -7.618 2.449 1.00 0.00 C ATOM 176 C GLY A 15 9.190 -8.157 1.079 1.00 0.00 C ATOM 177 O GLY A 15 9.442 -7.389 0.149 1.00 0.00 O ATOM 0 H GLY A 15 8.034 -8.638 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.458 -6.598 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.728 -7.570 3.065 1.00 0.00 H new ATOM 181 N ASP A 16 9.217 -9.479 0.953 1.00 0.00 N ATOM 182 CA ASP A 16 9.550 -10.120 -0.314 1.00 0.00 C ATOM 183 C ASP A 16 8.887 -9.394 -1.480 1.00 0.00 C ATOM 184 O ASP A 16 9.562 -8.938 -2.404 1.00 0.00 O ATOM 185 CB ASP A 16 9.117 -11.587 -0.297 1.00 0.00 C ATOM 186 CG ASP A 16 10.216 -12.509 0.192 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.386 -12.292 -0.188 1.00 0.00 O ATOM 188 OD2 ASP A 16 9.906 -13.449 0.954 1.00 0.00 O ATOM 0 H ASP A 16 9.012 -10.128 1.713 1.00 0.00 H new ATOM 0 HA ASP A 16 10.631 -10.070 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.242 -11.697 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.816 -11.886 -1.301 1.00 0.00 H new ATOM 193 N MET A 17 7.563 -9.292 -1.432 1.00 0.00 N ATOM 194 CA MET A 17 6.811 -8.621 -2.485 1.00 0.00 C ATOM 195 C MET A 17 7.429 -7.267 -2.820 1.00 0.00 C ATOM 196 O MET A 17 8.260 -6.751 -2.070 1.00 0.00 O ATOM 197 CB MET A 17 5.352 -8.436 -2.060 1.00 0.00 C ATOM 198 CG MET A 17 4.443 -9.572 -2.501 1.00 0.00 C ATOM 199 SD MET A 17 2.699 -9.223 -2.197 1.00 0.00 S ATOM 200 CE MET A 17 2.232 -10.654 -1.227 1.00 0.00 C ATOM 0 H MET A 17 6.989 -9.665 -0.676 1.00 0.00 H new ATOM 0 HA MET A 17 6.848 -9.247 -3.377 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.307 -8.345 -0.975 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.977 -7.500 -2.474 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.592 -9.760 -3.564 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.725 -10.483 -1.974 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.209 -10.534 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.299 -11.550 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.904 -10.750 -0.374 1.00 0.00 H new ATOM 210 N THR A 18 7.022 -6.697 -3.949 1.00 0.00 N ATOM 211 CA THR A 18 7.538 -5.405 -4.382 1.00 0.00 C ATOM 212 C THR A 18 6.411 -4.494 -4.857 1.00 0.00 C ATOM 213 O THR A 18 5.388 -4.965 -5.352 1.00 0.00 O ATOM 214 CB THR A 18 8.567 -5.563 -5.518 1.00 0.00 C ATOM 215 OG1 THR A 18 8.010 -6.349 -6.578 1.00 0.00 O ATOM 216 CG2 THR A 18 9.840 -6.222 -5.007 1.00 0.00 C ATOM 0 H THR A 18 6.336 -7.110 -4.581 1.00 0.00 H new ATOM 0 HA THR A 18 8.027 -4.955 -3.518 1.00 0.00 H new ATOM 0 HB THR A 18 8.816 -4.571 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.670 -6.443 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.552 -6.323 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.277 -5.607 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.604 -7.208 -4.608 1.00 0.00 H new ATOM 224 N GLU A 19 6.607 -3.188 -4.703 1.00 0.00 N ATOM 225 CA GLU A 19 5.607 -2.213 -5.116 1.00 0.00 C ATOM 226 C GLU A 19 4.998 -2.594 -6.462 1.00 0.00 C ATOM 227 O GLU A 19 3.864 -2.223 -6.770 1.00 0.00 O ATOM 228 CB GLU A 19 6.228 -0.817 -5.203 1.00 0.00 C ATOM 229 CG GLU A 19 6.258 -0.081 -3.874 1.00 0.00 C ATOM 230 CD GLU A 19 7.303 1.018 -3.839 1.00 0.00 C ATOM 231 OE1 GLU A 19 7.512 1.670 -4.884 1.00 0.00 O ATOM 232 OE2 GLU A 19 7.911 1.226 -2.769 1.00 0.00 O ATOM 0 H GLU A 19 7.449 -2.782 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 19 4.815 -2.205 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.246 -0.904 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.667 -0.223 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.276 0.350 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.458 -0.793 -3.073 1.00 0.00 H new ATOM 239 N ASP A 20 5.758 -3.337 -7.260 1.00 0.00 N ATOM 240 CA ASP A 20 5.294 -3.770 -8.573 1.00 0.00 C ATOM 241 C ASP A 20 4.270 -4.893 -8.444 1.00 0.00 C ATOM 242 O ASP A 20 3.212 -4.856 -9.072 1.00 0.00 O ATOM 243 CB ASP A 20 6.475 -4.234 -9.426 1.00 0.00 C ATOM 244 CG ASP A 20 6.806 -3.256 -10.536 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.075 -2.077 -10.228 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.796 -3.670 -11.715 1.00 0.00 O ATOM 0 H ASP A 20 6.698 -3.652 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 20 4.815 -2.921 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.350 -4.366 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.246 -5.208 -9.860 1.00 0.00 H new ATOM 251 N GLU A 21 4.594 -5.891 -7.628 1.00 0.00 N ATOM 252 CA GLU A 21 3.702 -7.026 -7.419 1.00 0.00 C ATOM 253 C GLU A 21 2.308 -6.556 -7.013 1.00 0.00 C ATOM 254 O GLU A 21 1.315 -6.887 -7.662 1.00 0.00 O ATOM 255 CB GLU A 21 4.270 -7.959 -6.347 1.00 0.00 C ATOM 256 CG GLU A 21 5.451 -8.787 -6.825 1.00 0.00 C ATOM 257 CD GLU A 21 5.030 -9.946 -7.710 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.786 -9.715 -8.913 1.00 0.00 O ATOM 259 OE2 GLU A 21 4.946 -11.082 -7.199 1.00 0.00 O ATOM 0 H GLU A 21 5.466 -5.937 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 21 3.623 -7.571 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.578 -7.365 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.481 -8.629 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.141 -8.146 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.993 -9.172 -5.962 1.00 0.00 H new ATOM 266 N LEU A 22 2.243 -5.782 -5.935 1.00 0.00 N ATOM 267 CA LEU A 22 0.971 -5.267 -5.440 1.00 0.00 C ATOM 268 C LEU A 22 0.321 -4.345 -6.467 1.00 0.00 C ATOM 269 O LEU A 22 -0.860 -4.486 -6.783 1.00 0.00 O ATOM 270 CB LEU A 22 1.180 -4.516 -4.124 1.00 0.00 C ATOM 271 CG LEU A 22 1.702 -5.348 -2.952 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.581 -4.501 -2.046 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.545 -5.948 -2.167 1.00 0.00 C ATOM 0 H LEU A 22 3.055 -5.498 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 22 0.307 -6.114 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.878 -3.698 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.231 -4.067 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 22 2.306 -6.163 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.943 -5.110 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.429 -4.120 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.001 -3.665 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.935 -6.537 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.086 -5.148 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.045 -6.590 -2.822 1.00 0.00 H new ATOM 285 N ARG A 23 1.102 -3.402 -6.986 1.00 0.00 N ATOM 286 CA ARG A 23 0.603 -2.457 -7.978 1.00 0.00 C ATOM 287 C ARG A 23 -0.079 -3.188 -9.130 1.00 0.00 C ATOM 288 O ARG A 23 -1.088 -2.726 -9.661 1.00 0.00 O ATOM 289 CB ARG A 23 1.748 -1.595 -8.513 1.00 0.00 C ATOM 290 CG ARG A 23 1.398 -0.839 -9.785 1.00 0.00 C ATOM 291 CD ARG A 23 2.475 0.171 -10.148 1.00 0.00 C ATOM 292 NE ARG A 23 3.511 -0.413 -10.995 1.00 0.00 N ATOM 293 CZ ARG A 23 4.746 0.068 -11.084 1.00 0.00 C ATOM 294 NH1 ARG A 23 5.097 1.135 -10.379 1.00 0.00 N ATOM 295 NH2 ARG A 23 5.632 -0.519 -11.877 1.00 0.00 N ATOM 0 H ARG A 23 2.082 -3.273 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.131 -1.814 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.043 -0.880 -7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.612 -2.231 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.269 -1.545 -10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.446 -0.325 -9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.020 1.017 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.929 0.560 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 23 3.273 -1.236 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.418 1.588 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.046 1.503 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.365 -1.341 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.580 -0.149 -11.945 1.00 0.00 H new ATOM 309 N GLU A 24 0.480 -4.333 -9.512 1.00 0.00 N ATOM 310 CA GLU A 24 -0.075 -5.127 -10.602 1.00 0.00 C ATOM 311 C GLU A 24 -1.253 -5.968 -10.118 1.00 0.00 C ATOM 312 O GLU A 24 -2.036 -6.478 -10.919 1.00 0.00 O ATOM 313 CB GLU A 24 1.002 -6.033 -11.202 1.00 0.00 C ATOM 314 CG GLU A 24 1.397 -5.655 -12.620 1.00 0.00 C ATOM 315 CD GLU A 24 0.455 -6.230 -13.660 1.00 0.00 C ATOM 316 OE1 GLU A 24 -0.136 -7.299 -13.398 1.00 0.00 O ATOM 317 OE2 GLU A 24 0.311 -5.613 -14.735 1.00 0.00 O ATOM 0 H GLU A 24 1.316 -4.731 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.433 -4.442 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.887 -6.000 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.643 -7.062 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.414 -4.569 -12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.409 -6.007 -12.818 1.00 0.00 H new ATOM 324 N PHE A 25 -1.370 -6.110 -8.802 1.00 0.00 N ATOM 325 CA PHE A 25 -2.449 -6.891 -8.210 1.00 0.00 C ATOM 326 C PHE A 25 -3.664 -6.011 -7.927 1.00 0.00 C ATOM 327 O PHE A 25 -4.802 -6.480 -7.954 1.00 0.00 O ATOM 328 CB PHE A 25 -1.976 -7.557 -6.918 1.00 0.00 C ATOM 329 CG PHE A 25 -3.076 -8.244 -6.159 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.911 -7.524 -5.320 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.274 -9.609 -6.284 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.925 -8.152 -4.621 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.286 -10.244 -5.589 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.112 -9.515 -4.755 1.00 0.00 C ATOM 0 H PHE A 25 -0.730 -5.694 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.739 -7.663 -8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.201 -8.285 -7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.519 -6.803 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.768 -6.459 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.630 -10.184 -6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.570 -7.579 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.431 -11.309 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.902 -10.009 -4.209 1.00 0.00 H new ATOM 344 N PHE A 26 -3.413 -4.736 -7.656 1.00 0.00 N ATOM 345 CA PHE A 26 -4.485 -3.790 -7.367 1.00 0.00 C ATOM 346 C PHE A 26 -4.980 -3.121 -8.645 1.00 0.00 C ATOM 347 O PHE A 26 -5.973 -2.394 -8.633 1.00 0.00 O ATOM 348 CB PHE A 26 -4.004 -2.729 -6.376 1.00 0.00 C ATOM 349 CG PHE A 26 -3.790 -3.259 -4.987 1.00 0.00 C ATOM 350 CD1 PHE A 26 -4.827 -3.860 -4.292 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.551 -3.155 -4.374 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.633 -4.349 -3.014 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.351 -3.642 -3.097 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.394 -4.239 -2.415 1.00 0.00 C ATOM 0 H PHE A 26 -2.476 -4.333 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.313 -4.343 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.071 -2.300 -6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.734 -1.920 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.799 -3.947 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.732 -2.688 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.450 -4.817 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.380 -3.556 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.240 -4.619 -1.416 1.00 0.00 H new ATOM 364 N SER A 27 -4.279 -3.371 -9.746 1.00 0.00 N ATOM 365 CA SER A 27 -4.644 -2.791 -11.034 1.00 0.00 C ATOM 366 C SER A 27 -5.962 -3.369 -11.537 1.00 0.00 C ATOM 367 O SER A 27 -6.678 -2.731 -12.308 1.00 0.00 O ATOM 368 CB SER A 27 -3.538 -3.039 -12.061 1.00 0.00 C ATOM 369 OG SER A 27 -3.089 -1.823 -12.632 1.00 0.00 O ATOM 0 H SER A 27 -3.455 -3.971 -9.772 1.00 0.00 H new ATOM 0 HA SER A 27 -4.768 -1.717 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.702 -3.550 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.908 -3.698 -12.846 1.00 0.00 H new ATOM 0 HG SER A 27 -2.381 -2.009 -13.284 1.00 0.00 H new ATOM 375 N GLN A 28 -6.276 -4.584 -11.096 1.00 0.00 N ATOM 376 CA GLN A 28 -7.506 -5.250 -11.502 1.00 0.00 C ATOM 377 C GLN A 28 -8.694 -4.743 -10.689 1.00 0.00 C ATOM 378 O GLN A 28 -9.838 -4.803 -11.140 1.00 0.00 O ATOM 379 CB GLN A 28 -7.370 -6.765 -11.337 1.00 0.00 C ATOM 380 CG GLN A 28 -7.398 -7.224 -9.888 1.00 0.00 C ATOM 381 CD GLN A 28 -7.270 -8.728 -9.750 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.040 -9.486 -10.342 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.294 -9.170 -8.966 1.00 0.00 N ATOM 0 H GLN A 28 -5.694 -5.126 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.683 -5.021 -12.553 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.178 -7.255 -11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.435 -7.089 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.586 -6.743 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.330 -6.899 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.679 -8.507 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.159 -10.173 -8.835 1.00 0.00 H new ATOM 392 N TYR A 29 -8.413 -4.244 -9.490 1.00 0.00 N ATOM 393 CA TYR A 29 -9.458 -3.730 -8.614 1.00 0.00 C ATOM 394 C TYR A 29 -9.900 -2.336 -9.052 1.00 0.00 C ATOM 395 O TYR A 29 -11.090 -2.077 -9.229 1.00 0.00 O ATOM 396 CB TYR A 29 -8.964 -3.689 -7.167 1.00 0.00 C ATOM 397 CG TYR A 29 -8.871 -5.051 -6.519 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.845 -5.930 -6.848 1.00 0.00 C ATOM 399 CD2 TYR A 29 -9.808 -5.461 -5.578 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.758 -7.176 -6.259 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.727 -6.706 -4.984 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.700 -7.560 -5.328 1.00 0.00 C ATOM 403 OH TYR A 29 -8.615 -8.800 -4.739 1.00 0.00 O ATOM 0 H TYR A 29 -7.471 -4.185 -9.103 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.315 -4.400 -8.680 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.982 -3.216 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.636 -3.062 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.104 -5.633 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.614 -4.795 -5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.955 -7.847 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.464 -7.009 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.677 -9.082 -4.703 1.00 0.00 H new ATOM 413 N GLY A 30 -8.931 -1.442 -9.225 1.00 0.00 N ATOM 414 CA GLY A 30 -9.238 -0.087 -9.642 1.00 0.00 C ATOM 415 C GLY A 30 -8.098 0.557 -10.404 1.00 0.00 C ATOM 416 O GLY A 30 -7.473 -0.078 -11.253 1.00 0.00 O ATOM 0 H GLY A 30 -7.939 -1.632 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.130 -0.096 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.471 0.516 -8.764 1.00 0.00 H new ATOM 420 N ASP A 31 -7.828 1.824 -10.105 1.00 0.00 N ATOM 421 CA ASP A 31 -6.755 2.555 -10.769 1.00 0.00 C ATOM 422 C ASP A 31 -5.735 3.062 -9.755 1.00 0.00 C ATOM 423 O ASP A 31 -5.730 4.240 -9.398 1.00 0.00 O ATOM 424 CB ASP A 31 -7.327 3.729 -11.565 1.00 0.00 C ATOM 425 CG ASP A 31 -6.640 3.909 -12.904 1.00 0.00 C ATOM 426 OD1 ASP A 31 -5.393 3.975 -12.928 1.00 0.00 O ATOM 427 OD2 ASP A 31 -7.349 3.984 -13.929 1.00 0.00 O ATOM 0 H ASP A 31 -8.338 2.366 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.252 1.872 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.393 3.570 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.225 4.644 -10.982 1.00 0.00 H new ATOM 432 N VAL A 32 -4.870 2.163 -9.294 1.00 0.00 N ATOM 433 CA VAL A 32 -3.844 2.518 -8.321 1.00 0.00 C ATOM 434 C VAL A 32 -2.853 3.516 -8.908 1.00 0.00 C ATOM 435 O VAL A 32 -1.965 3.146 -9.676 1.00 0.00 O ATOM 436 CB VAL A 32 -3.076 1.274 -7.835 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.748 0.359 -9.004 1.00 0.00 C ATOM 438 CG2 VAL A 32 -1.812 1.684 -7.095 1.00 0.00 C ATOM 0 H VAL A 32 -4.860 1.184 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.356 2.974 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.712 0.723 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.206 -0.514 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.672 0.038 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.131 0.896 -9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.282 0.793 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.170 2.258 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.077 2.295 -6.232 1.00 0.00 H new ATOM 448 N MET A 33 -3.010 4.784 -8.540 1.00 0.00 N ATOM 449 CA MET A 33 -2.126 5.836 -9.031 1.00 0.00 C ATOM 450 C MET A 33 -0.663 5.451 -8.837 1.00 0.00 C ATOM 451 O MET A 33 0.150 5.584 -9.752 1.00 0.00 O ATOM 452 CB MET A 33 -2.418 7.153 -8.309 1.00 0.00 C ATOM 453 CG MET A 33 -3.598 7.916 -8.891 1.00 0.00 C ATOM 454 SD MET A 33 -3.741 9.585 -8.225 1.00 0.00 S ATOM 455 CE MET A 33 -3.077 10.548 -9.582 1.00 0.00 C ATOM 0 H MET A 33 -3.740 5.108 -7.905 1.00 0.00 H new ATOM 0 HA MET A 33 -2.311 5.964 -10.097 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.613 6.946 -7.257 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.531 7.785 -8.350 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.493 7.969 -9.975 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.517 7.367 -8.686 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.098 11.606 -9.322 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.049 10.243 -9.776 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.679 10.382 -10.475 1.00 0.00 H new ATOM 465 N ASP A 34 -0.334 4.973 -7.642 1.00 0.00 N ATOM 466 CA ASP A 34 1.032 4.568 -7.329 1.00 0.00 C ATOM 467 C ASP A 34 1.066 3.693 -6.080 1.00 0.00 C ATOM 468 O ASP A 34 0.037 3.455 -5.448 1.00 0.00 O ATOM 469 CB ASP A 34 1.919 5.798 -7.130 1.00 0.00 C ATOM 470 CG ASP A 34 3.142 5.782 -8.025 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.120 5.066 -9.048 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.122 6.485 -7.702 1.00 0.00 O ATOM 0 H ASP A 34 -0.995 4.856 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 34 1.414 3.987 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.337 6.698 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.236 5.849 -6.088 1.00 0.00 H new ATOM 477 N VAL A 35 2.257 3.215 -5.732 1.00 0.00 N ATOM 478 CA VAL A 35 2.426 2.367 -4.559 1.00 0.00 C ATOM 479 C VAL A 35 3.775 2.612 -3.892 1.00 0.00 C ATOM 480 O VAL A 35 4.826 2.394 -4.494 1.00 0.00 O ATOM 481 CB VAL A 35 2.311 0.875 -4.923 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.606 0.004 -3.713 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.931 0.570 -5.486 1.00 0.00 C ATOM 0 H VAL A 35 3.118 3.401 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 35 1.627 2.627 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 35 3.051 0.649 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.519 -1.046 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.617 0.204 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.893 0.229 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.867 -0.489 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.173 0.813 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.764 1.167 -6.382 1.00 0.00 H new ATOM 493 N PHE A 36 3.738 3.068 -2.645 1.00 0.00 N ATOM 494 CA PHE A 36 4.959 3.345 -1.895 1.00 0.00 C ATOM 495 C PHE A 36 5.015 2.509 -0.621 1.00 0.00 C ATOM 496 O PHE A 36 3.996 1.998 -0.155 1.00 0.00 O ATOM 497 CB PHE A 36 5.043 4.833 -1.547 1.00 0.00 C ATOM 498 CG PHE A 36 6.009 5.135 -0.439 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.376 5.107 -0.666 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.552 5.448 0.832 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.268 5.385 0.353 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.439 5.725 1.855 1.00 0.00 C ATOM 503 CZ PHE A 36 7.799 5.696 1.615 1.00 0.00 C ATOM 0 H PHE A 36 2.876 3.254 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 36 5.810 3.078 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.337 5.390 -2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.053 5.188 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.749 4.865 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.490 5.476 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.331 5.359 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.069 5.964 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.494 5.916 2.412 1.00 0.00 H new ATOM 513 N ILE A 37 6.214 2.373 -0.062 1.00 0.00 N ATOM 514 CA ILE A 37 6.403 1.600 1.160 1.00 0.00 C ATOM 515 C ILE A 37 7.007 2.458 2.266 1.00 0.00 C ATOM 516 O ILE A 37 8.220 2.658 2.337 1.00 0.00 O ATOM 517 CB ILE A 37 7.311 0.379 0.918 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.778 -0.457 -0.248 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.412 -0.463 2.180 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.811 -1.383 -0.849 1.00 0.00 C ATOM 0 H ILE A 37 7.068 2.788 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 37 5.417 1.254 1.471 1.00 0.00 H new ATOM 0 HB ILE A 37 8.310 0.732 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.929 -1.048 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.406 0.212 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.057 -1.322 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.833 0.138 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.419 -0.810 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.363 -1.944 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.650 -0.797 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.166 -2.076 -0.086 1.00 0.00 H new ATOM 532 N PRO A 38 6.144 2.977 3.151 1.00 0.00 N ATOM 533 CA PRO A 38 6.570 3.820 4.272 1.00 0.00 C ATOM 534 C PRO A 38 7.335 3.034 5.330 1.00 0.00 C ATOM 535 O PRO A 38 6.792 2.121 5.953 1.00 0.00 O ATOM 536 CB PRO A 38 5.250 4.344 4.843 1.00 0.00 C ATOM 537 CG PRO A 38 4.237 3.323 4.455 1.00 0.00 C ATOM 538 CD PRO A 38 4.684 2.780 3.126 1.00 0.00 C ATOM 0 HA PRO A 38 7.254 4.607 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.304 4.456 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.002 5.323 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.177 2.530 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.244 3.767 4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.422 1.728 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.220 3.315 2.297 1.00 0.00 H new ATOM 546 N LYS A 39 8.598 3.393 5.531 1.00 0.00 N ATOM 547 CA LYS A 39 9.438 2.723 6.516 1.00 0.00 C ATOM 548 C LYS A 39 9.258 3.345 7.897 1.00 0.00 C ATOM 549 O LYS A 39 8.858 4.501 8.037 1.00 0.00 O ATOM 550 CB LYS A 39 10.908 2.799 6.099 1.00 0.00 C ATOM 551 CG LYS A 39 11.287 1.799 5.021 1.00 0.00 C ATOM 552 CD LYS A 39 12.306 0.791 5.528 1.00 0.00 C ATOM 553 CE LYS A 39 12.197 -0.533 4.787 1.00 0.00 C ATOM 554 NZ LYS A 39 12.746 -0.441 3.405 1.00 0.00 N ATOM 0 H LYS A 39 9.063 4.146 5.024 1.00 0.00 H new ATOM 0 HA LYS A 39 9.134 1.677 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.124 3.806 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.535 2.631 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.394 1.275 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.695 2.328 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.311 1.195 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.156 0.625 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.733 -1.304 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.152 -0.840 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.654 -1.363 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.218 0.277 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.750 -0.173 3.447 1.00 0.00 H new ATOM 568 N PRO A 40 9.560 2.561 8.944 1.00 0.00 N ATOM 569 CA PRO A 40 10.035 1.184 8.790 1.00 0.00 C ATOM 570 C PRO A 40 8.945 0.248 8.279 1.00 0.00 C ATOM 571 O PRO A 40 7.806 0.291 8.745 1.00 0.00 O ATOM 572 CB PRO A 40 10.453 0.792 10.209 1.00 0.00 C ATOM 573 CG PRO A 40 9.637 1.664 11.099 1.00 0.00 C ATOM 574 CD PRO A 40 9.459 2.961 10.357 1.00 0.00 C ATOM 0 HA PRO A 40 10.839 1.110 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.258 -0.263 10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.519 0.953 10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.673 1.205 11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.138 1.826 12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.496 3.421 10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.227 3.686 10.625 1.00 0.00 H new ATOM 582 N PHE A 41 9.300 -0.598 7.317 1.00 0.00 N ATOM 583 CA PHE A 41 8.352 -1.545 6.743 1.00 0.00 C ATOM 584 C PHE A 41 7.920 -2.579 7.778 1.00 0.00 C ATOM 585 O PHE A 41 8.735 -3.364 8.264 1.00 0.00 O ATOM 586 CB PHE A 41 8.969 -2.246 5.531 1.00 0.00 C ATOM 587 CG PHE A 41 8.207 -3.463 5.090 1.00 0.00 C ATOM 588 CD1 PHE A 41 7.066 -3.340 4.316 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.634 -4.732 5.453 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.362 -4.458 3.909 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.935 -5.853 5.047 1.00 0.00 C ATOM 592 CZ PHE A 41 6.797 -5.716 4.276 1.00 0.00 C ATOM 0 H PHE A 41 10.238 -0.647 6.919 1.00 0.00 H new ATOM 0 HA PHE A 41 7.471 -0.989 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.023 -1.541 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.992 -2.535 5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.721 -2.358 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.521 -4.845 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.473 -4.348 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.279 -6.836 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.249 -6.591 3.961 1.00 0.00 H new ATOM 602 N ARG A 42 6.633 -2.574 8.111 1.00 0.00 N ATOM 603 CA ARG A 42 6.093 -3.510 9.089 1.00 0.00 C ATOM 604 C ARG A 42 4.971 -4.347 8.480 1.00 0.00 C ATOM 605 O ARG A 42 3.792 -4.046 8.662 1.00 0.00 O ATOM 606 CB ARG A 42 5.574 -2.756 10.315 1.00 0.00 C ATOM 607 CG ARG A 42 6.592 -2.645 11.438 1.00 0.00 C ATOM 608 CD ARG A 42 6.190 -1.585 12.452 1.00 0.00 C ATOM 609 NE ARG A 42 6.378 -2.041 13.826 1.00 0.00 N ATOM 610 CZ ARG A 42 5.769 -1.495 14.872 1.00 0.00 C ATOM 611 NH1 ARG A 42 4.935 -0.479 14.702 1.00 0.00 N ATOM 612 NH2 ARG A 42 5.992 -1.967 16.092 1.00 0.00 N ATOM 0 H ARG A 42 5.945 -1.932 7.717 1.00 0.00 H new ATOM 0 HA ARG A 42 6.896 -4.180 9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.269 -1.754 10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.684 -3.260 10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.691 -3.609 11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.569 -2.400 11.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.779 -0.683 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.145 -1.316 12.300 1.00 0.00 H new ATOM 0 HE ARG A 42 7.012 -2.822 13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.759 -0.114 13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.469 -0.062 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.632 -2.750 16.227 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.524 -1.547 16.895 1.00 0.00 H new ATOM 626 N ALA A 43 5.349 -5.396 7.757 1.00 0.00 N ATOM 627 CA ALA A 43 4.376 -6.276 7.123 1.00 0.00 C ATOM 628 C ALA A 43 3.165 -5.491 6.629 1.00 0.00 C ATOM 629 O ALA A 43 2.032 -5.964 6.707 1.00 0.00 O ATOM 630 CB ALA A 43 3.940 -7.366 8.091 1.00 0.00 C ATOM 0 H ALA A 43 6.322 -5.657 7.596 1.00 0.00 H new ATOM 0 HA ALA A 43 4.853 -6.741 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.213 -8.016 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.807 -7.953 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.487 -6.911 8.972 1.00 0.00 H new ATOM 636 N PHE A 44 3.414 -4.288 6.119 1.00 0.00 N ATOM 637 CA PHE A 44 2.344 -3.437 5.614 1.00 0.00 C ATOM 638 C PHE A 44 2.892 -2.391 4.647 1.00 0.00 C ATOM 639 O PHE A 44 3.988 -1.866 4.840 1.00 0.00 O ATOM 640 CB PHE A 44 1.621 -2.747 6.773 1.00 0.00 C ATOM 641 CG PHE A 44 2.183 -1.396 7.111 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.508 -1.259 7.494 1.00 0.00 C ATOM 643 CD2 PHE A 44 1.389 -0.263 7.046 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.028 -0.018 7.807 1.00 0.00 C ATOM 645 CE2 PHE A 44 1.903 0.981 7.357 1.00 0.00 C ATOM 646 CZ PHE A 44 3.225 1.104 7.737 1.00 0.00 C ATOM 0 H PHE A 44 4.347 -3.882 6.045 1.00 0.00 H new ATOM 0 HA PHE A 44 1.635 -4.068 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.566 -2.640 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.674 -3.385 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.141 -2.132 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.355 -0.353 6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.062 0.075 8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.272 1.856 7.303 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.630 2.075 7.979 1.00 0.00 H new ATOM 656 N ALA A 45 2.121 -2.094 3.607 1.00 0.00 N ATOM 657 CA ALA A 45 2.528 -1.111 2.610 1.00 0.00 C ATOM 658 C ALA A 45 1.411 -0.108 2.341 1.00 0.00 C ATOM 659 O ALA A 45 0.266 -0.314 2.745 1.00 0.00 O ATOM 660 CB ALA A 45 2.938 -1.805 1.320 1.00 0.00 C ATOM 0 H ALA A 45 1.211 -2.520 3.432 1.00 0.00 H new ATOM 0 HA ALA A 45 3.385 -0.565 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.239 -1.058 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.773 -2.477 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.096 -2.378 0.931 1.00 0.00 H new ATOM 666 N PHE A 46 1.752 0.980 1.658 1.00 0.00 N ATOM 667 CA PHE A 46 0.778 2.017 1.336 1.00 0.00 C ATOM 668 C PHE A 46 0.466 2.026 -0.157 1.00 0.00 C ATOM 669 O PHE A 46 1.352 1.827 -0.988 1.00 0.00 O ATOM 670 CB PHE A 46 1.301 3.389 1.769 1.00 0.00 C ATOM 671 CG PHE A 46 0.268 4.476 1.686 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.783 4.521 2.587 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.349 5.453 0.707 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.735 5.521 2.514 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.600 6.455 0.630 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.644 6.489 1.534 1.00 0.00 C ATOM 0 H PHE A 46 2.695 1.166 1.317 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.142 1.799 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.666 3.323 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.152 3.659 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.860 3.766 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.162 5.431 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.549 5.545 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.525 7.212 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.387 7.271 1.474 1.00 0.00 H new ATOM 686 N VAL A 47 -0.799 2.258 -0.490 1.00 0.00 N ATOM 687 CA VAL A 47 -1.229 2.294 -1.882 1.00 0.00 C ATOM 688 C VAL A 47 -2.188 3.454 -2.132 1.00 0.00 C ATOM 689 O VAL A 47 -3.090 3.711 -1.335 1.00 0.00 O ATOM 690 CB VAL A 47 -1.917 0.978 -2.292 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.329 1.022 -3.756 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.001 -0.207 -2.023 1.00 0.00 C ATOM 0 H VAL A 47 -1.545 2.424 0.186 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.332 2.430 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.818 0.857 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.813 0.083 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.024 1.847 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.446 1.167 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.502 -1.129 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.082 -0.094 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.762 -0.248 -0.960 1.00 0.00 H new ATOM 702 N THR A 48 -1.986 4.152 -3.246 1.00 0.00 N ATOM 703 CA THR A 48 -2.830 5.285 -3.602 1.00 0.00 C ATOM 704 C THR A 48 -3.722 4.954 -4.792 1.00 0.00 C ATOM 705 O THR A 48 -3.284 4.318 -5.752 1.00 0.00 O ATOM 706 CB THR A 48 -1.988 6.530 -3.936 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.945 6.691 -2.968 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.856 7.779 -3.967 1.00 0.00 C ATOM 0 H THR A 48 -1.244 3.952 -3.917 1.00 0.00 H new ATOM 0 HA THR A 48 -3.453 5.500 -2.734 1.00 0.00 H new ATOM 0 HB THR A 48 -1.548 6.389 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.413 7.484 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.239 8.645 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.630 7.665 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.322 7.922 -2.992 1.00 0.00 H new ATOM 716 N PHE A 49 -4.976 5.389 -4.726 1.00 0.00 N ATOM 717 CA PHE A 49 -5.931 5.137 -5.800 1.00 0.00 C ATOM 718 C PHE A 49 -6.464 6.448 -6.370 1.00 0.00 C ATOM 719 O PHE A 49 -6.849 7.350 -5.626 1.00 0.00 O ATOM 720 CB PHE A 49 -7.091 4.279 -5.289 1.00 0.00 C ATOM 721 CG PHE A 49 -6.728 2.835 -5.095 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.665 1.972 -6.178 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.449 2.340 -3.832 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.333 0.641 -6.002 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.115 1.011 -3.650 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.056 0.161 -4.736 1.00 0.00 C ATOM 0 H PHE A 49 -5.355 5.918 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.414 4.599 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.444 4.687 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.920 4.346 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.877 2.343 -7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.493 3.001 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.290 -0.023 -6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.900 0.638 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.794 -0.877 -4.597 1.00 0.00 H new ATOM 736 N ALA A 50 -6.485 6.544 -7.695 1.00 0.00 N ATOM 737 CA ALA A 50 -6.973 7.743 -8.367 1.00 0.00 C ATOM 738 C ALA A 50 -8.336 8.158 -7.825 1.00 0.00 C ATOM 739 O ALA A 50 -8.717 9.326 -7.906 1.00 0.00 O ATOM 740 CB ALA A 50 -7.047 7.514 -9.868 1.00 0.00 C ATOM 0 H ALA A 50 -6.170 5.806 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.270 8.552 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.413 8.417 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.055 7.272 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.727 6.688 -10.077 1.00 0.00 H new ATOM 746 N ASP A 51 -9.068 7.195 -7.275 1.00 0.00 N ATOM 747 CA ASP A 51 -10.390 7.461 -6.721 1.00 0.00 C ATOM 748 C ASP A 51 -10.463 7.032 -5.258 1.00 0.00 C ATOM 749 O ASP A 51 -10.188 5.879 -4.925 1.00 0.00 O ATOM 750 CB ASP A 51 -11.463 6.734 -7.532 1.00 0.00 C ATOM 751 CG ASP A 51 -11.969 7.563 -8.696 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.139 7.986 -9.529 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.195 7.788 -8.776 1.00 0.00 O ATOM 0 H ASP A 51 -8.768 6.223 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.570 8.535 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.056 5.795 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.299 6.481 -6.879 1.00 0.00 H new ATOM 758 N ASP A 52 -10.833 7.967 -4.390 1.00 0.00 N ATOM 759 CA ASP A 52 -10.942 7.685 -2.964 1.00 0.00 C ATOM 760 C ASP A 52 -11.973 6.592 -2.702 1.00 0.00 C ATOM 761 O ASP A 52 -11.879 5.861 -1.716 1.00 0.00 O ATOM 762 CB ASP A 52 -11.321 8.954 -2.199 1.00 0.00 C ATOM 763 CG ASP A 52 -12.779 9.327 -2.383 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.269 9.258 -3.530 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.430 9.686 -1.380 1.00 0.00 O ATOM 0 H ASP A 52 -11.062 8.927 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.971 7.334 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.117 8.810 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.693 9.779 -2.535 1.00 0.00 H new ATOM 770 N GLN A 53 -12.954 6.486 -3.592 1.00 0.00 N ATOM 771 CA GLN A 53 -14.004 5.483 -3.456 1.00 0.00 C ATOM 772 C GLN A 53 -13.445 4.079 -3.664 1.00 0.00 C ATOM 773 O GLN A 53 -14.000 3.100 -3.165 1.00 0.00 O ATOM 774 CB GLN A 53 -15.128 5.751 -4.459 1.00 0.00 C ATOM 775 CG GLN A 53 -15.853 7.066 -4.222 1.00 0.00 C ATOM 776 CD GLN A 53 -17.253 6.869 -3.674 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.234 7.311 -4.273 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.353 6.204 -2.529 1.00 0.00 N ATOM 0 H GLN A 53 -13.044 7.082 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.406 5.549 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.712 5.751 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.849 4.935 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.276 7.674 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.908 7.620 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.513 5.855 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.270 6.042 -2.112 1.00 0.00 H new ATOM 787 N ILE A 54 -12.345 3.989 -4.404 1.00 0.00 N ATOM 788 CA ILE A 54 -11.711 2.705 -4.676 1.00 0.00 C ATOM 789 C ILE A 54 -11.009 2.164 -3.435 1.00 0.00 C ATOM 790 O ILE A 54 -11.011 0.960 -3.185 1.00 0.00 O ATOM 791 CB ILE A 54 -10.689 2.814 -5.824 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.377 3.294 -7.104 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.007 1.474 -6.054 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.423 3.513 -8.256 1.00 0.00 C ATOM 0 H ILE A 54 -11.875 4.790 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.504 2.018 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.929 3.544 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.129 2.562 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.903 4.226 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.288 1.567 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.489 1.169 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.755 0.725 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.979 3.852 -9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.686 4.267 -7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.915 2.578 -8.490 1.00 0.00 H new ATOM 806 N ALA A 55 -10.410 3.064 -2.662 1.00 0.00 N ATOM 807 CA ALA A 55 -9.707 2.677 -1.445 1.00 0.00 C ATOM 808 C ALA A 55 -10.681 2.473 -0.289 1.00 0.00 C ATOM 809 O ALA A 55 -10.461 1.630 0.579 1.00 0.00 O ATOM 810 CB ALA A 55 -8.666 3.725 -1.081 1.00 0.00 C ATOM 0 H ALA A 55 -10.397 4.065 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.203 1.729 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.149 3.423 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.945 3.819 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.157 4.684 -0.918 1.00 0.00 H new ATOM 816 N GLN A 56 -11.759 3.251 -0.286 1.00 0.00 N ATOM 817 CA GLN A 56 -12.766 3.156 0.764 1.00 0.00 C ATOM 818 C GLN A 56 -13.460 1.798 0.732 1.00 0.00 C ATOM 819 O GLN A 56 -13.512 1.092 1.739 1.00 0.00 O ATOM 820 CB GLN A 56 -13.799 4.274 0.612 1.00 0.00 C ATOM 821 CG GLN A 56 -13.752 5.302 1.731 1.00 0.00 C ATOM 822 CD GLN A 56 -13.655 6.724 1.213 1.00 0.00 C ATOM 823 OE1 GLN A 56 -14.142 7.035 0.126 1.00 0.00 O ATOM 824 NE2 GLN A 56 -13.023 7.596 1.991 1.00 0.00 N ATOM 0 H GLN A 56 -11.957 3.954 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.263 3.264 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.638 4.779 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.796 3.834 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.646 5.204 2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.897 5.094 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.635 7.294 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.926 8.567 1.695 1.00 0.00 H new ATOM 833 N SER A 57 -13.992 1.439 -0.431 1.00 0.00 N ATOM 834 CA SER A 57 -14.687 0.167 -0.594 1.00 0.00 C ATOM 835 C SER A 57 -13.780 -1.000 -0.215 1.00 0.00 C ATOM 836 O SER A 57 -14.249 -2.042 0.243 1.00 0.00 O ATOM 837 CB SER A 57 -15.169 0.007 -2.037 1.00 0.00 C ATOM 838 OG SER A 57 -16.547 0.316 -2.152 1.00 0.00 O ATOM 0 H SER A 57 -13.955 2.011 -1.275 1.00 0.00 H new ATOM 0 HA SER A 57 -15.550 0.164 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.591 0.660 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.993 -1.016 -2.371 1.00 0.00 H new ATOM 0 HG SER A 57 -16.830 0.208 -3.084 1.00 0.00 H new ATOM 844 N LEU A 58 -12.479 -0.816 -0.410 1.00 0.00 N ATOM 845 CA LEU A 58 -11.504 -1.853 -0.089 1.00 0.00 C ATOM 846 C LEU A 58 -11.363 -2.020 1.420 1.00 0.00 C ATOM 847 O LEU A 58 -11.082 -3.114 1.910 1.00 0.00 O ATOM 848 CB LEU A 58 -10.146 -1.512 -0.707 1.00 0.00 C ATOM 849 CG LEU A 58 -9.827 -2.184 -2.041 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.521 -1.652 -2.609 1.00 0.00 C ATOM 851 CD2 LEU A 58 -9.762 -3.696 -1.875 1.00 0.00 C ATOM 0 H LEU A 58 -12.075 0.041 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.860 -2.795 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.094 -0.432 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.367 -1.780 0.007 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.627 -1.949 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.311 -2.143 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.604 -0.577 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.710 -1.855 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.534 -4.158 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.983 -3.950 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.723 -4.064 -1.514 1.00 0.00 H new ATOM 863 N CYS A 59 -11.561 -0.928 2.151 1.00 0.00 N ATOM 864 CA CYS A 59 -11.457 -0.954 3.605 1.00 0.00 C ATOM 865 C CYS A 59 -12.476 -1.916 4.207 1.00 0.00 C ATOM 866 O CYS A 59 -13.676 -1.645 4.207 1.00 0.00 O ATOM 867 CB CYS A 59 -11.663 0.451 4.177 1.00 0.00 C ATOM 868 SG CYS A 59 -11.492 0.548 5.974 1.00 0.00 S ATOM 0 H CYS A 59 -11.794 -0.015 1.761 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.458 -1.302 3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.943 1.128 3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.656 0.804 3.898 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.681 1.774 6.362 1.00 0.00 H new ATOM 874 N GLY A 60 -11.989 -3.042 4.719 1.00 0.00 N ATOM 875 CA GLY A 60 -12.871 -4.029 5.314 1.00 0.00 C ATOM 876 C GLY A 60 -12.971 -5.293 4.485 1.00 0.00 C ATOM 877 O GLY A 60 -13.738 -6.198 4.812 1.00 0.00 O ATOM 0 H GLY A 60 -10.999 -3.288 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.510 -4.280 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.865 -3.598 5.434 1.00 0.00 H new ATOM 881 N GLU A 61 -12.196 -5.354 3.406 1.00 0.00 N ATOM 882 CA GLU A 61 -12.203 -6.517 2.526 1.00 0.00 C ATOM 883 C GLU A 61 -10.859 -7.237 2.565 1.00 0.00 C ATOM 884 O GLU A 61 -9.803 -6.605 2.541 1.00 0.00 O ATOM 885 CB GLU A 61 -12.529 -6.096 1.091 1.00 0.00 C ATOM 886 CG GLU A 61 -13.485 -4.919 1.004 1.00 0.00 C ATOM 887 CD GLU A 61 -14.344 -4.957 -0.245 1.00 0.00 C ATOM 888 OE1 GLU A 61 -13.775 -4.978 -1.356 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.585 -4.964 -0.110 1.00 0.00 O ATOM 0 H GLU A 61 -11.556 -4.613 3.121 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.973 -7.204 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.603 -5.839 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.962 -6.945 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.129 -4.913 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.915 -3.990 1.020 1.00 0.00 H new ATOM 896 N ASP A 62 -10.907 -8.564 2.624 1.00 0.00 N ATOM 897 CA ASP A 62 -9.693 -9.371 2.666 1.00 0.00 C ATOM 898 C ASP A 62 -9.385 -9.960 1.292 1.00 0.00 C ATOM 899 O ASP A 62 -10.229 -10.617 0.683 1.00 0.00 O ATOM 900 CB ASP A 62 -9.836 -10.494 3.694 1.00 0.00 C ATOM 901 CG ASP A 62 -10.042 -9.968 5.101 1.00 0.00 C ATOM 902 OD1 ASP A 62 -9.271 -9.078 5.520 1.00 0.00 O ATOM 903 OD2 ASP A 62 -10.974 -10.444 5.782 1.00 0.00 O ATOM 0 H ASP A 62 -11.773 -9.103 2.644 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.866 -8.724 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.679 -11.129 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.944 -11.120 3.670 1.00 0.00 H new ATOM 908 N LEU A 63 -8.171 -9.718 0.810 1.00 0.00 N ATOM 909 CA LEU A 63 -7.750 -10.223 -0.493 1.00 0.00 C ATOM 910 C LEU A 63 -6.574 -11.183 -0.351 1.00 0.00 C ATOM 911 O LEU A 63 -5.800 -11.095 0.602 1.00 0.00 O ATOM 912 CB LEU A 63 -7.367 -9.061 -1.412 1.00 0.00 C ATOM 913 CG LEU A 63 -8.146 -7.761 -1.211 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.610 -6.671 -2.127 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.631 -7.985 -1.456 1.00 0.00 C ATOM 0 H LEU A 63 -7.461 -9.175 1.301 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.587 -10.766 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.306 -8.850 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.497 -9.383 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.014 -7.437 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.176 -5.753 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.559 -6.492 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.711 -6.986 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.169 -7.049 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.783 -8.334 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.006 -8.733 -0.758 1.00 0.00 H new ATOM 927 N ILE A 64 -6.445 -12.098 -1.306 1.00 0.00 N ATOM 928 CA ILE A 64 -5.362 -13.072 -1.289 1.00 0.00 C ATOM 929 C ILE A 64 -4.359 -12.799 -2.405 1.00 0.00 C ATOM 930 O ILE A 64 -4.713 -12.803 -3.585 1.00 0.00 O ATOM 931 CB ILE A 64 -5.894 -14.509 -1.433 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.837 -14.846 -0.275 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.740 -15.500 -1.489 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.130 -15.003 1.053 1.00 0.00 C ATOM 0 H ILE A 64 -7.078 -12.185 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.865 -12.973 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.454 -14.581 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.587 -14.060 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.368 -15.769 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.134 -16.511 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.104 -15.270 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.155 -15.429 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.859 -15.241 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.399 -15.808 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.622 -14.073 1.307 1.00 0.00 H new ATOM 946 N ILE A 65 -3.108 -12.565 -2.025 1.00 0.00 N ATOM 947 CA ILE A 65 -2.054 -12.293 -2.995 1.00 0.00 C ATOM 948 C ILE A 65 -0.918 -13.304 -2.869 1.00 0.00 C ATOM 949 O ILE A 65 -0.213 -13.341 -1.861 1.00 0.00 O ATOM 950 CB ILE A 65 -1.483 -10.873 -2.823 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.600 -9.892 -2.462 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.772 -10.431 -4.092 1.00 0.00 C ATOM 953 CD1 ILE A 65 -2.102 -8.496 -2.156 1.00 0.00 C ATOM 0 H ILE A 65 -2.799 -12.558 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.505 -12.377 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.758 -10.884 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.310 -9.843 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.142 -10.274 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.374 -9.426 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.046 -11.118 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.477 -10.432 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.948 -7.854 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.414 -8.532 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.585 -8.095 -3.028 1.00 0.00 H new ATOM 965 N LYS A 66 -0.746 -14.122 -3.902 1.00 0.00 N ATOM 966 CA LYS A 66 0.305 -15.132 -3.911 1.00 0.00 C ATOM 967 C LYS A 66 0.031 -16.212 -2.870 1.00 0.00 C ATOM 968 O LYS A 66 0.914 -16.999 -2.531 1.00 0.00 O ATOM 969 CB LYS A 66 1.667 -14.484 -3.645 1.00 0.00 C ATOM 970 CG LYS A 66 1.961 -13.296 -4.544 1.00 0.00 C ATOM 971 CD LYS A 66 3.267 -13.479 -5.300 1.00 0.00 C ATOM 972 CE LYS A 66 3.121 -14.491 -6.426 1.00 0.00 C ATOM 973 NZ LYS A 66 2.400 -13.918 -7.597 1.00 0.00 N ATOM 0 H LYS A 66 -1.321 -14.105 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 66 0.318 -15.598 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.709 -14.161 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.448 -15.232 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.144 -13.164 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.011 -12.388 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.589 -12.521 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.045 -13.809 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.108 -14.832 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.583 -15.366 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.410 -14.603 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.416 -13.710 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.870 -13.041 -7.899 1.00 0.00 H new ATOM 987 N GLY A 67 -1.198 -16.244 -2.367 1.00 0.00 N ATOM 988 CA GLY A 67 -1.567 -17.232 -1.370 1.00 0.00 C ATOM 989 C GLY A 67 -1.772 -16.623 0.003 1.00 0.00 C ATOM 990 O GLY A 67 -2.575 -17.117 0.795 1.00 0.00 O ATOM 0 H GLY A 67 -1.946 -15.603 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.483 -17.733 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.790 -17.994 -1.313 1.00 0.00 H new ATOM 994 N ILE A 68 -1.045 -15.548 0.286 1.00 0.00 N ATOM 995 CA ILE A 68 -1.151 -14.872 1.573 1.00 0.00 C ATOM 996 C ILE A 68 -2.409 -14.012 1.639 1.00 0.00 C ATOM 997 O ILE A 68 -2.967 -13.630 0.611 1.00 0.00 O ATOM 998 CB ILE A 68 0.078 -13.985 1.846 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.037 -12.733 0.966 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.360 -14.767 1.604 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.220 -11.459 1.740 1.00 0.00 C ATOM 0 H ILE A 68 -0.376 -15.126 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.204 -15.650 2.335 1.00 0.00 H new ATOM 0 HB ILE A 68 0.057 -13.673 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.984 -12.641 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.741 -12.854 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.220 -14.126 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.391 -15.630 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.390 -15.105 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.236 -10.613 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.181 -11.531 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.571 -11.314 2.476 1.00 0.00 H new ATOM 1013 N SER A 69 -2.849 -13.710 2.856 1.00 0.00 N ATOM 1014 CA SER A 69 -4.042 -12.898 3.058 1.00 0.00 C ATOM 1015 C SER A 69 -3.688 -11.564 3.708 1.00 0.00 C ATOM 1016 O SER A 69 -3.038 -11.522 4.752 1.00 0.00 O ATOM 1017 CB SER A 69 -5.055 -13.647 3.926 1.00 0.00 C ATOM 1018 OG SER A 69 -6.328 -13.025 3.877 1.00 0.00 O ATOM 0 H SER A 69 -2.397 -14.016 3.717 1.00 0.00 H new ATOM 0 HA SER A 69 -4.486 -12.701 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.138 -14.679 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.702 -13.679 4.957 1.00 0.00 H new ATOM 0 HG SER A 69 -6.958 -13.524 4.438 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.119 -10.474 3.081 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.850 -9.137 3.598 1.00 0.00 C ATOM 1026 C VAL A 70 -5.143 -8.415 3.956 1.00 0.00 C ATOM 1027 O VAL A 70 -6.150 -8.539 3.258 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.066 -8.289 2.577 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.736 -8.947 2.245 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -3.893 -8.073 1.318 1.00 0.00 C ATOM 0 H VAL A 70 -4.656 -10.490 2.214 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.247 -9.260 4.497 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.861 -7.315 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.197 -8.334 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.142 -9.045 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.915 -9.935 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.325 -7.472 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.131 -9.037 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.817 -7.554 1.574 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.109 -7.658 5.048 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.280 -6.913 5.499 1.00 0.00 C ATOM 1042 C HIS A 71 -6.197 -5.454 5.063 1.00 0.00 C ATOM 1043 O HIS A 71 -5.294 -4.723 5.474 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.408 -6.996 7.021 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.619 -6.300 7.558 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.805 -6.952 7.827 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.826 -5.001 7.879 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.688 -6.084 8.288 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.118 -4.893 8.330 1.00 0.00 N ATOM 0 H HIS A 71 -4.284 -7.544 5.637 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.163 -7.360 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.440 -8.044 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.518 -6.562 7.477 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.108 -4.199 7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.703 -6.310 8.581 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.565 -4.033 8.646 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.141 -5.036 4.227 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.174 -3.664 3.735 1.00 0.00 C ATOM 1059 C ILE A 72 -7.888 -2.745 4.721 1.00 0.00 C ATOM 1060 O ILE A 72 -9.076 -2.912 4.993 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.874 -3.574 2.366 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.270 -4.587 1.393 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.764 -2.163 1.808 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.849 -4.265 0.988 1.00 0.00 C ATOM 0 H ILE A 72 -7.894 -5.628 3.876 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.139 -3.342 3.626 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.930 -3.811 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.293 -5.576 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.892 -4.635 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.263 -2.115 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.237 -1.462 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.713 -1.900 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.486 -5.026 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.821 -3.290 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.214 -4.246 1.873 1.00 0.00 H new ATOM 1076 N SER A 73 -7.154 -1.771 5.250 1.00 0.00 N ATOM 1077 CA SER A 73 -7.715 -0.825 6.206 1.00 0.00 C ATOM 1078 C SER A 73 -7.238 0.594 5.911 1.00 0.00 C ATOM 1079 O SER A 73 -6.051 0.828 5.691 1.00 0.00 O ATOM 1080 CB SER A 73 -7.329 -1.219 7.633 1.00 0.00 C ATOM 1081 OG SER A 73 -8.461 -1.222 8.486 1.00 0.00 O ATOM 0 H SER A 73 -6.169 -1.617 5.032 1.00 0.00 H new ATOM 0 HA SER A 73 -8.801 -0.852 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.870 -2.208 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.583 -0.523 8.016 1.00 0.00 H new ATOM 0 HG SER A 73 -8.188 -1.479 9.391 1.00 0.00 H new ATOM 1087 N ASN A 74 -8.173 1.539 5.909 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.849 2.935 5.641 1.00 0.00 C ATOM 1089 C ASN A 74 -7.602 3.696 6.940 1.00 0.00 C ATOM 1090 O ASN A 74 -8.531 3.964 7.700 1.00 0.00 O ATOM 1091 CB ASN A 74 -8.980 3.601 4.854 1.00 0.00 C ATOM 1092 CG ASN A 74 -8.559 4.922 4.241 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -8.429 5.040 3.022 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -8.342 5.923 5.085 1.00 0.00 N ATOM 0 H ASN A 74 -9.161 1.363 6.090 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.936 2.962 5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.315 2.928 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.831 3.765 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.055 6.836 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.462 5.780 6.088 1.00 0.00 H new ATOM 1101 N ALA A 75 -6.342 4.040 7.186 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.973 4.772 8.391 1.00 0.00 C ATOM 1103 C ALA A 75 -5.035 5.929 8.065 1.00 0.00 C ATOM 1104 O ALA A 75 -4.271 5.867 7.103 1.00 0.00 O ATOM 1105 CB ALA A 75 -5.326 3.834 9.400 1.00 0.00 C ATOM 0 H ALA A 75 -5.560 3.824 6.567 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.882 5.187 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.055 4.394 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.028 3.044 9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.430 3.392 8.964 1.00 0.00 H new ATOM 1111 N GLU A 76 -5.100 6.983 8.872 1.00 0.00 N ATOM 1112 CA GLU A 76 -4.258 8.155 8.667 1.00 0.00 C ATOM 1113 C GLU A 76 -3.749 8.700 9.999 1.00 0.00 C ATOM 1114 O GLU A 76 -4.395 9.521 10.651 1.00 0.00 O ATOM 1115 CB GLU A 76 -5.032 9.243 7.921 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.571 8.792 6.574 1.00 0.00 C ATOM 1117 CD GLU A 76 -7.036 9.134 6.387 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -7.859 8.692 7.216 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -7.360 9.843 5.412 1.00 0.00 O ATOM 0 H GLU A 76 -5.727 7.049 9.674 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.400 7.853 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.863 9.576 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.380 10.104 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.989 9.259 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.438 7.715 6.476 1.00 0.00 H new ATOM 1126 N PRO A 77 -2.563 8.231 10.415 1.00 0.00 N ATOM 1127 CA PRO A 77 -1.941 8.657 11.672 1.00 0.00 C ATOM 1128 C PRO A 77 -1.462 10.104 11.621 1.00 0.00 C ATOM 1129 O PRO A 77 -1.263 10.666 10.544 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.751 7.705 11.819 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.427 7.285 10.426 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.737 7.251 9.690 1.00 0.00 C ATOM 0 HA PRO A 77 -2.641 8.619 12.507 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.097 8.202 12.290 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.005 6.847 12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.266 7.985 9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.053 6.306 10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.616 7.525 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.183 6.257 9.710 1.00 0.00 H new ATOM 1140 N LYS A 78 -1.277 10.703 12.793 1.00 0.00 N ATOM 1141 CA LYS A 78 -0.820 12.084 12.883 1.00 0.00 C ATOM 1142 C LYS A 78 0.698 12.164 12.754 1.00 0.00 C ATOM 1143 O LYS A 78 1.416 11.262 13.185 1.00 0.00 O ATOM 1144 CB LYS A 78 -1.263 12.704 14.210 1.00 0.00 C ATOM 1145 CG LYS A 78 -1.203 11.739 15.382 1.00 0.00 C ATOM 1146 CD LYS A 78 -1.259 12.474 16.711 1.00 0.00 C ATOM 1147 CE LYS A 78 0.135 12.769 17.243 1.00 0.00 C ATOM 1148 NZ LYS A 78 0.583 14.145 16.891 1.00 0.00 N ATOM 0 H LYS A 78 -1.437 10.253 13.694 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.267 12.643 12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.632 13.566 14.427 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.283 13.074 14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.033 11.036 15.319 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.285 11.154 15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.808 13.408 16.589 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.807 11.874 17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.143 12.651 18.327 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.840 12.043 16.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.502 14.098 16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.117 14.588 16.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.677 14.712 17.758 1.00 0.00 H new ATOM 1162 N HIS A 79 1.181 13.252 12.160 1.00 0.00 N ATOM 1163 CA HIS A 79 2.614 13.450 11.977 1.00 0.00 C ATOM 1164 C HIS A 79 3.181 14.354 13.066 1.00 0.00 C ATOM 1165 O HIS A 79 2.670 15.446 13.308 1.00 0.00 O ATOM 1166 CB HIS A 79 2.895 14.054 10.600 1.00 0.00 C ATOM 1167 CG HIS A 79 4.180 13.585 9.991 1.00 0.00 C ATOM 1168 ND1 HIS A 79 4.266 13.082 8.710 1.00 0.00 N ATOM 1169 CD2 HIS A 79 5.435 13.545 10.494 1.00 0.00 C ATOM 1170 CE1 HIS A 79 5.519 12.753 8.451 1.00 0.00 C ATOM 1171 NE2 HIS A 79 6.250 13.024 9.518 1.00 0.00 N ATOM 0 H HIS A 79 0.601 14.009 11.798 1.00 0.00 H new ATOM 0 HA HIS A 79 3.102 12.478 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.073 13.806 9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.919 15.140 10.687 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.740 13.863 11.480 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.884 12.334 7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.255 12.871 9.603 1.00 0.00 H new ATOM 1179 N ASN A 80 4.240 13.889 13.723 1.00 0.00 N ATOM 1180 CA ASN A 80 4.875 14.654 14.789 1.00 0.00 C ATOM 1181 C ASN A 80 6.230 15.193 14.338 1.00 0.00 C ATOM 1182 O ASN A 80 7.053 14.456 13.795 1.00 0.00 O ATOM 1183 CB ASN A 80 5.048 13.785 16.036 1.00 0.00 C ATOM 1184 CG ASN A 80 4.873 14.574 17.319 1.00 0.00 C ATOM 1185 OD1 ASN A 80 4.026 15.464 17.403 1.00 0.00 O ATOM 1186 ND2 ASN A 80 5.675 14.251 18.327 1.00 0.00 N ATOM 0 H ASN A 80 4.676 12.986 13.535 1.00 0.00 H new ATOM 0 HA ASN A 80 4.230 15.499 15.031 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.324 12.971 16.012 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.039 13.331 16.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.603 14.747 19.215 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.363 13.506 18.213 1.00 0.00 H new ATOM 1193 N SER A 81 6.455 16.482 14.570 1.00 0.00 N ATOM 1194 CA SER A 81 7.708 17.121 14.186 1.00 0.00 C ATOM 1195 C SER A 81 7.791 17.288 12.671 1.00 0.00 C ATOM 1196 O SER A 81 7.326 16.436 11.915 1.00 0.00 O ATOM 1197 CB SER A 81 8.898 16.298 14.684 1.00 0.00 C ATOM 1198 OG SER A 81 9.874 17.128 15.289 1.00 0.00 O ATOM 0 H SER A 81 5.786 17.105 15.022 1.00 0.00 H new ATOM 0 HA SER A 81 7.739 18.109 14.646 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.554 15.553 15.402 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.344 15.756 13.850 1.00 0.00 H new ATOM 0 HG SER A 81 10.623 16.578 15.600 1.00 0.00 H new ATOM 1204 N ASN A 82 8.385 18.394 12.236 1.00 0.00 N ATOM 1205 CA ASN A 82 8.528 18.675 10.812 1.00 0.00 C ATOM 1206 C ASN A 82 9.955 18.405 10.345 1.00 0.00 C ATOM 1207 O ASN A 82 10.912 18.592 11.098 1.00 0.00 O ATOM 1208 CB ASN A 82 8.150 20.128 10.518 1.00 0.00 C ATOM 1209 CG ASN A 82 8.474 20.533 9.092 1.00 0.00 C ATOM 1210 OD1 ASN A 82 7.727 20.222 8.163 1.00 0.00 O ATOM 1211 ND2 ASN A 82 9.590 21.228 8.914 1.00 0.00 N ATOM 0 H ASN A 82 8.775 19.110 12.849 1.00 0.00 H new ATOM 0 HA ASN A 82 7.855 18.013 10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.084 20.267 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.679 20.785 11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.860 21.528 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.178 21.463 9.714 1.00 0.00 H new ATOM 1218 N SER A 83 10.091 17.965 9.098 1.00 0.00 N ATOM 1219 CA SER A 83 11.401 17.666 8.531 1.00 0.00 C ATOM 1220 C SER A 83 11.526 18.237 7.122 1.00 0.00 C ATOM 1221 O SER A 83 10.848 17.791 6.197 1.00 0.00 O ATOM 1222 CB SER A 83 11.635 16.154 8.505 1.00 0.00 C ATOM 1223 OG SER A 83 13.004 15.847 8.699 1.00 0.00 O ATOM 0 H SER A 83 9.310 17.808 8.461 1.00 0.00 H new ATOM 0 HA SER A 83 12.158 18.133 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.038 15.677 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.299 15.747 7.551 1.00 0.00 H new ATOM 0 HG SER A 83 13.127 14.875 8.680 1.00 0.00 H new ATOM 1229 N GLY A 84 12.399 19.228 6.967 1.00 0.00 N ATOM 1230 CA GLY A 84 12.599 19.843 5.668 1.00 0.00 C ATOM 1231 C GLY A 84 14.065 20.014 5.326 1.00 0.00 C ATOM 1232 O GLY A 84 14.907 20.230 6.197 1.00 0.00 O ATOM 0 H GLY A 84 12.971 19.616 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.120 19.232 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.109 20.817 5.651 1.00 0.00 H new ATOM 1236 N PRO A 85 14.389 19.915 4.028 1.00 0.00 N ATOM 1237 CA PRO A 85 15.766 20.055 3.543 1.00 0.00 C ATOM 1238 C PRO A 85 16.280 21.486 3.663 1.00 0.00 C ATOM 1239 O PRO A 85 15.511 22.442 3.567 1.00 0.00 O ATOM 1240 CB PRO A 85 15.667 19.644 2.072 1.00 0.00 C ATOM 1241 CG PRO A 85 14.252 19.916 1.697 1.00 0.00 C ATOM 1242 CD PRO A 85 13.438 19.658 2.934 1.00 0.00 C ATOM 0 HA PRO A 85 16.466 19.452 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 85 16.358 20.217 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 85 15.917 18.592 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 85 14.129 20.944 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.934 19.270 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 85 12.573 20.318 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.061 18.636 2.961 1.00 0.00 H new ATOM 1250 N SER A 86 17.585 21.626 3.874 1.00 0.00 N ATOM 1251 CA SER A 86 18.201 22.940 4.010 1.00 0.00 C ATOM 1252 C SER A 86 19.324 23.121 2.994 1.00 0.00 C ATOM 1253 O SER A 86 19.277 24.021 2.154 1.00 0.00 O ATOM 1254 CB SER A 86 18.745 23.127 5.427 1.00 0.00 C ATOM 1255 OG SER A 86 18.519 24.448 5.890 1.00 0.00 O ATOM 0 H SER A 86 18.236 20.845 3.954 1.00 0.00 H new ATOM 0 HA SER A 86 17.437 23.694 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.267 22.416 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.813 22.911 5.441 1.00 0.00 H new ATOM 0 HG SER A 86 18.874 24.541 6.799 1.00 0.00 H new ATOM 1261 N SER A 87 20.334 22.262 3.077 1.00 0.00 N ATOM 1262 CA SER A 87 21.472 22.328 2.169 1.00 0.00 C ATOM 1263 C SER A 87 21.005 22.436 0.720 1.00 0.00 C ATOM 1264 O SER A 87 20.082 21.740 0.300 1.00 0.00 O ATOM 1265 CB SER A 87 22.361 21.094 2.338 1.00 0.00 C ATOM 1266 OG SER A 87 21.747 19.943 1.783 1.00 0.00 O ATOM 0 H SER A 87 20.387 21.511 3.765 1.00 0.00 H new ATOM 0 HA SER A 87 22.049 23.219 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.323 21.266 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 87 22.561 20.928 3.397 1.00 0.00 H new ATOM 0 HG SER A 87 22.336 19.169 1.902 1.00 0.00 H new ATOM 1272 N GLY A 88 21.650 23.317 -0.039 1.00 0.00 N ATOM 1273 CA GLY A 88 21.288 23.501 -1.432 1.00 0.00 C ATOM 1274 C GLY A 88 21.479 24.931 -1.896 1.00 0.00 C ATOM 1275 O GLY A 88 20.913 25.859 -1.318 1.00 0.00 O ATOM 0 H GLY A 88 22.416 23.906 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.891 22.837 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.247 23.212 -1.575 1.00 0.00 H new TER 1279 GLY A 88