USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 762 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 31 SER OG : rot 70:sc= 0.556 USER MOD Set 1.2: A 60 TYR OH : rot 62:sc= 0.0676 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.654 K(o=-1.4,f=1.7) USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= -0.778 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.15 (180deg=0.824) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.865 K(o=0.87,f=-4.1!) USER MOD Single : A 7 LYS NZ :NH3+ 132:sc= -4.7! (180deg=-7.03!) USER MOD Single : A 11 SER OG : rot -83:sc= 0.93 USER MOD Single : A 13 ASN : amide:sc= 0.862 K(o=0.86,f=-1.8!) USER MOD Single : A 16 SER OG : rot 87:sc= 1.24 USER MOD Single : A 17 TYR OH : rot -116:sc= 1.14 USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= -1.32 (180deg=-3.93!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= 1.19 (180deg=0.00614) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 25 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.007) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 41 THR OG1 : rot 19:sc= 0.853 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0459 (180deg=-0.284) USER MOD Single : A 51 MET CE :methyl -160:sc= -0.237 (180deg=-1.05) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00237) USER MOD Single : A 55 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.018) USER MOD Single : A 62 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= 1.13 K(o=1.1,f=-0.085) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= -0.0121 (180deg=-0.189) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0535 K(o=-0.053,f=-2!) USER MOD Single : A 78 THR OG1 : rot 49:sc= 0.0385 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= 0.195 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.0025) USER MOD Single : A 90 HIS : no HD1:sc= -0.289 X(o=-0.29,f=0.05) USER MOD Single : A 91 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.419 13.259 7.410 1.00 0.00 N ATOM 2 CA MET A 1 19.355 12.455 6.169 1.00 0.00 C ATOM 3 C MET A 1 17.917 12.363 5.679 1.00 0.00 C ATOM 4 O MET A 1 16.984 12.287 6.478 1.00 0.00 O ATOM 5 CB MET A 1 19.915 11.050 6.419 1.00 0.00 C ATOM 6 CG MET A 1 19.949 10.178 5.173 1.00 0.00 C ATOM 7 SD MET A 1 20.579 8.517 5.496 1.00 0.00 S ATOM 8 CE MET A 1 20.537 7.812 3.845 1.00 0.00 C ATOM 0 H1 MET A 1 20.345 13.123 7.864 1.00 0.00 H new ATOM 0 H2 MET A 1 19.291 14.265 7.179 1.00 0.00 H new ATOM 0 H3 MET A 1 18.666 12.955 8.060 1.00 0.00 H new ATOM 0 HA MET A 1 19.959 12.943 5.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.925 11.136 6.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.311 10.557 7.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.943 10.106 4.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.572 10.657 4.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.898 6.784 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.514 7.825 3.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.174 8.399 3.183 1.00 0.00 H new ATOM 20 N VAL A 2 17.733 12.383 4.367 1.00 0.00 N ATOM 21 CA VAL A 2 16.404 12.273 3.787 1.00 0.00 C ATOM 22 C VAL A 2 16.010 10.808 3.637 1.00 0.00 C ATOM 23 O VAL A 2 16.391 10.147 2.671 1.00 0.00 O ATOM 24 CB VAL A 2 16.319 12.973 2.411 1.00 0.00 C ATOM 25 CG1 VAL A 2 14.902 12.908 1.857 1.00 0.00 C ATOM 26 CG2 VAL A 2 16.784 14.414 2.519 1.00 0.00 C ATOM 0 H VAL A 2 18.486 12.474 3.685 1.00 0.00 H new ATOM 0 HA VAL A 2 15.712 12.771 4.466 1.00 0.00 H new ATOM 0 HB VAL A 2 16.978 12.448 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.867 13.407 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.605 11.866 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.219 13.405 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.718 14.892 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.151 14.948 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.817 14.438 2.865 1.00 0.00 H new ATOM 36 N LYS A 3 15.284 10.296 4.619 1.00 0.00 N ATOM 37 CA LYS A 3 14.788 8.929 4.571 1.00 0.00 C ATOM 38 C LYS A 3 13.406 8.906 3.929 1.00 0.00 C ATOM 39 O LYS A 3 13.098 8.014 3.136 1.00 0.00 O ATOM 40 CB LYS A 3 14.727 8.340 5.986 1.00 0.00 C ATOM 41 CG LYS A 3 14.317 6.870 6.060 1.00 0.00 C ATOM 42 CD LYS A 3 15.397 5.935 5.528 1.00 0.00 C ATOM 43 CE LYS A 3 15.299 5.743 4.022 1.00 0.00 C ATOM 44 NZ LYS A 3 16.346 4.820 3.512 1.00 0.00 N ATOM 0 H LYS A 3 15.024 10.809 5.462 1.00 0.00 H new ATOM 0 HA LYS A 3 15.467 8.323 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.706 8.452 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.024 8.927 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.094 6.610 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.400 6.723 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.379 6.337 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.313 4.967 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.314 5.350 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.394 6.709 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.245 4.716 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.286 5.207 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.240 3.890 3.966 1.00 0.00 H new ATOM 58 N ASP A 4 12.599 9.917 4.270 1.00 0.00 N ATOM 59 CA ASP A 4 11.233 10.059 3.756 1.00 0.00 C ATOM 60 C ASP A 4 10.316 9.001 4.371 1.00 0.00 C ATOM 61 O ASP A 4 10.449 7.807 4.105 1.00 0.00 O ATOM 62 CB ASP A 4 11.217 9.984 2.226 1.00 0.00 C ATOM 63 CG ASP A 4 9.834 10.150 1.634 1.00 0.00 C ATOM 64 OD1 ASP A 4 9.096 9.151 1.566 1.00 0.00 O ATOM 65 OD2 ASP A 4 9.498 11.273 1.203 1.00 0.00 O ATOM 0 H ASP A 4 12.876 10.661 4.911 1.00 0.00 H new ATOM 0 HA ASP A 4 10.856 11.040 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.872 10.757 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.627 9.024 1.912 1.00 0.00 H new ATOM 70 N LYS A 5 9.391 9.456 5.208 1.00 0.00 N ATOM 71 CA LYS A 5 8.541 8.553 5.981 1.00 0.00 C ATOM 72 C LYS A 5 7.559 7.808 5.089 1.00 0.00 C ATOM 73 O LYS A 5 7.247 6.643 5.334 1.00 0.00 O ATOM 74 CB LYS A 5 7.762 9.325 7.046 1.00 0.00 C ATOM 75 CG LYS A 5 8.636 10.090 8.023 1.00 0.00 C ATOM 76 CD LYS A 5 7.790 10.796 9.066 1.00 0.00 C ATOM 77 CE LYS A 5 8.625 11.676 9.979 1.00 0.00 C ATOM 78 NZ LYS A 5 7.782 12.370 10.990 1.00 0.00 N ATOM 0 H LYS A 5 9.209 10.446 5.370 1.00 0.00 H new ATOM 0 HA LYS A 5 9.198 7.827 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.089 10.026 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.139 8.625 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.327 9.404 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.239 10.820 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.035 11.404 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.259 10.055 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.375 11.068 10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.162 12.414 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.384 12.962 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.082 12.969 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.289 11.665 11.574 1.00 0.00 H new ATOM 92 N GLN A 6 7.084 8.481 4.048 1.00 0.00 N ATOM 93 CA GLN A 6 6.079 7.918 3.161 1.00 0.00 C ATOM 94 C GLN A 6 6.637 6.700 2.432 1.00 0.00 C ATOM 95 O GLN A 6 5.922 5.733 2.176 1.00 0.00 O ATOM 96 CB GLN A 6 5.600 8.972 2.154 1.00 0.00 C ATOM 97 CG GLN A 6 4.818 10.127 2.778 1.00 0.00 C ATOM 98 CD GLN A 6 5.674 11.055 3.628 1.00 0.00 C ATOM 99 OE1 GLN A 6 6.867 11.221 3.383 1.00 0.00 O ATOM 100 NE2 GLN A 6 5.072 11.662 4.634 1.00 0.00 N ATOM 0 H GLN A 6 7.383 9.424 3.798 1.00 0.00 H new ATOM 0 HA GLN A 6 5.226 7.602 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.466 9.376 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.973 8.485 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.347 10.707 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.016 9.720 3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.080 11.500 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.599 12.293 5.238 1.00 0.00 H new ATOM 109 N LYS A 7 7.924 6.755 2.119 1.00 0.00 N ATOM 110 CA LYS A 7 8.618 5.644 1.481 1.00 0.00 C ATOM 111 C LYS A 7 8.635 4.418 2.393 1.00 0.00 C ATOM 112 O LYS A 7 8.514 3.281 1.932 1.00 0.00 O ATOM 113 CB LYS A 7 10.047 6.067 1.138 1.00 0.00 C ATOM 114 CG LYS A 7 10.788 5.095 0.237 1.00 0.00 C ATOM 115 CD LYS A 7 12.200 5.577 -0.077 1.00 0.00 C ATOM 116 CE LYS A 7 12.211 6.826 -0.953 1.00 0.00 C ATOM 117 NZ LYS A 7 11.794 8.053 -0.218 1.00 0.00 N ATOM 0 H LYS A 7 8.515 7.567 2.299 1.00 0.00 H new ATOM 0 HA LYS A 7 8.088 5.377 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.018 7.043 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.610 6.187 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.836 4.118 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.233 4.966 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.724 5.787 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.749 4.780 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.213 6.973 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.545 6.674 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.473 8.818 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.848 8.344 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.770 7.855 0.803 1.00 0.00 H new ATOM 131 N ALA A 8 8.775 4.660 3.689 1.00 0.00 N ATOM 132 CA ALA A 8 8.807 3.585 4.670 1.00 0.00 C ATOM 133 C ALA A 8 7.414 3.006 4.888 1.00 0.00 C ATOM 134 O ALA A 8 7.264 1.812 5.149 1.00 0.00 O ATOM 135 CB ALA A 8 9.392 4.086 5.982 1.00 0.00 C ATOM 0 H ALA A 8 8.869 5.595 4.086 1.00 0.00 H new ATOM 0 HA ALA A 8 9.445 2.789 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.410 3.272 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.407 4.445 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.778 4.901 6.367 1.00 0.00 H new ATOM 141 N ILE A 9 6.401 3.857 4.782 1.00 0.00 N ATOM 142 CA ILE A 9 5.015 3.416 4.895 1.00 0.00 C ATOM 143 C ILE A 9 4.618 2.630 3.649 1.00 0.00 C ATOM 144 O ILE A 9 3.987 1.574 3.741 1.00 0.00 O ATOM 145 CB ILE A 9 4.051 4.611 5.087 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.433 5.401 6.346 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.607 4.125 5.181 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.593 6.643 6.566 1.00 0.00 C ATOM 0 H ILE A 9 6.513 4.857 4.618 1.00 0.00 H new ATOM 0 HA ILE A 9 4.939 2.777 5.775 1.00 0.00 H new ATOM 0 HB ILE A 9 4.136 5.268 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.337 4.750 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.482 5.690 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.944 4.979 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.340 3.599 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.505 3.449 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.922 7.148 7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.707 7.315 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.545 6.360 6.667 1.00 0.00 H new ATOM 160 N PHE A 10 5.020 3.151 2.492 1.00 0.00 N ATOM 161 CA PHE A 10 4.766 2.512 1.205 1.00 0.00 C ATOM 162 C PHE A 10 5.254 1.068 1.211 1.00 0.00 C ATOM 163 O PHE A 10 4.476 0.142 0.989 1.00 0.00 O ATOM 164 CB PHE A 10 5.468 3.297 0.086 1.00 0.00 C ATOM 165 CG PHE A 10 5.279 2.721 -1.295 1.00 0.00 C ATOM 166 CD1 PHE A 10 4.204 3.106 -2.079 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.180 1.800 -1.809 1.00 0.00 C ATOM 168 CE1 PHE A 10 4.029 2.583 -3.346 1.00 0.00 C ATOM 169 CE2 PHE A 10 6.010 1.273 -3.074 1.00 0.00 C ATOM 170 CZ PHE A 10 4.933 1.665 -3.844 1.00 0.00 C ATOM 0 H PHE A 10 5.532 4.030 2.421 1.00 0.00 H new ATOM 0 HA PHE A 10 3.691 2.510 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.099 4.322 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.535 3.341 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.494 3.824 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.025 1.491 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.186 2.892 -3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.718 0.555 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.798 1.255 -4.834 1.00 0.00 H new ATOM 180 N SER A 11 6.538 0.889 1.494 1.00 0.00 N ATOM 181 CA SER A 11 7.157 -0.430 1.468 1.00 0.00 C ATOM 182 C SER A 11 6.543 -1.362 2.512 1.00 0.00 C ATOM 183 O SER A 11 6.201 -2.506 2.206 1.00 0.00 O ATOM 184 CB SER A 11 8.663 -0.291 1.690 1.00 0.00 C ATOM 185 OG SER A 11 8.939 0.636 2.727 1.00 0.00 O ATOM 0 H SER A 11 7.174 1.646 1.746 1.00 0.00 H new ATOM 0 HA SER A 11 6.974 -0.876 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.088 -1.262 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.142 0.037 0.767 1.00 0.00 H new ATOM 0 HG SER A 11 8.918 1.547 2.366 1.00 0.00 H new ATOM 191 N GLU A 12 6.394 -0.861 3.734 1.00 0.00 N ATOM 192 CA GLU A 12 5.845 -1.645 4.836 1.00 0.00 C ATOM 193 C GLU A 12 4.431 -2.135 4.517 1.00 0.00 C ATOM 194 O GLU A 12 4.119 -3.318 4.675 1.00 0.00 O ATOM 195 CB GLU A 12 5.839 -0.804 6.118 1.00 0.00 C ATOM 196 CG GLU A 12 5.359 -1.545 7.355 1.00 0.00 C ATOM 197 CD GLU A 12 6.181 -2.779 7.660 1.00 0.00 C ATOM 198 OE1 GLU A 12 7.409 -2.657 7.848 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.600 -3.880 7.720 1.00 0.00 O ATOM 0 H GLU A 12 6.648 0.094 3.988 1.00 0.00 H new ATOM 0 HA GLU A 12 6.477 -2.521 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.848 -0.435 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.204 0.068 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.393 -0.872 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.317 -1.834 7.218 1.00 0.00 H new ATOM 206 N ASN A 13 3.580 -1.229 4.052 1.00 0.00 N ATOM 207 CA ASN A 13 2.190 -1.573 3.777 1.00 0.00 C ATOM 208 C ASN A 13 2.084 -2.445 2.528 1.00 0.00 C ATOM 209 O ASN A 13 1.315 -3.405 2.499 1.00 0.00 O ATOM 210 CB ASN A 13 1.337 -0.312 3.616 1.00 0.00 C ATOM 211 CG ASN A 13 0.002 -0.429 4.335 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.115 -1.125 5.344 1.00 0.00 O ATOM 213 ND2 ASN A 13 -1.008 0.268 3.841 1.00 0.00 N ATOM 0 H ASN A 13 3.825 -0.258 3.859 1.00 0.00 H new ATOM 0 HA ASN A 13 1.811 -2.139 4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.884 0.547 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.162 -0.126 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.919 0.239 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.875 0.834 3.003 1.00 0.00 H new ATOM 220 N LEU A 14 2.877 -2.120 1.512 1.00 0.00 N ATOM 221 CA LEU A 14 2.897 -2.890 0.269 1.00 0.00 C ATOM 222 C LEU A 14 3.308 -4.334 0.528 1.00 0.00 C ATOM 223 O LEU A 14 2.638 -5.266 0.085 1.00 0.00 O ATOM 224 CB LEU A 14 3.854 -2.256 -0.746 1.00 0.00 C ATOM 225 CG LEU A 14 4.032 -3.029 -2.058 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.729 -3.078 -2.842 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.139 -2.404 -2.898 1.00 0.00 C ATOM 0 H LEU A 14 3.517 -1.326 1.524 1.00 0.00 H new ATOM 0 HA LEU A 14 1.887 -2.881 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.495 -1.254 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.831 -2.142 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 14 4.317 -4.052 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.882 -3.632 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.964 -3.574 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.406 -2.063 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.252 -2.965 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.882 -1.370 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.076 -2.429 -2.342 1.00 0.00 H new ATOM 239 N ASN A 15 4.398 -4.513 1.269 1.00 0.00 N ATOM 240 CA ASN A 15 4.923 -5.843 1.561 1.00 0.00 C ATOM 241 C ASN A 15 3.885 -6.672 2.310 1.00 0.00 C ATOM 242 O ASN A 15 3.762 -7.878 2.093 1.00 0.00 O ATOM 243 CB ASN A 15 6.204 -5.741 2.390 1.00 0.00 C ATOM 244 CG ASN A 15 7.014 -7.023 2.368 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.802 -7.928 3.173 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.967 -7.100 1.452 1.00 0.00 N ATOM 0 H ASN A 15 4.937 -3.750 1.680 1.00 0.00 H new ATOM 0 HA ASN A 15 5.153 -6.336 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.815 -4.923 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.947 -5.495 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.556 -7.931 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.112 -6.328 0.801 1.00 0.00 H new ATOM 253 N SER A 16 3.125 -6.003 3.170 1.00 0.00 N ATOM 254 CA SER A 16 2.070 -6.652 3.933 1.00 0.00 C ATOM 255 C SER A 16 0.999 -7.226 3.000 1.00 0.00 C ATOM 256 O SER A 16 0.552 -8.361 3.177 1.00 0.00 O ATOM 257 CB SER A 16 1.446 -5.656 4.917 1.00 0.00 C ATOM 258 OG SER A 16 2.435 -5.103 5.775 1.00 0.00 O ATOM 0 H SER A 16 3.223 -5.005 3.356 1.00 0.00 H new ATOM 0 HA SER A 16 2.506 -7.477 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.949 -4.857 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.682 -6.156 5.512 1.00 0.00 H new ATOM 0 HG SER A 16 2.840 -4.320 5.346 1.00 0.00 H new ATOM 264 N TYR A 17 0.606 -6.451 1.991 1.00 0.00 N ATOM 265 CA TYR A 17 -0.389 -6.907 1.021 1.00 0.00 C ATOM 266 C TYR A 17 0.159 -8.056 0.180 1.00 0.00 C ATOM 267 O TYR A 17 -0.568 -8.995 -0.147 1.00 0.00 O ATOM 268 CB TYR A 17 -0.846 -5.758 0.115 1.00 0.00 C ATOM 269 CG TYR A 17 -1.834 -4.818 0.773 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.142 -5.223 1.012 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.464 -3.537 1.160 1.00 0.00 C ATOM 272 CE1 TYR A 17 -4.053 -4.376 1.615 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.368 -2.684 1.766 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.661 -3.109 1.991 1.00 0.00 C ATOM 275 OH TYR A 17 -4.566 -2.264 2.594 1.00 0.00 O ATOM 0 H TYR A 17 0.959 -5.509 1.824 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.253 -7.266 1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.027 -5.188 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.299 -6.175 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.452 -6.216 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.453 -3.201 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.067 -4.705 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.064 -1.691 2.061 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.726 -1.489 2.016 1.00 0.00 H new ATOM 285 N ILE A 18 1.443 -7.979 -0.161 1.00 0.00 N ATOM 286 CA ILE A 18 2.109 -9.045 -0.902 1.00 0.00 C ATOM 287 C ILE A 18 2.065 -10.351 -0.107 1.00 0.00 C ATOM 288 O ILE A 18 1.742 -11.412 -0.647 1.00 0.00 O ATOM 289 CB ILE A 18 3.579 -8.678 -1.216 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.638 -7.377 -2.015 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.262 -9.802 -1.984 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.041 -6.830 -2.180 1.00 0.00 C ATOM 0 H ILE A 18 2.044 -7.186 0.065 1.00 0.00 H new ATOM 0 HA ILE A 18 1.578 -9.175 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 18 4.108 -8.537 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.205 -7.546 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.021 -6.628 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.295 -9.524 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.247 -10.713 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.734 -9.975 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.006 -5.906 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.471 -6.629 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.657 -7.561 -2.703 1.00 0.00 H new ATOM 304 N ALA A 19 2.363 -10.253 1.187 1.00 0.00 N ATOM 305 CA ALA A 19 2.333 -11.409 2.077 1.00 0.00 C ATOM 306 C ALA A 19 0.927 -11.997 2.158 1.00 0.00 C ATOM 307 O ALA A 19 0.755 -13.215 2.171 1.00 0.00 O ATOM 308 CB ALA A 19 2.829 -11.028 3.465 1.00 0.00 C ATOM 0 H ALA A 19 2.629 -9.380 1.643 1.00 0.00 H new ATOM 0 HA ALA A 19 2.998 -12.169 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.799 -11.903 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.853 -10.661 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.190 -10.247 3.878 1.00 0.00 H new ATOM 314 N LYS A 20 -0.075 -11.121 2.205 1.00 0.00 N ATOM 315 CA LYS A 20 -1.470 -11.535 2.229 1.00 0.00 C ATOM 316 C LYS A 20 -1.819 -12.353 0.990 1.00 0.00 C ATOM 317 O LYS A 20 -2.564 -13.333 1.066 1.00 0.00 O ATOM 318 CB LYS A 20 -2.373 -10.302 2.296 1.00 0.00 C ATOM 319 CG LYS A 20 -2.332 -9.573 3.628 1.00 0.00 C ATOM 320 CD LYS A 20 -3.134 -8.275 3.597 1.00 0.00 C ATOM 321 CE LYS A 20 -4.643 -8.507 3.529 1.00 0.00 C ATOM 322 NZ LYS A 20 -5.101 -8.980 2.193 1.00 0.00 N ATOM 0 H LYS A 20 0.060 -10.110 2.227 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.627 -12.157 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.083 -9.609 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.400 -10.606 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.726 -10.223 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.297 -9.353 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.902 -7.690 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.824 -7.683 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.926 -9.240 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.159 -7.579 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.007 -8.528 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.392 -8.730 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.224 -10.013 2.214 1.00 0.00 H new ATOM 336 N SER A 21 -1.260 -11.953 -0.145 1.00 0.00 N ATOM 337 CA SER A 21 -1.568 -12.584 -1.417 1.00 0.00 C ATOM 338 C SER A 21 -0.942 -13.978 -1.512 1.00 0.00 C ATOM 339 O SER A 21 -1.406 -14.813 -2.287 1.00 0.00 O ATOM 340 CB SER A 21 -1.082 -11.703 -2.577 1.00 0.00 C ATOM 341 OG SER A 21 -1.555 -12.183 -3.824 1.00 0.00 O ATOM 0 H SER A 21 -0.587 -11.189 -0.208 1.00 0.00 H new ATOM 0 HA SER A 21 -2.650 -12.697 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.424 -10.679 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.008 -11.677 -2.585 1.00 0.00 H new ATOM 0 HG SER A 21 -1.231 -11.601 -4.543 1.00 0.00 H new ATOM 347 N GLU A 22 0.101 -14.224 -0.712 1.00 0.00 N ATOM 348 CA GLU A 22 0.814 -15.504 -0.741 1.00 0.00 C ATOM 349 C GLU A 22 1.351 -15.747 -2.155 1.00 0.00 C ATOM 350 O GLU A 22 1.296 -16.853 -2.695 1.00 0.00 O ATOM 351 CB GLU A 22 -0.129 -16.633 -0.286 1.00 0.00 C ATOM 352 CG GLU A 22 0.529 -17.997 -0.133 1.00 0.00 C ATOM 353 CD GLU A 22 1.688 -17.995 0.837 1.00 0.00 C ATOM 354 OE1 GLU A 22 1.451 -17.883 2.057 1.00 0.00 O ATOM 355 OE2 GLU A 22 2.843 -18.141 0.381 1.00 0.00 O ATOM 0 H GLU A 22 0.469 -13.554 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 22 1.660 -15.483 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.574 -16.352 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.944 -16.718 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.217 -18.717 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.880 -18.335 -1.108 1.00 0.00 H new ATOM 362 N LYS A 23 1.880 -14.686 -2.742 1.00 0.00 N ATOM 363 CA LYS A 23 2.361 -14.717 -4.112 1.00 0.00 C ATOM 364 C LYS A 23 3.839 -14.343 -4.142 1.00 0.00 C ATOM 365 O LYS A 23 4.347 -13.754 -3.186 1.00 0.00 O ATOM 366 CB LYS A 23 1.537 -13.742 -4.959 1.00 0.00 C ATOM 367 CG LYS A 23 1.870 -13.757 -6.440 1.00 0.00 C ATOM 368 CD LYS A 23 1.038 -12.743 -7.208 1.00 0.00 C ATOM 369 CE LYS A 23 -0.443 -13.094 -7.201 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.706 -14.390 -7.879 1.00 0.00 N ATOM 0 H LYS A 23 1.988 -13.781 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 23 2.250 -15.720 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.480 -13.977 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.686 -12.732 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.929 -13.540 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.694 -14.754 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.178 -11.754 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.392 -12.689 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.800 -13.143 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.006 -12.303 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.448 -14.262 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.165 -14.725 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.019 -15.091 -7.178 1.00 0.00 H new ATOM 384 N THR A 24 4.533 -14.694 -5.216 1.00 0.00 N ATOM 385 CA THR A 24 5.943 -14.372 -5.342 1.00 0.00 C ATOM 386 C THR A 24 6.133 -12.994 -5.970 1.00 0.00 C ATOM 387 O THR A 24 5.359 -12.586 -6.840 1.00 0.00 O ATOM 388 CB THR A 24 6.675 -15.433 -6.182 1.00 0.00 C ATOM 389 OG1 THR A 24 5.927 -15.701 -7.373 1.00 0.00 O ATOM 390 CG2 THR A 24 6.860 -16.720 -5.397 1.00 0.00 C ATOM 0 H THR A 24 4.141 -15.201 -6.010 1.00 0.00 H new ATOM 0 HA THR A 24 6.370 -14.362 -4.339 1.00 0.00 H new ATOM 0 HB THR A 24 7.660 -15.045 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.395 -16.376 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.380 -17.452 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.448 -16.519 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.885 -17.115 -5.110 1.00 0.00 H new ATOM 398 N GLN A 25 7.164 -12.284 -5.529 1.00 0.00 N ATOM 399 CA GLN A 25 7.454 -10.947 -6.033 1.00 0.00 C ATOM 400 C GLN A 25 7.743 -10.996 -7.526 1.00 0.00 C ATOM 401 O GLN A 25 7.351 -10.102 -8.280 1.00 0.00 O ATOM 402 CB GLN A 25 8.651 -10.333 -5.296 1.00 0.00 C ATOM 403 CG GLN A 25 8.386 -9.978 -3.835 1.00 0.00 C ATOM 404 CD GLN A 25 8.213 -11.190 -2.941 1.00 0.00 C ATOM 405 OE1 GLN A 25 7.101 -11.666 -2.724 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.315 -11.708 -2.431 1.00 0.00 N ATOM 0 H GLN A 25 7.817 -12.614 -4.819 1.00 0.00 H new ATOM 0 HA GLN A 25 6.578 -10.323 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.486 -11.033 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.962 -9.432 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.213 -9.375 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.489 -9.362 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.220 -11.284 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.262 -12.533 -1.833 1.00 0.00 H new ATOM 415 N LEU A 26 8.426 -12.057 -7.942 1.00 0.00 N ATOM 416 CA LEU A 26 8.758 -12.270 -9.341 1.00 0.00 C ATOM 417 C LEU A 26 7.488 -12.354 -10.186 1.00 0.00 C ATOM 418 O LEU A 26 7.404 -11.752 -11.258 1.00 0.00 O ATOM 419 CB LEU A 26 9.583 -13.553 -9.486 1.00 0.00 C ATOM 420 CG LEU A 26 10.761 -13.463 -10.458 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.647 -14.692 -10.337 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.280 -13.305 -11.894 1.00 0.00 C ATOM 0 H LEU A 26 8.763 -12.790 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 26 9.348 -11.426 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.963 -13.834 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.922 -14.356 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 26 11.343 -12.580 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.480 -14.611 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.033 -14.764 -9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.065 -15.584 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.140 -13.244 -12.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.668 -14.164 -12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.688 -12.394 -11.981 1.00 0.00 H new ATOM 434 N GLU A 27 6.493 -13.082 -9.684 1.00 0.00 N ATOM 435 CA GLU A 27 5.247 -13.260 -10.385 1.00 0.00 C ATOM 436 C GLU A 27 4.517 -11.928 -10.534 1.00 0.00 C ATOM 437 O GLU A 27 3.976 -11.625 -11.599 1.00 0.00 O ATOM 438 CB GLU A 27 4.376 -14.252 -9.626 1.00 0.00 C ATOM 439 CG GLU A 27 3.255 -14.787 -10.468 1.00 0.00 C ATOM 440 CD GLU A 27 2.292 -15.661 -9.701 1.00 0.00 C ATOM 441 OE1 GLU A 27 2.701 -16.748 -9.249 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.111 -15.279 -9.569 1.00 0.00 O ATOM 0 H GLU A 27 6.538 -13.559 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 27 5.455 -13.648 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.992 -15.080 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.963 -13.767 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.707 -13.951 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.674 -15.360 -11.295 1.00 0.00 H new ATOM 449 N ILE A 28 4.517 -11.140 -9.464 1.00 0.00 N ATOM 450 CA ILE A 28 3.867 -9.834 -9.475 1.00 0.00 C ATOM 451 C ILE A 28 4.545 -8.912 -10.481 1.00 0.00 C ATOM 452 O ILE A 28 3.877 -8.245 -11.269 1.00 0.00 O ATOM 453 CB ILE A 28 3.888 -9.170 -8.079 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.287 -10.115 -7.034 1.00 0.00 C ATOM 455 CG2 ILE A 28 3.119 -7.854 -8.109 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.351 -9.583 -5.617 1.00 0.00 C ATOM 0 H ILE A 28 4.960 -11.383 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 28 2.828 -9.994 -9.763 1.00 0.00 H new ATOM 0 HB ILE A 28 4.922 -8.962 -7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.246 -10.311 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.811 -11.070 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.142 -7.397 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.580 -7.180 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.085 -8.043 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.906 -10.308 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.391 -9.414 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.802 -8.644 -5.556 1.00 0.00 H new ATOM 468 N ALA A 29 5.873 -8.901 -10.463 1.00 0.00 N ATOM 469 CA ALA A 29 6.646 -8.073 -11.384 1.00 0.00 C ATOM 470 C ALA A 29 6.311 -8.421 -12.835 1.00 0.00 C ATOM 471 O ALA A 29 6.203 -7.538 -13.689 1.00 0.00 O ATOM 472 CB ALA A 29 8.138 -8.247 -11.128 1.00 0.00 C ATOM 0 H ALA A 29 6.438 -9.456 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 29 6.381 -7.030 -11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.701 -7.624 -11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.369 -7.950 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.413 -9.292 -11.274 1.00 0.00 H new ATOM 478 N LYS A 30 6.129 -9.713 -13.096 1.00 0.00 N ATOM 479 CA LYS A 30 5.751 -10.191 -14.422 1.00 0.00 C ATOM 480 C LYS A 30 4.353 -9.715 -14.807 1.00 0.00 C ATOM 481 O LYS A 30 4.084 -9.440 -15.976 1.00 0.00 O ATOM 482 CB LYS A 30 5.814 -11.719 -14.473 1.00 0.00 C ATOM 483 CG LYS A 30 7.213 -12.269 -14.701 1.00 0.00 C ATOM 484 CD LYS A 30 7.705 -11.948 -16.102 1.00 0.00 C ATOM 485 CE LYS A 30 6.783 -12.539 -17.163 1.00 0.00 C ATOM 486 NZ LYS A 30 7.242 -12.224 -18.539 1.00 0.00 N ATOM 0 H LYS A 30 6.238 -10.452 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 30 6.460 -9.778 -15.139 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.424 -12.121 -13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.160 -12.074 -15.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.898 -11.846 -13.966 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.212 -13.349 -14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.764 -10.867 -16.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.713 -12.340 -16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.732 -13.620 -17.037 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.773 -12.154 -17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.587 -12.645 -19.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.266 -11.192 -18.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.195 -12.614 -18.685 1.00 0.00 H new ATOM 500 N SER A 31 3.469 -9.620 -13.826 1.00 0.00 N ATOM 501 CA SER A 31 2.106 -9.177 -14.074 1.00 0.00 C ATOM 502 C SER A 31 2.057 -7.665 -14.290 1.00 0.00 C ATOM 503 O SER A 31 1.231 -7.165 -15.049 1.00 0.00 O ATOM 504 CB SER A 31 1.202 -9.572 -12.907 1.00 0.00 C ATOM 505 OG SER A 31 1.249 -10.973 -12.674 1.00 0.00 O ATOM 0 H SER A 31 3.671 -9.844 -12.851 1.00 0.00 H new ATOM 0 HA SER A 31 1.748 -9.665 -14.981 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.511 -9.040 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.176 -9.270 -13.119 1.00 0.00 H new ATOM 0 HG SER A 31 2.125 -11.215 -12.308 1.00 0.00 H new ATOM 511 N ILE A 32 2.949 -6.948 -13.619 1.00 0.00 N ATOM 512 CA ILE A 32 3.016 -5.497 -13.741 1.00 0.00 C ATOM 513 C ILE A 32 3.705 -5.099 -15.041 1.00 0.00 C ATOM 514 O ILE A 32 3.248 -4.204 -15.757 1.00 0.00 O ATOM 515 CB ILE A 32 3.764 -4.864 -12.545 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.092 -5.248 -11.222 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.831 -3.348 -12.682 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.624 -4.887 -11.148 1.00 0.00 C ATOM 0 H ILE A 32 3.638 -7.349 -12.983 1.00 0.00 H new ATOM 0 HA ILE A 32 1.992 -5.123 -13.746 1.00 0.00 H new ATOM 0 HB ILE A 32 4.782 -5.253 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.199 -6.322 -11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.618 -4.757 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.362 -2.929 -11.828 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.358 -3.089 -13.600 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.821 -2.941 -12.717 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.223 -5.192 -10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.508 -3.810 -11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.083 -5.399 -11.943 1.00 0.00 H new ATOM 530 N GLY A 33 4.806 -5.773 -15.344 1.00 0.00 N ATOM 531 CA GLY A 33 5.558 -5.467 -16.544 1.00 0.00 C ATOM 532 C GLY A 33 6.882 -4.804 -16.231 1.00 0.00 C ATOM 533 O GLY A 33 7.372 -3.978 -17.003 1.00 0.00 O ATOM 0 H GLY A 33 5.193 -6.528 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.736 -6.385 -17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.967 -4.812 -17.185 1.00 0.00 H new ATOM 537 N VAL A 34 7.460 -5.160 -15.093 1.00 0.00 N ATOM 538 CA VAL A 34 8.727 -4.591 -14.660 1.00 0.00 C ATOM 539 C VAL A 34 9.695 -5.695 -14.263 1.00 0.00 C ATOM 540 O VAL A 34 9.300 -6.853 -14.109 1.00 0.00 O ATOM 541 CB VAL A 34 8.546 -3.624 -13.467 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.752 -2.395 -13.880 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.869 -4.327 -12.295 1.00 0.00 C ATOM 0 H VAL A 34 7.067 -5.846 -14.448 1.00 0.00 H new ATOM 0 HA VAL A 34 9.130 -4.028 -15.502 1.00 0.00 H new ATOM 0 HB VAL A 34 9.536 -3.300 -13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.638 -1.731 -13.023 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.280 -1.872 -14.678 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.768 -2.700 -14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.753 -3.626 -11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.888 -4.688 -12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.481 -5.169 -11.973 1.00 0.00 H new ATOM 553 N SER A 35 10.959 -5.338 -14.100 1.00 0.00 N ATOM 554 CA SER A 35 11.966 -6.293 -13.672 1.00 0.00 C ATOM 555 C SER A 35 11.780 -6.627 -12.191 1.00 0.00 C ATOM 556 O SER A 35 11.331 -5.780 -11.412 1.00 0.00 O ATOM 557 CB SER A 35 13.363 -5.713 -13.911 1.00 0.00 C ATOM 558 OG SER A 35 13.483 -5.201 -15.229 1.00 0.00 O ATOM 0 H SER A 35 11.311 -4.394 -14.258 1.00 0.00 H new ATOM 0 HA SER A 35 11.857 -7.210 -14.252 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.559 -4.920 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.114 -6.486 -13.748 1.00 0.00 H new ATOM 0 HG SER A 35 14.383 -4.835 -15.357 1.00 0.00 H new ATOM 564 N PRO A 36 12.120 -7.860 -11.777 1.00 0.00 N ATOM 565 CA PRO A 36 12.015 -8.276 -10.374 1.00 0.00 C ATOM 566 C PRO A 36 12.853 -7.384 -9.459 1.00 0.00 C ATOM 567 O PRO A 36 12.524 -7.187 -8.291 1.00 0.00 O ATOM 568 CB PRO A 36 12.549 -9.713 -10.371 1.00 0.00 C ATOM 569 CG PRO A 36 12.426 -10.171 -11.785 1.00 0.00 C ATOM 570 CD PRO A 36 12.616 -8.948 -12.637 1.00 0.00 C ATOM 0 HA PRO A 36 10.994 -8.202 -9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.585 -9.749 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.972 -10.348 -9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.176 -10.927 -12.016 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.451 -10.624 -11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.662 -8.803 -12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.053 -9.014 -13.568 1.00 0.00 H new ATOM 578 N GLN A 37 13.926 -6.832 -10.018 1.00 0.00 N ATOM 579 CA GLN A 37 14.782 -5.900 -9.298 1.00 0.00 C ATOM 580 C GLN A 37 14.056 -4.587 -9.039 1.00 0.00 C ATOM 581 O GLN A 37 14.231 -3.964 -7.996 1.00 0.00 O ATOM 582 CB GLN A 37 16.050 -5.623 -10.099 1.00 0.00 C ATOM 583 CG GLN A 37 16.893 -6.857 -10.359 1.00 0.00 C ATOM 584 CD GLN A 37 18.135 -6.551 -11.172 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.157 -7.219 -11.034 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.058 -5.544 -12.031 1.00 0.00 N ATOM 0 H GLN A 37 14.223 -7.018 -10.976 1.00 0.00 H new ATOM 0 HA GLN A 37 15.044 -6.354 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.775 -5.175 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.653 -4.889 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.186 -7.300 -9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.292 -7.599 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.192 -5.012 -12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.865 -5.301 -12.606 1.00 0.00 H new ATOM 595 N THR A 38 13.228 -4.184 -9.992 1.00 0.00 N ATOM 596 CA THR A 38 12.491 -2.936 -9.887 1.00 0.00 C ATOM 597 C THR A 38 11.429 -3.069 -8.809 1.00 0.00 C ATOM 598 O THR A 38 11.156 -2.140 -8.052 1.00 0.00 O ATOM 599 CB THR A 38 11.832 -2.579 -11.235 1.00 0.00 C ATOM 600 OG1 THR A 38 12.785 -2.748 -12.293 1.00 0.00 O ATOM 601 CG2 THR A 38 11.328 -1.145 -11.239 1.00 0.00 C ATOM 0 H THR A 38 13.050 -4.707 -10.850 1.00 0.00 H new ATOM 0 HA THR A 38 13.183 -2.137 -9.622 1.00 0.00 H new ATOM 0 HB THR A 38 10.981 -3.244 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.366 -2.523 -13.150 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.869 -0.923 -12.202 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.590 -1.016 -10.447 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.163 -0.465 -11.070 1.00 0.00 H new ATOM 609 N PHE A 39 10.858 -4.255 -8.729 1.00 0.00 N ATOM 610 CA PHE A 39 9.899 -4.569 -7.694 1.00 0.00 C ATOM 611 C PHE A 39 10.615 -4.680 -6.349 1.00 0.00 C ATOM 612 O PHE A 39 10.079 -4.304 -5.305 1.00 0.00 O ATOM 613 CB PHE A 39 9.197 -5.881 -8.037 1.00 0.00 C ATOM 614 CG PHE A 39 7.951 -6.122 -7.233 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.757 -5.512 -7.581 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.976 -6.951 -6.125 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.613 -5.726 -6.839 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.835 -7.168 -5.378 1.00 0.00 C ATOM 619 CZ PHE A 39 5.652 -6.555 -5.735 1.00 0.00 C ATOM 0 H PHE A 39 11.045 -5.021 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 39 9.153 -3.777 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.942 -5.881 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.889 -6.707 -7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.721 -4.862 -8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.899 -7.434 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.688 -5.246 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.869 -7.817 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.758 -6.723 -5.152 1.00 0.00 H new ATOM 629 N ASN A 40 11.844 -5.183 -6.393 1.00 0.00 N ATOM 630 CA ASN A 40 12.667 -5.337 -5.200 1.00 0.00 C ATOM 631 C ASN A 40 12.982 -3.982 -4.573 1.00 0.00 C ATOM 632 O ASN A 40 12.944 -3.837 -3.354 1.00 0.00 O ATOM 633 CB ASN A 40 13.968 -6.070 -5.541 1.00 0.00 C ATOM 634 CG ASN A 40 14.880 -6.241 -4.338 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.718 -5.387 -4.052 1.00 0.00 O ATOM 636 ND2 ASN A 40 14.734 -7.352 -3.631 1.00 0.00 N ATOM 0 H ASN A 40 12.296 -5.494 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 40 12.104 -5.928 -4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.730 -7.051 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.498 -5.518 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.328 -7.522 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.028 -8.038 -3.899 1.00 0.00 H new ATOM 643 N THR A 41 13.276 -2.986 -5.408 1.00 0.00 N ATOM 644 CA THR A 41 13.589 -1.650 -4.912 1.00 0.00 C ATOM 645 C THR A 41 12.384 -1.004 -4.226 1.00 0.00 C ATOM 646 O THR A 41 12.537 -0.108 -3.394 1.00 0.00 O ATOM 647 CB THR A 41 14.116 -0.729 -6.034 1.00 0.00 C ATOM 648 OG1 THR A 41 13.357 -0.910 -7.236 1.00 0.00 O ATOM 649 CG2 THR A 41 15.587 -1.003 -6.311 1.00 0.00 C ATOM 0 H THR A 41 13.304 -3.079 -6.423 1.00 0.00 H new ATOM 0 HA THR A 41 14.380 -1.773 -4.172 1.00 0.00 H new ATOM 0 HB THR A 41 14.007 0.302 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.500 -1.334 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.937 -0.343 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.167 -0.822 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.712 -2.041 -6.621 1.00 0.00 H new ATOM 657 N TRP A 42 11.188 -1.468 -4.569 1.00 0.00 N ATOM 658 CA TRP A 42 9.975 -1.003 -3.910 1.00 0.00 C ATOM 659 C TRP A 42 9.760 -1.782 -2.613 1.00 0.00 C ATOM 660 O TRP A 42 9.343 -1.225 -1.599 1.00 0.00 O ATOM 661 CB TRP A 42 8.763 -1.170 -4.830 1.00 0.00 C ATOM 662 CG TRP A 42 8.912 -0.484 -6.155 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.694 0.598 -6.438 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.251 -0.831 -7.377 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.563 0.941 -7.761 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.682 0.078 -8.357 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.337 -1.830 -7.735 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.227 0.025 -9.675 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.888 -1.883 -9.042 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.335 -0.964 -9.998 1.00 0.00 C ATOM 0 H TRP A 42 11.033 -2.164 -5.298 1.00 0.00 H new ATOM 0 HA TRP A 42 10.088 0.056 -3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.590 -2.233 -4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.879 -0.779 -4.326 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.324 1.110 -5.725 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.043 1.712 -8.224 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.989 -2.545 -7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.565 0.737 -10.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.180 -2.647 -9.330 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.969 -1.036 -11.012 1.00 0.00 H new ATOM 681 N CYS A 43 10.075 -3.073 -2.660 1.00 0.00 N ATOM 682 CA CYS A 43 9.971 -3.955 -1.501 1.00 0.00 C ATOM 683 C CYS A 43 10.951 -3.534 -0.410 1.00 0.00 C ATOM 684 O CYS A 43 10.640 -3.591 0.782 1.00 0.00 O ATOM 685 CB CYS A 43 10.239 -5.402 -1.935 1.00 0.00 C ATOM 686 SG CYS A 43 10.144 -6.619 -0.604 1.00 0.00 S ATOM 0 H CYS A 43 10.410 -3.538 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 43 8.964 -3.883 -1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.521 -5.674 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.230 -5.454 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 43 10.384 -7.804 -1.082 1.00 0.00 H new ATOM 692 N LYS A 44 12.130 -3.096 -0.829 1.00 0.00 N ATOM 693 CA LYS A 44 13.155 -2.628 0.090 1.00 0.00 C ATOM 694 C LYS A 44 12.895 -1.191 0.521 1.00 0.00 C ATOM 695 O LYS A 44 13.608 -0.654 1.367 1.00 0.00 O ATOM 696 CB LYS A 44 14.530 -2.728 -0.567 1.00 0.00 C ATOM 697 CG LYS A 44 15.256 -4.032 -0.295 1.00 0.00 C ATOM 698 CD LYS A 44 15.715 -4.115 1.150 1.00 0.00 C ATOM 699 CE LYS A 44 16.511 -5.381 1.409 1.00 0.00 C ATOM 700 NZ LYS A 44 17.762 -5.431 0.601 1.00 0.00 N ATOM 0 H LYS A 44 12.401 -3.056 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 44 13.127 -3.261 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.415 -2.607 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.148 -1.901 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.597 -4.871 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.117 -4.117 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.326 -3.245 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.848 -4.087 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.761 -5.441 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.895 -6.250 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.400 -6.153 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.530 -5.671 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.231 -4.503 0.630 1.00 0.00 H new ATOM 714 N GLY A 45 11.871 -0.576 -0.060 1.00 0.00 N ATOM 715 CA GLY A 45 11.579 0.817 0.224 1.00 0.00 C ATOM 716 C GLY A 45 12.740 1.726 -0.124 1.00 0.00 C ATOM 717 O GLY A 45 13.100 2.614 0.650 1.00 0.00 O ATOM 0 H GLY A 45 11.236 -1.019 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.698 1.124 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.337 0.928 1.281 1.00 0.00 H new ATOM 721 N ILE A 46 13.333 1.495 -1.286 1.00 0.00 N ATOM 722 CA ILE A 46 14.466 2.286 -1.735 1.00 0.00 C ATOM 723 C ILE A 46 13.984 3.499 -2.521 1.00 0.00 C ATOM 724 O ILE A 46 14.498 4.605 -2.359 1.00 0.00 O ATOM 725 CB ILE A 46 15.431 1.454 -2.610 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.954 0.248 -1.825 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.588 2.315 -3.100 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.883 -0.643 -2.618 1.00 0.00 C ATOM 0 H ILE A 46 13.046 0.763 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 46 15.007 2.615 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 46 14.883 1.091 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.477 0.604 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.106 -0.344 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.256 1.711 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.200 3.143 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.137 2.707 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.211 -1.474 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.358 -1.030 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.751 -0.068 -2.941 1.00 0.00 H new ATOM 740 N ALA A 47 12.977 3.289 -3.357 1.00 0.00 N ATOM 741 CA ALA A 47 12.433 4.359 -4.180 1.00 0.00 C ATOM 742 C ALA A 47 10.936 4.175 -4.374 1.00 0.00 C ATOM 743 O ALA A 47 10.438 3.047 -4.388 1.00 0.00 O ATOM 744 CB ALA A 47 13.141 4.411 -5.529 1.00 0.00 C ATOM 0 H ALA A 47 12.520 2.386 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 47 12.601 5.305 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.720 5.217 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.205 4.591 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.005 3.462 -6.048 1.00 0.00 H new ATOM 750 N ILE A 48 10.223 5.283 -4.501 1.00 0.00 N ATOM 751 CA ILE A 48 8.795 5.240 -4.765 1.00 0.00 C ATOM 752 C ILE A 48 8.531 5.369 -6.262 1.00 0.00 C ATOM 753 O ILE A 48 8.993 6.314 -6.911 1.00 0.00 O ATOM 754 CB ILE A 48 8.037 6.348 -3.997 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.190 6.144 -2.487 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.562 6.362 -4.384 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.616 7.275 -1.658 1.00 0.00 C ATOM 0 H ILE A 48 10.611 6.223 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 48 8.424 4.277 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 48 8.469 7.311 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.700 5.213 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.248 6.032 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.048 7.149 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.468 6.549 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.114 5.398 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.761 7.060 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.123 8.206 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.550 7.374 -1.865 1.00 0.00 H new ATOM 769 N PRO A 49 7.804 4.399 -6.826 1.00 0.00 N ATOM 770 CA PRO A 49 7.454 4.391 -8.245 1.00 0.00 C ATOM 771 C PRO A 49 6.487 5.514 -8.601 1.00 0.00 C ATOM 772 O PRO A 49 5.754 6.013 -7.746 1.00 0.00 O ATOM 773 CB PRO A 49 6.781 3.030 -8.435 1.00 0.00 C ATOM 774 CG PRO A 49 6.258 2.679 -7.086 1.00 0.00 C ATOM 775 CD PRO A 49 7.254 3.235 -6.111 1.00 0.00 C ATOM 0 HA PRO A 49 8.324 4.544 -8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.978 3.084 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.490 2.283 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.269 3.109 -6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.159 1.599 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.781 3.524 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.029 2.508 -5.867 1.00 0.00 H new ATOM 783 N ARG A 50 6.497 5.910 -9.863 1.00 0.00 N ATOM 784 CA ARG A 50 5.591 6.939 -10.349 1.00 0.00 C ATOM 785 C ARG A 50 4.156 6.412 -10.312 1.00 0.00 C ATOM 786 O ARG A 50 3.935 5.204 -10.435 1.00 0.00 O ATOM 787 CB ARG A 50 5.991 7.349 -11.768 1.00 0.00 C ATOM 788 CG ARG A 50 5.322 8.621 -12.263 1.00 0.00 C ATOM 789 CD ARG A 50 5.939 9.088 -13.569 1.00 0.00 C ATOM 790 NE ARG A 50 5.409 10.381 -13.998 1.00 0.00 N ATOM 791 CZ ARG A 50 6.146 11.487 -14.099 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.414 11.483 -13.708 1.00 0.00 N ATOM 793 NH2 ARG A 50 5.603 12.606 -14.563 1.00 0.00 N ATOM 0 H ARG A 50 7.125 5.533 -10.573 1.00 0.00 H new ATOM 0 HA ARG A 50 5.652 7.820 -9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.072 7.483 -11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.748 6.535 -12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.256 8.444 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.419 9.404 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.020 9.161 -13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.751 8.345 -14.344 1.00 0.00 H new ATOM 0 HE ARG A 50 4.418 10.440 -14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.828 10.632 -13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.975 12.331 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.622 12.619 -14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.167 13.453 -14.640 1.00 0.00 H new ATOM 807 N MET A 51 3.192 7.315 -10.135 1.00 0.00 N ATOM 808 CA MET A 51 1.789 6.938 -9.938 1.00 0.00 C ATOM 809 C MET A 51 1.281 5.983 -11.016 1.00 0.00 C ATOM 810 O MET A 51 0.459 5.116 -10.730 1.00 0.00 O ATOM 811 CB MET A 51 0.900 8.182 -9.896 1.00 0.00 C ATOM 812 CG MET A 51 -0.541 7.884 -9.512 1.00 0.00 C ATOM 813 SD MET A 51 -1.563 9.367 -9.440 1.00 0.00 S ATOM 814 CE MET A 51 -0.656 10.338 -8.238 1.00 0.00 C ATOM 0 H MET A 51 3.357 8.321 -10.124 1.00 0.00 H new ATOM 0 HA MET A 51 1.738 6.415 -8.983 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.318 8.894 -9.184 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.915 8.663 -10.874 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.968 7.188 -10.234 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.559 7.388 -8.542 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.311 11.101 -7.818 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.299 9.687 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.194 10.817 -8.724 1.00 0.00 H new ATOM 824 N GLY A 52 1.773 6.137 -12.241 1.00 0.00 N ATOM 825 CA GLY A 52 1.356 5.266 -13.329 1.00 0.00 C ATOM 826 C GLY A 52 1.653 3.805 -13.045 1.00 0.00 C ATOM 827 O GLY A 52 0.864 2.925 -13.390 1.00 0.00 O ATOM 0 H GLY A 52 2.454 6.850 -12.502 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.287 5.390 -13.501 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.863 5.566 -14.246 1.00 0.00 H new ATOM 831 N LYS A 53 2.785 3.542 -12.405 1.00 0.00 N ATOM 832 CA LYS A 53 3.154 2.181 -12.030 1.00 0.00 C ATOM 833 C LYS A 53 2.426 1.762 -10.760 1.00 0.00 C ATOM 834 O LYS A 53 2.143 0.582 -10.553 1.00 0.00 O ATOM 835 CB LYS A 53 4.672 2.061 -11.852 1.00 0.00 C ATOM 836 CG LYS A 53 5.362 1.381 -13.027 1.00 0.00 C ATOM 837 CD LYS A 53 4.931 1.977 -14.359 1.00 0.00 C ATOM 838 CE LYS A 53 5.489 1.189 -15.534 1.00 0.00 C ATOM 839 NZ LYS A 53 6.965 1.321 -15.649 1.00 0.00 N ATOM 0 H LYS A 53 3.465 4.253 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 53 2.853 1.509 -12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.095 3.056 -11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.881 1.499 -10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.442 1.477 -12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.134 0.315 -13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.843 1.993 -14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.269 3.012 -14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.228 0.137 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.022 1.535 -16.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.299 0.781 -16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.216 2.323 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.415 0.951 -14.788 1.00 0.00 H new ATOM 853 N VAL A 54 2.111 2.742 -9.920 1.00 0.00 N ATOM 854 CA VAL A 54 1.321 2.497 -8.718 1.00 0.00 C ATOM 855 C VAL A 54 -0.080 2.016 -9.100 1.00 0.00 C ATOM 856 O VAL A 54 -0.673 1.185 -8.414 1.00 0.00 O ATOM 857 CB VAL A 54 1.219 3.765 -7.835 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.389 3.502 -6.584 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.608 4.259 -7.454 1.00 0.00 C ATOM 0 H VAL A 54 2.391 3.714 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 54 1.827 1.724 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 54 0.716 4.538 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.336 4.411 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.617 3.198 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.854 2.708 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.519 5.151 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.131 3.481 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.169 4.500 -8.357 1.00 0.00 H new ATOM 869 N GLN A 55 -0.588 2.543 -10.218 1.00 0.00 N ATOM 870 CA GLN A 55 -1.886 2.133 -10.755 1.00 0.00 C ATOM 871 C GLN A 55 -1.928 0.625 -10.955 1.00 0.00 C ATOM 872 O GLN A 55 -2.867 -0.040 -10.527 1.00 0.00 O ATOM 873 CB GLN A 55 -2.160 2.825 -12.095 1.00 0.00 C ATOM 874 CG GLN A 55 -2.184 4.341 -12.017 1.00 0.00 C ATOM 875 CD GLN A 55 -3.335 4.871 -11.187 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.419 5.130 -11.708 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.112 5.039 -9.892 1.00 0.00 N ATOM 0 H GLN A 55 -0.116 3.259 -10.770 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.652 2.425 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.397 2.521 -12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.117 2.477 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.244 4.693 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.251 4.751 -13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.199 4.812 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.854 5.395 -9.289 1.00 0.00 H new ATOM 886 N ALA A 56 -0.888 0.093 -11.592 1.00 0.00 N ATOM 887 CA ALA A 56 -0.804 -1.333 -11.876 1.00 0.00 C ATOM 888 C ALA A 56 -0.749 -2.145 -10.586 1.00 0.00 C ATOM 889 O ALA A 56 -1.399 -3.183 -10.467 1.00 0.00 O ATOM 890 CB ALA A 56 0.408 -1.628 -12.747 1.00 0.00 C ATOM 0 H ALA A 56 -0.088 0.634 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.703 -1.626 -12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.458 -2.698 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.322 -1.083 -13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.314 -1.315 -12.228 1.00 0.00 H new ATOM 896 N LEU A 57 0.016 -1.653 -9.620 1.00 0.00 N ATOM 897 CA LEU A 57 0.128 -2.309 -8.325 1.00 0.00 C ATOM 898 C LEU A 57 -1.222 -2.344 -7.618 1.00 0.00 C ATOM 899 O LEU A 57 -1.676 -3.399 -7.175 1.00 0.00 O ATOM 900 CB LEU A 57 1.153 -1.582 -7.451 1.00 0.00 C ATOM 901 CG LEU A 57 2.589 -1.587 -7.979 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.490 -0.759 -7.072 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.110 -3.011 -8.093 1.00 0.00 C ATOM 0 H LEU A 57 0.569 -0.800 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 57 0.461 -3.334 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.832 -0.547 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.147 -2.036 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 57 2.594 -1.140 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.508 -0.772 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.127 0.268 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.480 -1.180 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.133 -2.995 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.092 -3.485 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.479 -3.575 -8.779 1.00 0.00 H new ATOM 915 N ALA A 58 -1.867 -1.186 -7.535 1.00 0.00 N ATOM 916 CA ALA A 58 -3.161 -1.072 -6.882 1.00 0.00 C ATOM 917 C ALA A 58 -4.209 -1.914 -7.594 1.00 0.00 C ATOM 918 O ALA A 58 -5.044 -2.550 -6.957 1.00 0.00 O ATOM 919 CB ALA A 58 -3.601 0.383 -6.821 1.00 0.00 C ATOM 0 H ALA A 58 -1.510 -0.309 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.059 -1.449 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.571 0.449 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.868 0.961 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.679 0.782 -7.832 1.00 0.00 H new ATOM 925 N ASP A 59 -4.145 -1.931 -8.918 1.00 0.00 N ATOM 926 CA ASP A 59 -5.090 -2.691 -9.727 1.00 0.00 C ATOM 927 C ASP A 59 -4.920 -4.183 -9.503 1.00 0.00 C ATOM 928 O ASP A 59 -5.897 -4.910 -9.349 1.00 0.00 O ATOM 929 CB ASP A 59 -4.901 -2.378 -11.209 1.00 0.00 C ATOM 930 CG ASP A 59 -5.799 -3.219 -12.092 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.990 -2.876 -12.242 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.316 -4.233 -12.645 1.00 0.00 O ATOM 0 H ASP A 59 -3.444 -1.424 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.095 -2.400 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.108 -1.322 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.860 -2.549 -11.485 1.00 0.00 H new ATOM 937 N TYR A 60 -3.673 -4.627 -9.475 1.00 0.00 N ATOM 938 CA TYR A 60 -3.360 -6.043 -9.318 1.00 0.00 C ATOM 939 C TYR A 60 -3.873 -6.571 -7.980 1.00 0.00 C ATOM 940 O TYR A 60 -4.371 -7.694 -7.894 1.00 0.00 O ATOM 941 CB TYR A 60 -1.851 -6.260 -9.422 1.00 0.00 C ATOM 942 CG TYR A 60 -1.448 -7.709 -9.575 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.838 -8.438 -10.689 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.670 -8.342 -8.615 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.464 -9.756 -10.845 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.292 -9.662 -8.763 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.692 -10.365 -9.881 1.00 0.00 C ATOM 948 OH TYR A 60 -0.312 -11.678 -10.036 1.00 0.00 O ATOM 0 H TYR A 60 -2.855 -4.024 -9.559 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.858 -6.593 -10.116 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.471 -5.696 -10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.373 -5.853 -8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.445 -7.965 -11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.356 -7.794 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.775 -10.308 -11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.313 -10.141 -8.008 1.00 0.00 H new ATOM 0 HH TYR A 60 0.245 -11.765 -10.838 1.00 0.00 H new ATOM 958 N PHE A 61 -3.770 -5.748 -6.943 1.00 0.00 N ATOM 959 CA PHE A 61 -4.229 -6.136 -5.616 1.00 0.00 C ATOM 960 C PHE A 61 -5.681 -5.721 -5.395 1.00 0.00 C ATOM 961 O PHE A 61 -6.270 -6.025 -4.357 1.00 0.00 O ATOM 962 CB PHE A 61 -3.343 -5.508 -4.538 1.00 0.00 C ATOM 963 CG PHE A 61 -1.971 -6.115 -4.440 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.761 -7.261 -3.690 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.891 -5.536 -5.087 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.500 -7.820 -3.589 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.372 -6.088 -4.987 1.00 0.00 C ATOM 968 CZ PHE A 61 0.568 -7.231 -4.238 1.00 0.00 C ATOM 0 H PHE A 61 -3.373 -4.810 -6.996 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.163 -7.222 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.243 -4.442 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.841 -5.604 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.592 -7.723 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.038 -4.643 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.350 -8.715 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.205 -5.625 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.554 -7.664 -4.160 1.00 0.00 H new ATOM 978 N ASN A 62 -6.247 -5.030 -6.384 1.00 0.00 N ATOM 979 CA ASN A 62 -7.613 -4.514 -6.316 1.00 0.00 C ATOM 980 C ASN A 62 -7.798 -3.585 -5.118 1.00 0.00 C ATOM 981 O ASN A 62 -8.862 -3.549 -4.502 1.00 0.00 O ATOM 982 CB ASN A 62 -8.632 -5.658 -6.260 1.00 0.00 C ATOM 983 CG ASN A 62 -8.706 -6.447 -7.555 1.00 0.00 C ATOM 984 OD1 ASN A 62 -8.429 -5.924 -8.636 1.00 0.00 O ATOM 985 ND2 ASN A 62 -9.103 -7.708 -7.462 1.00 0.00 N ATOM 0 H ASN A 62 -5.769 -4.812 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.787 -3.938 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.370 -6.332 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.617 -5.250 -6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.188 -8.279 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.324 -8.107 -6.550 1.00 0.00 H new ATOM 992 N ILE A 63 -6.762 -2.818 -4.811 1.00 0.00 N ATOM 993 CA ILE A 63 -6.803 -1.881 -3.698 1.00 0.00 C ATOM 994 C ILE A 63 -6.742 -0.446 -4.212 1.00 0.00 C ATOM 995 O ILE A 63 -6.721 -0.211 -5.423 1.00 0.00 O ATOM 996 CB ILE A 63 -5.644 -2.113 -2.706 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.295 -2.013 -3.428 1.00 0.00 C ATOM 998 CG2 ILE A 63 -5.794 -3.463 -2.019 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.099 -2.144 -2.508 1.00 0.00 C ATOM 0 H ILE A 63 -5.878 -2.827 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.743 -2.049 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.679 -1.338 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.243 -2.791 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.240 -1.055 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.968 -3.611 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.738 -3.491 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.784 -4.255 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.181 -2.063 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.126 -1.351 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.128 -3.113 -2.009 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.711 0.507 -3.294 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.621 1.911 -3.661 1.00 0.00 C ATOM 1013 C ASN A 64 -5.153 2.315 -3.689 1.00 0.00 C ATOM 1014 O ASN A 64 -4.338 1.730 -2.976 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.371 2.792 -2.651 1.00 0.00 C ATOM 1016 CG ASN A 64 -8.710 2.213 -2.228 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -9.742 2.456 -2.856 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -8.704 1.452 -1.144 1.00 0.00 N ATOM 0 H ASN A 64 -6.747 0.334 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.076 2.050 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.748 2.931 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.531 3.778 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.574 1.044 -0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.829 1.274 -0.651 1.00 0.00 H new ATOM 1025 N LYS A 65 -4.806 3.306 -4.501 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.428 3.783 -4.545 1.00 0.00 C ATOM 1027 C LYS A 65 -3.046 4.405 -3.206 1.00 0.00 C ATOM 1028 O LYS A 65 -1.890 4.349 -2.786 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.216 4.785 -5.689 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.041 6.058 -5.577 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.641 7.062 -6.647 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.490 8.325 -6.589 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.926 8.049 -6.858 1.00 0.00 N ATOM 0 H LYS A 65 -5.448 3.789 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.780 2.928 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.160 5.054 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.455 4.295 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.100 5.819 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.904 6.499 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.591 7.325 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.741 6.603 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.388 8.784 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.117 9.045 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.429 8.946 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.012 7.456 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.342 7.552 -6.045 1.00 0.00 H new ATOM 1047 N SER A 66 -4.037 4.968 -2.526 1.00 0.00 N ATOM 1048 CA SER A 66 -3.827 5.607 -1.236 1.00 0.00 C ATOM 1049 C SER A 66 -3.425 4.595 -0.164 1.00 0.00 C ATOM 1050 O SER A 66 -2.865 4.973 0.857 1.00 0.00 O ATOM 1051 CB SER A 66 -5.096 6.345 -0.815 1.00 0.00 C ATOM 1052 OG SER A 66 -5.538 7.216 -1.847 1.00 0.00 O ATOM 0 H SER A 66 -5.003 4.994 -2.852 1.00 0.00 H new ATOM 0 HA SER A 66 -3.008 6.318 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.880 5.625 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.905 6.917 0.093 1.00 0.00 H new ATOM 0 HG SER A 66 -6.353 7.678 -1.559 1.00 0.00 H new ATOM 1058 N ASP A 67 -3.696 3.311 -0.408 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.283 2.253 0.519 1.00 0.00 C ATOM 1060 C ASP A 67 -1.765 2.198 0.622 1.00 0.00 C ATOM 1061 O ASP A 67 -1.207 1.832 1.654 1.00 0.00 O ATOM 1062 CB ASP A 67 -3.813 0.884 0.069 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.256 0.644 0.469 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.168 0.987 -0.311 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -5.487 0.091 1.567 1.00 0.00 O ATOM 0 H ASP A 67 -4.196 2.979 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.705 2.488 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.725 0.805 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.188 0.100 0.498 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.101 2.571 -0.456 1.00 0.00 N ATOM 1071 CA LEU A 68 0.352 2.558 -0.501 1.00 0.00 C ATOM 1072 C LEU A 68 0.919 3.923 -0.116 1.00 0.00 C ATOM 1073 O LEU A 68 2.079 4.041 0.263 1.00 0.00 O ATOM 1074 CB LEU A 68 0.823 2.167 -1.904 1.00 0.00 C ATOM 1075 CG LEU A 68 0.304 0.821 -2.416 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.832 0.542 -3.815 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.690 -0.301 -1.462 1.00 0.00 C ATOM 0 H LEU A 68 -1.546 2.889 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 68 0.716 1.824 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.516 2.946 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.913 2.144 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.784 0.869 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.452 -0.419 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.501 1.329 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.921 0.516 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.312 -1.249 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.776 -0.350 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.259 -0.108 -0.480 1.00 0.00 H new ATOM 1089 N ILE A 69 0.084 4.947 -0.214 1.00 0.00 N ATOM 1090 CA ILE A 69 0.519 6.325 -0.006 1.00 0.00 C ATOM 1091 C ILE A 69 0.046 6.857 1.359 1.00 0.00 C ATOM 1092 O ILE A 69 0.153 8.054 1.643 1.00 0.00 O ATOM 1093 CB ILE A 69 0.011 7.241 -1.155 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.274 6.570 -2.506 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.699 8.604 -1.114 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -0.231 7.362 -3.693 1.00 0.00 C ATOM 0 H ILE A 69 -0.906 4.851 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 69 1.609 6.336 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.060 7.393 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.346 6.410 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.197 5.587 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.325 9.225 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.488 9.090 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.775 8.472 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.007 6.822 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.309 7.500 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.259 8.335 -3.716 1.00 0.00 H new ATOM 1108 N GLU A 70 -0.515 5.970 2.188 1.00 0.00 N ATOM 1109 CA GLU A 70 -0.991 6.345 3.515 1.00 0.00 C ATOM 1110 C GLU A 70 0.046 7.153 4.301 1.00 0.00 C ATOM 1111 O GLU A 70 1.257 7.000 4.126 1.00 0.00 O ATOM 1112 CB GLU A 70 -1.365 5.113 4.339 1.00 0.00 C ATOM 1113 CG GLU A 70 -2.604 4.378 3.860 1.00 0.00 C ATOM 1114 CD GLU A 70 -3.196 3.479 4.931 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -2.683 2.357 5.133 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -4.174 3.895 5.590 1.00 0.00 O ATOM 0 H GLU A 70 -0.649 4.985 1.958 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.871 6.966 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.524 4.420 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.518 5.419 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.354 5.103 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.352 3.778 2.985 1.00 0.00 H new ATOM 1123 N ASP A 71 -0.460 8.010 5.170 1.00 0.00 N ATOM 1124 CA ASP A 71 0.369 8.854 6.020 1.00 0.00 C ATOM 1125 C ASP A 71 -0.280 8.969 7.394 1.00 0.00 C ATOM 1126 O ASP A 71 -1.499 9.135 7.493 1.00 0.00 O ATOM 1127 CB ASP A 71 0.516 10.242 5.389 1.00 0.00 C ATOM 1128 CG ASP A 71 1.593 11.085 6.047 1.00 0.00 C ATOM 1129 OD1 ASP A 71 1.523 11.308 7.268 1.00 0.00 O ATOM 1130 OD2 ASP A 71 2.524 11.517 5.343 1.00 0.00 O ATOM 0 H ASP A 71 -1.462 8.143 5.308 1.00 0.00 H new ATOM 0 HA ASP A 71 1.359 8.411 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.747 10.130 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.437 10.766 5.453 1.00 0.00 H new ATOM 1135 N LYS A 72 0.517 8.872 8.451 1.00 0.00 N ATOM 1136 CA LYS A 72 -0.023 8.901 9.805 1.00 0.00 C ATOM 1137 C LYS A 72 0.380 10.157 10.563 1.00 0.00 C ATOM 1138 O LYS A 72 0.255 10.216 11.787 1.00 0.00 O ATOM 1139 CB LYS A 72 0.388 7.653 10.584 1.00 0.00 C ATOM 1140 CG LYS A 72 -0.449 6.434 10.239 1.00 0.00 C ATOM 1141 CD LYS A 72 -1.934 6.684 10.489 1.00 0.00 C ATOM 1142 CE LYS A 72 -2.225 6.943 11.961 1.00 0.00 C ATOM 1143 NZ LYS A 72 -3.649 7.299 12.195 1.00 0.00 N ATOM 0 H LYS A 72 1.531 8.773 8.399 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.109 8.915 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.437 7.435 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.304 7.854 11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.295 6.170 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.117 5.583 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.263 7.539 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.509 5.822 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.974 6.055 12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.586 7.750 12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.803 7.467 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.883 8.161 11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.259 6.519 11.877 1.00 0.00 H new ATOM 1157 N LYS A 73 0.852 11.160 9.835 1.00 0.00 N ATOM 1158 CA LYS A 73 1.066 12.479 10.397 1.00 0.00 C ATOM 1159 C LYS A 73 -0.229 13.277 10.261 1.00 0.00 C ATOM 1160 O LYS A 73 -0.343 14.434 10.668 1.00 0.00 O ATOM 1161 CB LYS A 73 2.244 13.129 9.659 1.00 0.00 C ATOM 1162 CG LYS A 73 2.535 14.568 10.026 1.00 0.00 C ATOM 1163 CD LYS A 73 1.910 15.524 9.023 1.00 0.00 C ATOM 1164 CE LYS A 73 2.173 16.974 9.382 1.00 0.00 C ATOM 1165 NZ LYS A 73 1.627 17.895 8.352 1.00 0.00 N ATOM 0 H LYS A 73 1.094 11.080 8.847 1.00 0.00 H new ATOM 0 HA LYS A 73 1.318 12.439 11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.139 12.537 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.050 13.079 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.148 14.778 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.613 14.727 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.308 15.318 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.835 15.351 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.722 17.199 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.246 17.136 9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.823 18.879 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.076 17.696 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.599 17.756 8.272 1.00 0.00 H new ATOM 1179 N LEU A 74 -1.226 12.593 9.733 1.00 0.00 N ATOM 1180 CA LEU A 74 -2.555 13.126 9.587 1.00 0.00 C ATOM 1181 C LEU A 74 -3.371 12.740 10.807 1.00 0.00 C ATOM 1182 O LEU A 74 -4.010 11.684 10.828 1.00 0.00 O ATOM 1183 CB LEU A 74 -3.195 12.576 8.313 1.00 0.00 C ATOM 1184 CG LEU A 74 -2.411 12.840 7.024 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -3.130 12.233 5.828 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -2.206 14.334 6.822 1.00 0.00 C ATOM 0 H LEU A 74 -1.128 11.637 9.390 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.518 14.213 9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.325 11.500 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.190 13.008 8.209 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.433 12.367 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.558 12.431 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.226 11.156 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.121 12.677 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.647 14.503 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.175 14.828 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.649 14.742 7.665 1.00 0.00 H new ATOM 1198 N ASN A 75 -3.282 13.584 11.826 1.00 0.00 N ATOM 1199 CA ASN A 75 -3.896 13.336 13.134 1.00 0.00 C ATOM 1200 C ASN A 75 -3.097 12.262 13.867 1.00 0.00 C ATOM 1201 O ASN A 75 -3.199 11.068 13.566 1.00 0.00 O ATOM 1202 CB ASN A 75 -5.375 12.938 13.005 1.00 0.00 C ATOM 1203 CG ASN A 75 -6.141 13.098 14.305 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -5.588 12.966 15.397 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -7.427 13.393 14.195 1.00 0.00 N ATOM 0 H ASN A 75 -2.778 14.469 11.773 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.873 14.260 13.711 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.845 13.548 12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.440 11.901 12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.995 13.519 15.033 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.850 13.494 13.272 1.00 0.00 H new ATOM 1212 N ILE A 76 -2.284 12.705 14.818 1.00 0.00 N ATOM 1213 CA ILE A 76 -1.303 11.846 15.465 1.00 0.00 C ATOM 1214 C ILE A 76 -1.954 10.850 16.419 1.00 0.00 C ATOM 1215 O ILE A 76 -2.805 11.205 17.234 1.00 0.00 O ATOM 1216 CB ILE A 76 -0.254 12.679 16.234 1.00 0.00 C ATOM 1217 CG1 ILE A 76 0.388 13.710 15.297 1.00 0.00 C ATOM 1218 CG2 ILE A 76 0.809 11.772 16.846 1.00 0.00 C ATOM 1219 CD1 ILE A 76 1.382 14.617 15.984 1.00 0.00 C ATOM 0 H ILE A 76 -2.287 13.666 15.161 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.809 11.288 14.670 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.754 13.208 17.045 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.889 13.186 14.483 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.397 14.319 14.848 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.539 12.378 17.383 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.337 11.074 17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.312 11.215 16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.795 15.319 15.260 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.882 15.169 16.780 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.188 14.018 16.409 1.00 0.00 H new ATOM 1231 N ASP A 77 -1.537 9.602 16.289 1.00 0.00 N ATOM 1232 CA ASP A 77 -1.945 8.537 17.190 1.00 0.00 C ATOM 1233 C ASP A 77 -0.716 7.713 17.527 1.00 0.00 C ATOM 1234 O ASP A 77 -0.307 6.843 16.760 1.00 0.00 O ATOM 1235 CB ASP A 77 -3.037 7.667 16.563 1.00 0.00 C ATOM 1236 CG ASP A 77 -3.431 6.494 17.442 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -3.783 6.714 18.622 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -3.402 5.347 16.951 1.00 0.00 O ATOM 0 H ASP A 77 -0.902 9.297 15.551 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.369 8.963 18.099 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.917 8.280 16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.689 7.293 15.600 1.00 0.00 H new ATOM 1243 N THR A 78 -0.123 8.042 18.665 1.00 0.00 N ATOM 1244 CA THR A 78 1.187 7.543 19.062 1.00 0.00 C ATOM 1245 C THR A 78 1.346 6.030 18.920 1.00 0.00 C ATOM 1246 O THR A 78 0.778 5.255 19.691 1.00 0.00 O ATOM 1247 CB THR A 78 1.495 7.947 20.514 1.00 0.00 C ATOM 1248 OG1 THR A 78 0.340 7.721 21.337 1.00 0.00 O ATOM 1249 CG2 THR A 78 1.908 9.408 20.605 1.00 0.00 C ATOM 0 H THR A 78 -0.543 8.672 19.349 1.00 0.00 H new ATOM 0 HA THR A 78 1.896 8.002 18.373 1.00 0.00 H new ATOM 0 HB THR A 78 2.325 7.335 20.866 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.009 6.820 21.171 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.119 9.662 21.644 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.802 9.572 20.003 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.100 10.038 20.234 1.00 0.00 H new ATOM 1257 N VAL A 79 2.121 5.630 17.920 1.00 0.00 N ATOM 1258 CA VAL A 79 2.537 4.243 17.762 1.00 0.00 C ATOM 1259 C VAL A 79 4.055 4.143 17.984 1.00 0.00 C ATOM 1260 O VAL A 79 4.853 4.264 17.055 1.00 0.00 O ATOM 1261 CB VAL A 79 2.125 3.663 16.381 1.00 0.00 C ATOM 1262 CG1 VAL A 79 2.617 4.533 15.235 1.00 0.00 C ATOM 1263 CG2 VAL A 79 2.627 2.234 16.226 1.00 0.00 C ATOM 0 H VAL A 79 2.478 6.256 17.198 1.00 0.00 H new ATOM 0 HA VAL A 79 2.024 3.639 18.510 1.00 0.00 H new ATOM 0 HB VAL A 79 1.036 3.655 16.341 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.309 4.094 14.286 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.191 5.532 15.328 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.705 4.598 15.268 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.328 1.847 15.252 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.714 2.220 16.304 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.199 1.611 17.011 1.00 0.00 H new ATOM 1273 N PRO A 80 4.467 3.982 19.248 1.00 0.00 N ATOM 1274 CA PRO A 80 5.877 4.042 19.628 1.00 0.00 C ATOM 1275 C PRO A 80 6.651 2.774 19.280 1.00 0.00 C ATOM 1276 O PRO A 80 6.161 1.656 19.457 1.00 0.00 O ATOM 1277 CB PRO A 80 5.817 4.230 21.143 1.00 0.00 C ATOM 1278 CG PRO A 80 4.549 3.563 21.556 1.00 0.00 C ATOM 1279 CD PRO A 80 3.593 3.716 20.404 1.00 0.00 C ATOM 0 HA PRO A 80 6.403 4.835 19.095 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.680 3.779 21.633 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.815 5.286 21.411 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.720 2.510 21.782 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.145 4.021 22.459 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.999 2.814 20.256 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.893 4.535 20.572 1.00 0.00 H new ATOM 1287 N ILE A 81 7.858 2.961 18.766 1.00 0.00 N ATOM 1288 CA ILE A 81 8.772 1.857 18.536 1.00 0.00 C ATOM 1289 C ILE A 81 9.914 1.957 19.530 1.00 0.00 C ATOM 1290 O ILE A 81 10.556 3.002 19.651 1.00 0.00 O ATOM 1291 CB ILE A 81 9.366 1.841 17.106 1.00 0.00 C ATOM 1292 CG1 ILE A 81 8.267 1.883 16.033 1.00 0.00 C ATOM 1293 CG2 ILE A 81 10.239 0.607 16.907 1.00 0.00 C ATOM 1294 CD1 ILE A 81 7.726 3.267 15.750 1.00 0.00 C ATOM 0 H ILE A 81 8.227 3.874 18.500 1.00 0.00 H new ATOM 0 HA ILE A 81 8.201 0.937 18.660 1.00 0.00 H new ATOM 0 HB ILE A 81 9.977 2.737 16.996 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.663 1.464 15.108 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.444 1.241 16.347 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.649 0.610 15.897 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.055 0.618 17.630 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.638 -0.291 17.052 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.955 3.206 14.981 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.297 3.684 16.662 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.535 3.910 15.403 1.00 0.00 H new ATOM 1306 N GLU A 82 10.159 0.885 20.246 1.00 0.00 N ATOM 1307 CA GLU A 82 11.218 0.867 21.234 1.00 0.00 C ATOM 1308 C GLU A 82 12.539 0.495 20.582 1.00 0.00 C ATOM 1309 O GLU A 82 12.970 -0.659 20.622 1.00 0.00 O ATOM 1310 CB GLU A 82 10.884 -0.086 22.381 1.00 0.00 C ATOM 1311 CG GLU A 82 9.680 0.362 23.197 1.00 0.00 C ATOM 1312 CD GLU A 82 9.354 -0.580 24.335 1.00 0.00 C ATOM 1313 OE1 GLU A 82 10.044 -0.532 25.374 1.00 0.00 O ATOM 1314 OE2 GLU A 82 8.408 -1.381 24.195 1.00 0.00 O ATOM 0 H GLU A 82 9.640 0.011 20.164 1.00 0.00 H new ATOM 0 HA GLU A 82 11.312 1.868 21.656 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.692 -1.079 21.976 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.749 -0.172 23.038 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.871 1.357 23.599 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.813 0.444 22.541 1.00 0.00 H new ATOM 1321 N SER A 83 13.149 1.476 19.938 1.00 0.00 N ATOM 1322 CA SER A 83 14.430 1.299 19.281 1.00 0.00 C ATOM 1323 C SER A 83 15.217 2.606 19.339 1.00 0.00 C ATOM 1324 O SER A 83 14.876 3.499 20.116 1.00 0.00 O ATOM 1325 CB SER A 83 14.221 0.859 17.830 1.00 0.00 C ATOM 1326 OG SER A 83 13.499 -0.362 17.771 1.00 0.00 O ATOM 0 H SER A 83 12.768 2.419 19.857 1.00 0.00 H new ATOM 0 HA SER A 83 14.997 0.523 19.795 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.680 1.633 17.285 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.187 0.739 17.339 1.00 0.00 H new ATOM 0 HG SER A 83 13.375 -0.624 16.835 1.00 0.00 H new ATOM 1332 N GLY A 84 16.256 2.721 18.528 1.00 0.00 N ATOM 1333 CA GLY A 84 17.083 3.909 18.567 1.00 0.00 C ATOM 1334 C GLY A 84 16.634 4.980 17.594 1.00 0.00 C ATOM 1335 O GLY A 84 16.780 4.825 16.380 1.00 0.00 O ATOM 0 H GLY A 84 16.541 2.018 17.847 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.073 4.318 19.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.114 3.634 18.344 1.00 0.00 H new ATOM 1339 N TYR A 85 16.081 6.065 18.118 1.00 0.00 N ATOM 1340 CA TYR A 85 15.716 7.207 17.291 1.00 0.00 C ATOM 1341 C TYR A 85 16.937 8.088 17.053 1.00 0.00 C ATOM 1342 O TYR A 85 17.067 9.167 17.635 1.00 0.00 O ATOM 1343 CB TYR A 85 14.600 8.032 17.941 1.00 0.00 C ATOM 1344 CG TYR A 85 13.246 7.355 17.963 1.00 0.00 C ATOM 1345 CD1 TYR A 85 12.495 7.224 16.800 1.00 0.00 C ATOM 1346 CD2 TYR A 85 12.711 6.861 19.146 1.00 0.00 C ATOM 1347 CE1 TYR A 85 11.252 6.618 16.817 1.00 0.00 C ATOM 1348 CE2 TYR A 85 11.468 6.256 19.171 1.00 0.00 C ATOM 1349 CZ TYR A 85 10.743 6.137 18.006 1.00 0.00 C ATOM 1350 OH TYR A 85 9.504 5.540 18.029 1.00 0.00 O ATOM 0 H TYR A 85 15.875 6.179 19.111 1.00 0.00 H new ATOM 0 HA TYR A 85 15.347 6.828 16.338 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.890 8.268 18.965 1.00 0.00 H new ATOM 0 HB3 TYR A 85 14.509 8.979 17.409 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.889 7.602 15.868 1.00 0.00 H new ATOM 0 HD2 TYR A 85 13.276 6.951 20.062 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.683 6.522 15.904 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.067 5.878 20.100 1.00 0.00 H new ATOM 0 HH TYR A 85 9.332 5.111 17.165 1.00 0.00 H new ATOM 1360 N THR A 86 17.848 7.600 16.226 1.00 0.00 N ATOM 1361 CA THR A 86 19.058 8.330 15.907 1.00 0.00 C ATOM 1362 C THR A 86 18.737 9.519 15.006 1.00 0.00 C ATOM 1363 O THR A 86 18.337 9.349 13.851 1.00 0.00 O ATOM 1364 CB THR A 86 20.078 7.412 15.210 1.00 0.00 C ATOM 1365 OG1 THR A 86 20.156 6.158 15.906 1.00 0.00 O ATOM 1366 CG2 THR A 86 21.455 8.055 15.167 1.00 0.00 C ATOM 0 H THR A 86 17.768 6.695 15.762 1.00 0.00 H new ATOM 0 HA THR A 86 19.491 8.694 16.839 1.00 0.00 H new ATOM 0 HB THR A 86 19.743 7.247 14.186 1.00 0.00 H new ATOM 0 HG1 THR A 86 20.805 5.575 15.459 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.155 7.384 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.401 8.995 14.618 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.798 8.248 16.183 1.00 0.00 H new ATOM 1374 N LEU A 87 18.893 10.719 15.541 1.00 0.00 N ATOM 1375 CA LEU A 87 18.560 11.924 14.803 1.00 0.00 C ATOM 1376 C LEU A 87 19.745 12.395 13.974 1.00 0.00 C ATOM 1377 O LEU A 87 20.677 13.010 14.496 1.00 0.00 O ATOM 1378 CB LEU A 87 18.113 13.029 15.758 1.00 0.00 C ATOM 1379 CG LEU A 87 16.892 12.690 16.613 1.00 0.00 C ATOM 1380 CD1 LEU A 87 16.519 13.864 17.499 1.00 0.00 C ATOM 1381 CD2 LEU A 87 15.715 12.291 15.739 1.00 0.00 C ATOM 0 H LEU A 87 19.248 10.883 16.483 1.00 0.00 H new ATOM 0 HA LEU A 87 17.738 11.691 14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.944 13.275 16.419 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.893 13.924 15.176 1.00 0.00 H new ATOM 0 HG LEU A 87 17.148 11.843 17.249 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.648 13.604 18.100 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.355 14.104 18.156 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.286 14.729 16.878 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.858 12.054 16.369 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.460 13.116 15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.982 11.416 15.146 1.00 0.00 H new ATOM 1393 N GLU A 88 19.715 12.076 12.690 1.00 0.00 N ATOM 1394 CA GLU A 88 20.741 12.533 11.765 1.00 0.00 C ATOM 1395 C GLU A 88 20.555 14.036 11.539 1.00 0.00 C ATOM 1396 O GLU A 88 19.425 14.511 11.413 1.00 0.00 O ATOM 1397 CB GLU A 88 20.633 11.749 10.447 1.00 0.00 C ATOM 1398 CG GLU A 88 21.941 11.611 9.677 1.00 0.00 C ATOM 1399 CD GLU A 88 22.455 12.930 9.148 1.00 0.00 C ATOM 1400 OE1 GLU A 88 21.930 13.399 8.116 1.00 0.00 O ATOM 1401 OE2 GLU A 88 23.373 13.506 9.764 1.00 0.00 O ATOM 0 H GLU A 88 18.989 11.501 12.263 1.00 0.00 H new ATOM 0 HA GLU A 88 21.736 12.358 12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.248 10.752 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.901 12.241 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.695 11.168 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.795 10.923 8.844 1.00 0.00 H new ATOM 1408 N HIS A 89 21.647 14.782 11.488 1.00 0.00 N ATOM 1409 CA HIS A 89 21.555 16.235 11.484 1.00 0.00 C ATOM 1410 C HIS A 89 22.502 16.873 10.470 1.00 0.00 C ATOM 1411 O HIS A 89 23.726 16.796 10.594 1.00 0.00 O ATOM 1412 CB HIS A 89 21.800 16.804 12.892 1.00 0.00 C ATOM 1413 CG HIS A 89 23.047 16.307 13.566 1.00 0.00 C ATOM 1414 ND1 HIS A 89 24.186 17.071 13.702 1.00 0.00 N ATOM 1415 CD2 HIS A 89 23.317 15.123 14.166 1.00 0.00 C ATOM 1416 CE1 HIS A 89 25.101 16.380 14.357 1.00 0.00 C ATOM 1417 NE2 HIS A 89 24.597 15.198 14.650 1.00 0.00 N ATOM 0 H HIS A 89 22.597 14.412 11.449 1.00 0.00 H new ATOM 0 HA HIS A 89 20.540 16.488 11.178 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.849 17.891 12.826 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.943 16.561 13.520 1.00 0.00 H new ATOM 0 HD2 HIS A 89 22.649 14.278 14.248 1.00 0.00 H new ATOM 0 HE1 HIS A 89 26.093 16.725 14.609 1.00 0.00 H new ATOM 0 HE2 HIS A 89 25.082 14.457 15.156 1.00 0.00 H new ATOM 1426 N HIS A 90 21.906 17.485 9.454 1.00 0.00 N ATOM 1427 CA HIS A 90 22.641 18.258 8.462 1.00 0.00 C ATOM 1428 C HIS A 90 22.197 19.715 8.531 1.00 0.00 C ATOM 1429 O HIS A 90 21.618 20.140 9.530 1.00 0.00 O ATOM 1430 CB HIS A 90 22.412 17.693 7.055 1.00 0.00 C ATOM 1431 CG HIS A 90 23.206 16.455 6.765 1.00 0.00 C ATOM 1432 ND1 HIS A 90 23.279 15.878 5.517 1.00 0.00 N ATOM 1433 CD2 HIS A 90 23.967 15.684 7.575 1.00 0.00 C ATOM 1434 CE1 HIS A 90 24.047 14.807 5.576 1.00 0.00 C ATOM 1435 NE2 HIS A 90 24.478 14.667 6.813 1.00 0.00 N ATOM 0 H HIS A 90 20.899 17.459 9.295 1.00 0.00 H new ATOM 0 HA HIS A 90 23.708 18.194 8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 90 21.352 17.471 6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 90 22.666 18.457 6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 90 24.140 15.841 8.629 1.00 0.00 H new ATOM 0 HE1 HIS A 90 24.283 14.154 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 90 25.091 13.924 7.148 1.00 0.00 H new ATOM 1444 N HIS A 91 22.461 20.480 7.482 1.00 0.00 N ATOM 1445 CA HIS A 91 22.096 21.888 7.469 1.00 0.00 C ATOM 1446 C HIS A 91 20.790 22.100 6.727 1.00 0.00 C ATOM 1447 O HIS A 91 20.273 21.186 6.081 1.00 0.00 O ATOM 1448 CB HIS A 91 23.192 22.733 6.818 1.00 0.00 C ATOM 1449 CG HIS A 91 24.475 22.739 7.576 1.00 0.00 C ATOM 1450 ND1 HIS A 91 25.701 22.837 6.967 1.00 0.00 N ATOM 1451 CD2 HIS A 91 24.719 22.664 8.904 1.00 0.00 C ATOM 1452 CE1 HIS A 91 26.647 22.820 7.883 1.00 0.00 C ATOM 1453 NE2 HIS A 91 26.079 22.717 9.069 1.00 0.00 N ATOM 0 H HIS A 91 22.924 20.152 6.634 1.00 0.00 H new ATOM 0 HA HIS A 91 21.974 22.203 8.505 1.00 0.00 H new ATOM 0 HB2 HIS A 91 23.377 22.359 5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 91 22.836 23.758 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 91 23.981 22.578 9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 91 27.709 22.880 7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 91 26.571 22.682 9.962 1.00 0.00 H new ATOM 1462 N HIS A 92 20.267 23.309 6.829 1.00 0.00 N ATOM 1463 CA HIS A 92 19.051 23.672 6.127 1.00 0.00 C ATOM 1464 C HIS A 92 19.389 24.088 4.701 1.00 0.00 C ATOM 1465 O HIS A 92 20.038 25.112 4.476 1.00 0.00 O ATOM 1466 CB HIS A 92 18.331 24.807 6.859 1.00 0.00 C ATOM 1467 CG HIS A 92 16.917 25.014 6.409 1.00 0.00 C ATOM 1468 ND1 HIS A 92 15.844 24.397 7.012 1.00 0.00 N ATOM 1469 CD2 HIS A 92 16.398 25.777 5.419 1.00 0.00 C ATOM 1470 CE1 HIS A 92 14.731 24.767 6.413 1.00 0.00 C ATOM 1471 NE2 HIS A 92 15.035 25.607 5.442 1.00 0.00 N ATOM 0 H HIS A 92 20.668 24.058 7.394 1.00 0.00 H new ATOM 0 HA HIS A 92 18.385 22.809 6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.335 24.598 7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.888 25.732 6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 92 16.953 26.404 4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.736 24.438 6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.369 26.056 4.813 1.00 0.00 H new ATOM 1480 N HIS A 93 18.958 23.280 3.749 1.00 0.00 N ATOM 1481 CA HIS A 93 19.240 23.536 2.345 1.00 0.00 C ATOM 1482 C HIS A 93 18.243 24.541 1.789 1.00 0.00 C ATOM 1483 O HIS A 93 17.055 24.486 2.100 1.00 0.00 O ATOM 1484 CB HIS A 93 19.172 22.231 1.542 1.00 0.00 C ATOM 1485 CG HIS A 93 19.712 22.343 0.146 1.00 0.00 C ATOM 1486 ND1 HIS A 93 18.924 22.602 -0.957 1.00 0.00 N ATOM 1487 CD2 HIS A 93 20.977 22.219 -0.323 1.00 0.00 C ATOM 1488 CE1 HIS A 93 19.681 22.633 -2.039 1.00 0.00 C ATOM 1489 NE2 HIS A 93 20.930 22.404 -1.680 1.00 0.00 N ATOM 0 H HIS A 93 18.409 22.438 3.922 1.00 0.00 H new ATOM 0 HA HIS A 93 20.246 23.948 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 93 19.728 21.460 2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 93 18.135 21.900 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.860 22.012 0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.336 22.815 -3.046 1.00 0.00 H new ATOM 0 HE2 HIS A 93 21.731 22.370 -2.311 1.00 0.00 H new ATOM 1498 N HIS A 94 18.735 25.459 0.980 1.00 0.00 N ATOM 1499 CA HIS A 94 17.890 26.456 0.346 1.00 0.00 C ATOM 1500 C HIS A 94 18.309 26.621 -1.109 1.00 0.00 C ATOM 1501 O HIS A 94 19.489 26.953 -1.353 1.00 0.00 O ATOM 1502 CB HIS A 94 17.940 27.800 1.102 1.00 0.00 C ATOM 1503 CG HIS A 94 19.281 28.487 1.097 1.00 0.00 C ATOM 1504 ND1 HIS A 94 19.451 29.797 0.702 1.00 0.00 N ATOM 1505 CD2 HIS A 94 20.513 28.043 1.445 1.00 0.00 C ATOM 1506 CE1 HIS A 94 20.727 30.122 0.803 1.00 0.00 C ATOM 1507 NE2 HIS A 94 21.396 29.076 1.252 1.00 0.00 N ATOM 1508 OXT HIS A 94 17.473 26.382 -1.999 1.00 0.00 O ATOM 0 H HIS A 94 19.724 25.536 0.744 1.00 0.00 H new ATOM 0 HA HIS A 94 16.855 26.115 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 94 17.203 28.473 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 94 17.641 27.629 2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 94 20.756 27.055 1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 94 21.153 31.084 0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 94 22.400 29.041 1.426 1.00 0.00 H new TER 1517 HIS A 94