USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= -1.42! C(o=-0.32!,f=-12!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -132:sc= 1.09 (180deg=-0.161) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -139:sc= 2.13 (180deg=0.169) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.82 K(o=4,f=-9.5!) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -1.61! K(o=-1.6!,f=-1) USER MOD Set 3.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 61 TYR OH : rot 60:sc= 0.166 USER MOD Set 4.2: A 65 LYS NZ :NH3+ 177:sc= 0.529 (180deg=0.151) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0.793 (180deg=0.693) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -3.11! (180deg=-3.95!) USER MOD Single : A 15 MET CE :methyl -134:sc= -0.326 (180deg=-2.07) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0441) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.555 (180deg=0.405) USER MOD Single : A 47 THR OG1 : rot 164:sc= 1.26 USER MOD Single : A 48 HIS : no HD1:sc= 0.793 K(o=0.79,f=-4.9!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0.647) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 64 ASN : amide:sc= -1.75! C(o=-1.8!,f=-4.5!) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 1.36 (180deg=-2.19!) USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 2.45 (180deg=1.3) USER MOD Single : A 72 ASN : amide:sc= 1.27 K(o=1.3,f=-8.2!) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -0.0229 (180deg=-0.216) USER MOD Single : A 86 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 2.685 10.822 5.871 1.00 0.00 N ATOM 67 CA PHE A 5 2.753 9.437 5.597 1.00 0.00 C ATOM 68 C PHE A 5 4.100 8.925 5.969 1.00 0.00 C ATOM 69 O PHE A 5 5.123 9.437 5.518 1.00 0.00 O ATOM 70 CB PHE A 5 2.482 9.184 4.138 1.00 0.00 C ATOM 71 CG PHE A 5 1.134 9.634 3.665 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.936 10.920 3.194 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.082 8.753 3.642 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.294 11.306 2.702 1.00 0.00 C ATOM 75 CE2 PHE A 5 -1.151 9.136 3.165 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.338 10.406 2.689 1.00 0.00 C ATOM 0 HA PHE A 5 1.997 8.915 6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.246 9.689 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.583 8.116 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.751 11.628 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.224 7.745 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.438 12.309 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.972 8.434 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.302 10.702 2.304 1.00 0.00 H new ATOM 86 N LYS A 6 4.100 7.938 6.788 1.00 0.00 N ATOM 87 CA LYS A 6 5.295 7.367 7.309 1.00 0.00 C ATOM 88 C LYS A 6 5.228 5.855 7.248 1.00 0.00 C ATOM 89 O LYS A 6 4.126 5.298 7.193 1.00 0.00 O ATOM 90 CB LYS A 6 5.599 7.916 8.735 1.00 0.00 C ATOM 91 CG LYS A 6 4.384 8.407 9.535 1.00 0.00 C ATOM 92 CD LYS A 6 3.393 7.309 9.901 1.00 0.00 C ATOM 93 CE LYS A 6 2.143 7.903 10.547 1.00 0.00 C ATOM 94 NZ LYS A 6 1.323 8.692 9.586 1.00 0.00 N ATOM 0 H LYS A 6 3.248 7.490 7.126 1.00 0.00 H new ATOM 0 HA LYS A 6 6.138 7.666 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.095 7.132 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.307 8.740 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.734 8.885 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.866 9.171 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.116 6.750 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.862 6.603 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.536 7.099 10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.437 8.543 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.534 9.143 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.915 9.424 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.947 8.060 8.850 1.00 0.00 H new ATOM 108 N PRO A 7 6.397 5.182 7.194 1.00 0.00 N ATOM 109 CA PRO A 7 6.484 3.715 7.144 1.00 0.00 C ATOM 110 C PRO A 7 5.635 3.057 8.221 1.00 0.00 C ATOM 111 O PRO A 7 5.764 3.365 9.405 1.00 0.00 O ATOM 112 CB PRO A 7 7.964 3.443 7.405 1.00 0.00 C ATOM 113 CG PRO A 7 8.663 4.650 6.906 1.00 0.00 C ATOM 114 CD PRO A 7 7.736 5.803 7.170 1.00 0.00 C ATOM 0 HA PRO A 7 6.120 3.314 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.156 3.285 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.300 2.547 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.615 4.789 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.883 4.562 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.967 6.293 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.811 6.562 6.392 1.00 0.00 H new ATOM 122 N GLY A 8 4.741 2.207 7.795 1.00 0.00 N ATOM 123 CA GLY A 8 3.889 1.521 8.706 1.00 0.00 C ATOM 124 C GLY A 8 2.448 1.942 8.567 1.00 0.00 C ATOM 125 O GLY A 8 1.555 1.222 9.008 1.00 0.00 O ATOM 0 H GLY A 8 4.589 1.977 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.970 0.447 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.224 1.710 9.726 1.00 0.00 H new ATOM 129 N ASP A 9 2.215 3.089 7.926 1.00 0.00 N ATOM 130 CA ASP A 9 0.851 3.629 7.786 1.00 0.00 C ATOM 131 C ASP A 9 0.089 2.840 6.729 1.00 0.00 C ATOM 132 O ASP A 9 0.693 2.253 5.807 1.00 0.00 O ATOM 133 CB ASP A 9 0.870 5.106 7.388 1.00 0.00 C ATOM 134 CG ASP A 9 -0.364 5.876 7.854 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.498 5.431 7.617 1.00 0.00 O ATOM 136 OD2 ASP A 9 -0.179 6.955 8.464 1.00 0.00 O ATOM 0 H ASP A 9 2.942 3.661 7.497 1.00 0.00 H new ATOM 0 HA ASP A 9 0.358 3.538 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.761 5.576 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.948 5.181 6.303 1.00 0.00 H new ATOM 141 N LEU A 10 -1.201 2.876 6.821 1.00 0.00 N ATOM 142 CA LEU A 10 -2.069 2.106 5.987 1.00 0.00 C ATOM 143 C LEU A 10 -2.725 3.015 5.001 1.00 0.00 C ATOM 144 O LEU A 10 -3.443 3.938 5.382 1.00 0.00 O ATOM 145 CB LEU A 10 -3.117 1.443 6.853 1.00 0.00 C ATOM 146 CG LEU A 10 -2.572 0.539 7.947 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.699 -0.122 8.703 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.630 -0.486 7.358 1.00 0.00 C ATOM 0 H LEU A 10 -1.695 3.458 7.497 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.504 1.342 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.728 2.219 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.776 0.856 6.213 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.010 1.147 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.287 -0.765 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.329 0.642 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.296 -0.721 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.247 -1.127 8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.164 -1.093 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.799 0.022 6.869 1.00 0.00 H new ATOM 160 N ILE A 11 -2.524 2.766 3.739 1.00 0.00 N ATOM 161 CA ILE A 11 -3.020 3.668 2.744 1.00 0.00 C ATOM 162 C ILE A 11 -3.662 2.964 1.554 1.00 0.00 C ATOM 163 O ILE A 11 -3.788 1.744 1.498 1.00 0.00 O ATOM 164 CB ILE A 11 -1.898 4.678 2.252 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.629 3.968 1.746 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.526 5.671 3.328 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.682 3.457 0.330 1.00 0.00 C ATOM 0 H ILE A 11 -2.025 1.953 3.378 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.808 4.237 3.237 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.339 5.212 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.209 4.659 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.418 3.128 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.756 6.344 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.406 6.249 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.147 5.138 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.264 2.976 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.493 2.735 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.856 4.290 -0.351 1.00 0.00 H new ATOM 179 N PHE A 12 -4.100 3.759 0.659 1.00 0.00 N ATOM 180 CA PHE A 12 -4.554 3.342 -0.612 1.00 0.00 C ATOM 181 C PHE A 12 -3.601 3.885 -1.602 1.00 0.00 C ATOM 182 O PHE A 12 -3.260 5.072 -1.568 1.00 0.00 O ATOM 183 CB PHE A 12 -5.971 3.804 -0.917 1.00 0.00 C ATOM 184 CG PHE A 12 -7.035 2.932 -0.329 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.510 1.842 -1.038 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.561 3.190 0.914 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.488 1.029 -0.515 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.545 2.379 1.441 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.005 1.298 0.725 1.00 0.00 C ATOM 0 H PHE A 12 -4.156 4.768 0.796 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.593 2.253 -0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.100 4.819 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.104 3.844 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.106 1.627 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.201 4.034 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.847 0.181 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.955 2.593 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.773 0.662 1.140 1.00 0.00 H new ATOM 199 N ALA A 13 -3.165 3.048 -2.449 1.00 0.00 N ATOM 200 CA ALA A 13 -2.179 3.362 -3.392 1.00 0.00 C ATOM 201 C ALA A 13 -2.809 3.463 -4.726 1.00 0.00 C ATOM 202 O ALA A 13 -3.381 2.509 -5.238 1.00 0.00 O ATOM 203 CB ALA A 13 -1.135 2.289 -3.387 1.00 0.00 C ATOM 0 H ALA A 13 -3.498 2.086 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.707 4.313 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.364 2.528 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.686 2.223 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.594 1.334 -3.642 1.00 0.00 H new ATOM 209 N LYS A 14 -2.748 4.622 -5.255 1.00 0.00 N ATOM 210 CA LYS A 14 -3.309 4.906 -6.499 1.00 0.00 C ATOM 211 C LYS A 14 -2.197 5.205 -7.480 1.00 0.00 C ATOM 212 O LYS A 14 -1.418 6.156 -7.294 1.00 0.00 O ATOM 213 CB LYS A 14 -4.287 6.073 -6.311 1.00 0.00 C ATOM 214 CG LYS A 14 -5.027 6.518 -7.548 1.00 0.00 C ATOM 215 CD LYS A 14 -4.146 7.314 -8.492 1.00 0.00 C ATOM 216 CE LYS A 14 -3.982 8.790 -8.091 1.00 0.00 C ATOM 217 NZ LYS A 14 -3.292 8.971 -6.774 1.00 0.00 N ATOM 0 H LYS A 14 -2.290 5.420 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.867 4.064 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.019 5.790 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.734 6.925 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.417 5.644 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.885 7.125 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.162 6.848 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.567 7.264 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.416 9.309 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.965 9.259 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.985 9.960 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.948 8.734 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.463 8.345 -6.728 1.00 0.00 H new ATOM 231 N MET A 15 -2.152 4.426 -8.518 1.00 0.00 N ATOM 232 CA MET A 15 -1.167 4.568 -9.564 1.00 0.00 C ATOM 233 C MET A 15 -1.843 5.168 -10.769 1.00 0.00 C ATOM 234 O MET A 15 -3.062 5.121 -10.873 1.00 0.00 O ATOM 235 CB MET A 15 -0.517 3.230 -9.935 1.00 0.00 C ATOM 236 CG MET A 15 0.237 2.549 -8.804 1.00 0.00 C ATOM 237 SD MET A 15 1.160 1.100 -9.359 1.00 0.00 S ATOM 238 CE MET A 15 -0.156 0.090 -10.023 1.00 0.00 C ATOM 0 H MET A 15 -2.807 3.659 -8.671 1.00 0.00 H new ATOM 0 HA MET A 15 -0.367 5.216 -9.205 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.292 2.553 -10.294 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.172 3.395 -10.764 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.925 3.262 -8.350 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.469 2.251 -8.029 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.044 -0.934 -9.667 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.118 0.484 -9.695 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.110 0.103 -11.112 1.00 0.00 H new ATOM 248 N LYS A 16 -1.082 5.769 -11.649 1.00 0.00 N ATOM 249 CA LYS A 16 -1.660 6.396 -12.827 1.00 0.00 C ATOM 250 C LYS A 16 -2.279 5.325 -13.727 1.00 0.00 C ATOM 251 O LYS A 16 -1.581 4.462 -14.234 1.00 0.00 O ATOM 252 CB LYS A 16 -0.577 7.183 -13.589 1.00 0.00 C ATOM 253 CG LYS A 16 -1.066 7.894 -14.853 1.00 0.00 C ATOM 254 CD LYS A 16 0.083 8.604 -15.562 1.00 0.00 C ATOM 255 CE LYS A 16 -0.365 9.273 -16.862 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.371 10.348 -16.635 1.00 0.00 N ATOM 0 H LYS A 16 -0.067 5.841 -11.580 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.441 7.092 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.146 7.925 -12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.225 6.497 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.522 7.170 -15.528 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.839 8.617 -14.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.509 9.355 -14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.873 7.885 -15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.504 9.694 -17.368 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.787 8.520 -17.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.591 10.814 -17.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.239 9.933 -16.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.987 11.048 -15.969 1.00 0.00 H new ATOM 270 N GLY A 17 -3.588 5.400 -13.900 1.00 0.00 N ATOM 271 CA GLY A 17 -4.291 4.442 -14.730 1.00 0.00 C ATOM 272 C GLY A 17 -4.891 3.321 -13.907 1.00 0.00 C ATOM 273 O GLY A 17 -5.578 2.451 -14.431 1.00 0.00 O ATOM 0 H GLY A 17 -4.182 6.113 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.081 4.950 -15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.604 4.025 -15.466 1.00 0.00 H new ATOM 277 N TYR A 18 -4.645 3.355 -12.614 1.00 0.00 N ATOM 278 CA TYR A 18 -5.119 2.333 -11.720 1.00 0.00 C ATOM 279 C TYR A 18 -5.926 2.946 -10.587 1.00 0.00 C ATOM 280 O TYR A 18 -5.673 4.085 -10.179 1.00 0.00 O ATOM 281 CB TYR A 18 -3.942 1.524 -11.151 1.00 0.00 C ATOM 282 CG TYR A 18 -3.178 0.718 -12.184 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.574 -0.570 -12.510 1.00 0.00 C ATOM 284 CD2 TYR A 18 -2.062 1.242 -12.827 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.885 -1.312 -13.445 1.00 0.00 C ATOM 286 CE2 TYR A 18 -1.367 0.505 -13.760 1.00 0.00 C ATOM 287 CZ TYR A 18 -1.782 -0.771 -14.064 1.00 0.00 C ATOM 288 OH TYR A 18 -1.097 -1.503 -14.994 1.00 0.00 O ATOM 0 H TYR A 18 -4.110 4.094 -12.158 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.765 1.661 -12.285 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.251 2.208 -10.658 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.319 0.846 -10.385 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.437 -0.999 -12.023 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.735 2.244 -12.591 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.209 -2.313 -13.690 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.502 0.926 -14.250 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.345 -0.976 -15.336 1.00 0.00 H new ATOM 298 N PRO A 19 -6.929 2.217 -10.080 1.00 0.00 N ATOM 299 CA PRO A 19 -7.736 2.673 -8.959 1.00 0.00 C ATOM 300 C PRO A 19 -6.955 2.628 -7.642 1.00 0.00 C ATOM 301 O PRO A 19 -5.840 2.098 -7.579 1.00 0.00 O ATOM 302 CB PRO A 19 -8.896 1.670 -8.922 1.00 0.00 C ATOM 303 CG PRO A 19 -8.341 0.432 -9.528 1.00 0.00 C ATOM 304 CD PRO A 19 -7.363 0.891 -10.571 1.00 0.00 C ATOM 0 HA PRO A 19 -8.056 3.708 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.235 1.494 -7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.755 2.036 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.850 -0.185 -8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.131 -0.174 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.523 0.203 -10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.828 0.960 -11.554 1.00 0.00 H new ATOM 312 N HIS A 20 -7.539 3.202 -6.613 1.00 0.00 N ATOM 313 CA HIS A 20 -6.952 3.213 -5.285 1.00 0.00 C ATOM 314 C HIS A 20 -6.932 1.775 -4.737 1.00 0.00 C ATOM 315 O HIS A 20 -7.981 1.208 -4.480 1.00 0.00 O ATOM 316 CB HIS A 20 -7.797 4.112 -4.349 1.00 0.00 C ATOM 317 CG HIS A 20 -7.817 5.569 -4.722 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.732 6.141 -5.586 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.996 6.570 -4.343 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.431 7.437 -5.710 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.383 7.751 -4.976 1.00 0.00 N ATOM 0 H HIS A 20 -8.439 3.678 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.936 3.605 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.822 3.740 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.413 4.017 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.168 6.472 -3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.975 8.135 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.945 8.668 -4.889 1.00 0.00 H new ATOM 329 N TRP A 21 -5.758 1.204 -4.592 1.00 0.00 N ATOM 330 CA TRP A 21 -5.602 -0.177 -4.149 1.00 0.00 C ATOM 331 C TRP A 21 -5.018 -0.176 -2.726 1.00 0.00 C ATOM 332 O TRP A 21 -4.113 0.592 -2.451 1.00 0.00 O ATOM 333 CB TRP A 21 -4.635 -0.882 -5.117 1.00 0.00 C ATOM 334 CG TRP A 21 -4.656 -2.382 -5.068 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.082 -3.198 -4.136 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.267 -3.241 -6.032 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.325 -4.512 -4.451 1.00 0.00 N ATOM 338 CE2 TRP A 21 -5.046 -4.563 -5.618 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.991 -3.012 -7.209 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.520 -5.652 -6.340 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.461 -4.096 -7.924 1.00 0.00 C ATOM 342 CH2 TRP A 21 -6.225 -5.402 -7.487 1.00 0.00 C ATOM 0 H TRP A 21 -4.875 1.681 -4.777 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.560 -0.697 -4.141 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.870 -0.565 -6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.622 -0.542 -4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.520 -2.860 -3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.020 -5.319 -3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.178 -2.005 -7.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.338 -6.663 -6.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -7.019 -3.932 -8.834 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.606 -6.231 -8.065 1.00 0.00 H new ATOM 353 N PRO A 22 -5.535 -1.004 -1.807 1.00 0.00 N ATOM 354 CA PRO A 22 -5.052 -1.043 -0.411 1.00 0.00 C ATOM 355 C PRO A 22 -3.573 -1.459 -0.312 1.00 0.00 C ATOM 356 O PRO A 22 -3.184 -2.558 -0.746 1.00 0.00 O ATOM 357 CB PRO A 22 -5.959 -2.088 0.260 1.00 0.00 C ATOM 358 CG PRO A 22 -6.531 -2.891 -0.860 1.00 0.00 C ATOM 359 CD PRO A 22 -6.612 -1.973 -2.046 1.00 0.00 C ATOM 0 HA PRO A 22 -5.099 -0.062 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.393 -2.718 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.746 -1.609 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.902 -3.754 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.517 -3.274 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.465 -2.513 -2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.584 -1.484 -2.109 1.00 0.00 H new ATOM 367 N ALA A 23 -2.755 -0.589 0.251 1.00 0.00 N ATOM 368 CA ALA A 23 -1.347 -0.827 0.350 1.00 0.00 C ATOM 369 C ALA A 23 -0.775 -0.184 1.614 1.00 0.00 C ATOM 370 O ALA A 23 -1.429 0.624 2.260 1.00 0.00 O ATOM 371 CB ALA A 23 -0.679 -0.262 -0.874 1.00 0.00 C ATOM 0 H ALA A 23 -3.059 0.300 0.649 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.162 -1.899 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.396 -0.435 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.077 -0.750 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.871 0.809 -0.932 1.00 0.00 H new ATOM 377 N ARG A 24 0.420 -0.549 1.976 1.00 0.00 N ATOM 378 CA ARG A 24 1.051 0.030 3.148 1.00 0.00 C ATOM 379 C ARG A 24 2.178 0.917 2.707 1.00 0.00 C ATOM 380 O ARG A 24 2.831 0.627 1.687 1.00 0.00 O ATOM 381 CB ARG A 24 1.634 -1.068 4.089 1.00 0.00 C ATOM 382 CG ARG A 24 2.141 -0.524 5.432 1.00 0.00 C ATOM 383 CD ARG A 24 2.759 -1.584 6.350 1.00 0.00 C ATOM 384 NE ARG A 24 4.128 -2.004 5.963 1.00 0.00 N ATOM 385 CZ ARG A 24 5.163 -2.154 6.844 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.013 -1.871 8.132 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.351 -2.565 6.441 1.00 0.00 N ATOM 0 H ARG A 24 0.984 -1.242 1.485 1.00 0.00 H new ATOM 0 HA ARG A 24 0.293 0.592 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.866 -1.818 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.454 -1.573 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.883 0.250 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.311 -0.048 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.785 -1.195 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.112 -2.461 6.360 1.00 0.00 H new ATOM 0 HE ARG A 24 4.309 -2.193 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.114 -1.536 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.796 -1.989 8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.510 -2.777 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.110 -2.670 7.115 1.00 0.00 H new ATOM 401 N VAL A 25 2.389 2.014 3.421 1.00 0.00 N ATOM 402 CA VAL A 25 3.608 2.755 3.250 1.00 0.00 C ATOM 403 C VAL A 25 4.614 1.891 3.926 1.00 0.00 C ATOM 404 O VAL A 25 4.590 1.752 5.150 1.00 0.00 O ATOM 405 CB VAL A 25 3.600 4.138 3.938 1.00 0.00 C ATOM 406 CG1 VAL A 25 4.937 4.839 3.711 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.460 4.990 3.422 1.00 0.00 C ATOM 0 H VAL A 25 1.740 2.396 4.109 1.00 0.00 H new ATOM 0 HA VAL A 25 3.792 2.963 2.196 1.00 0.00 H new ATOM 0 HB VAL A 25 3.454 3.993 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.924 5.814 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.741 4.234 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.102 4.971 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.475 5.959 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.571 5.134 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.512 4.492 3.626 1.00 0.00 H new ATOM 417 N ASP A 26 5.424 1.265 3.172 1.00 0.00 N ATOM 418 CA ASP A 26 6.238 0.241 3.715 1.00 0.00 C ATOM 419 C ASP A 26 7.545 0.781 4.248 1.00 0.00 C ATOM 420 O ASP A 26 7.793 1.996 4.224 1.00 0.00 O ATOM 421 CB ASP A 26 6.428 -0.901 2.719 1.00 0.00 C ATOM 422 CG ASP A 26 6.308 -2.234 3.413 1.00 0.00 C ATOM 423 OD1 ASP A 26 7.298 -2.745 3.922 1.00 0.00 O ATOM 424 OD2 ASP A 26 5.179 -2.773 3.534 1.00 0.00 O ATOM 0 H ASP A 26 5.547 1.438 2.174 1.00 0.00 H new ATOM 0 HA ASP A 26 5.716 -0.178 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.682 -0.828 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.406 -0.818 2.245 1.00 0.00 H new ATOM 429 N GLU A 27 8.355 -0.095 4.726 1.00 0.00 N ATOM 430 CA GLU A 27 9.570 0.267 5.396 1.00 0.00 C ATOM 431 C GLU A 27 10.772 0.046 4.497 1.00 0.00 C ATOM 432 O GLU A 27 10.745 -0.788 3.588 1.00 0.00 O ATOM 433 CB GLU A 27 9.678 -0.534 6.694 1.00 0.00 C ATOM 434 CG GLU A 27 8.533 -0.236 7.661 1.00 0.00 C ATOM 435 CD GLU A 27 8.452 -1.197 8.820 1.00 0.00 C ATOM 436 OE1 GLU A 27 9.118 -0.976 9.822 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.664 -2.185 8.717 1.00 0.00 O ATOM 0 H GLU A 27 8.197 -1.101 4.666 1.00 0.00 H new ATOM 0 HA GLU A 27 9.552 1.329 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.685 -1.599 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.628 -0.308 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.650 0.776 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.591 -0.261 7.113 1.00 0.00 H new ATOM 597 N LYS A 39 9.920 9.071 -3.657 1.00 0.00 N ATOM 598 CA LYS A 39 8.577 8.682 -3.381 1.00 0.00 C ATOM 599 C LYS A 39 8.618 7.645 -2.268 1.00 0.00 C ATOM 600 O LYS A 39 9.690 7.103 -1.968 1.00 0.00 O ATOM 601 CB LYS A 39 7.902 8.106 -4.635 1.00 0.00 C ATOM 602 CG LYS A 39 8.045 8.971 -5.896 1.00 0.00 C ATOM 603 CD LYS A 39 7.112 8.502 -7.009 1.00 0.00 C ATOM 604 CE LYS A 39 5.685 8.950 -6.728 1.00 0.00 C ATOM 605 NZ LYS A 39 4.683 8.342 -7.637 1.00 0.00 N ATOM 0 HA LYS A 39 7.991 9.548 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.322 7.121 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.842 7.963 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.826 10.010 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.077 8.936 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.445 8.905 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.150 7.416 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.430 8.698 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.630 10.035 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.726 8.581 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.820 8.710 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.800 7.309 -7.641 1.00 0.00 H new ATOM 619 N LEU A 40 7.488 7.359 -1.689 1.00 0.00 N ATOM 620 CA LEU A 40 7.399 6.440 -0.573 1.00 0.00 C ATOM 621 C LEU A 40 7.281 5.007 -1.080 1.00 0.00 C ATOM 622 O LEU A 40 6.669 4.768 -2.138 1.00 0.00 O ATOM 623 CB LEU A 40 6.169 6.786 0.280 1.00 0.00 C ATOM 624 CG LEU A 40 6.150 8.179 0.928 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.796 8.452 1.529 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.214 8.294 2.009 1.00 0.00 C ATOM 0 H LEU A 40 6.592 7.755 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 40 8.301 6.529 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.282 6.690 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.083 6.041 1.071 1.00 0.00 H new ATOM 0 HG LEU A 40 6.361 8.913 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.793 9.442 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.036 8.411 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.577 7.701 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.178 9.290 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.030 7.548 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.198 8.127 1.570 1.00 0.00 H new ATOM 638 N PRO A 41 7.892 4.040 -0.369 1.00 0.00 N ATOM 639 CA PRO A 41 7.770 2.630 -0.717 1.00 0.00 C ATOM 640 C PRO A 41 6.360 2.139 -0.396 1.00 0.00 C ATOM 641 O PRO A 41 5.879 2.288 0.723 1.00 0.00 O ATOM 642 CB PRO A 41 8.811 1.938 0.178 1.00 0.00 C ATOM 643 CG PRO A 41 9.009 2.858 1.335 1.00 0.00 C ATOM 644 CD PRO A 41 8.735 4.251 0.832 1.00 0.00 C ATOM 0 HA PRO A 41 7.937 2.429 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.458 0.961 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.745 1.775 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.335 2.602 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.025 2.779 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.219 4.851 1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.658 4.775 0.584 1.00 0.00 H new ATOM 652 N ILE A 42 5.691 1.605 -1.369 1.00 0.00 N ATOM 653 CA ILE A 42 4.323 1.185 -1.202 1.00 0.00 C ATOM 654 C ILE A 42 4.191 -0.304 -1.483 1.00 0.00 C ATOM 655 O ILE A 42 4.530 -0.758 -2.555 1.00 0.00 O ATOM 656 CB ILE A 42 3.394 1.966 -2.172 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.496 3.490 -1.964 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.958 1.509 -2.048 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.134 3.971 -0.572 1.00 0.00 C ATOM 0 H ILE A 42 6.071 1.445 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 42 4.028 1.391 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 42 3.737 1.745 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.515 3.805 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.844 3.985 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.335 2.075 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.892 0.447 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.610 1.674 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.236 5.055 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.104 3.693 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.801 3.511 0.157 1.00 0.00 H new ATOM 671 N PHE A 43 3.702 -1.039 -0.535 1.00 0.00 N ATOM 672 CA PHE A 43 3.505 -2.473 -0.696 1.00 0.00 C ATOM 673 C PHE A 43 2.034 -2.764 -0.888 1.00 0.00 C ATOM 674 O PHE A 43 1.239 -2.525 0.025 1.00 0.00 O ATOM 675 CB PHE A 43 4.044 -3.240 0.526 1.00 0.00 C ATOM 676 CG PHE A 43 3.802 -4.737 0.486 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.641 -5.573 -0.230 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.731 -5.303 1.174 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.420 -6.938 -0.264 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.507 -6.663 1.141 1.00 0.00 C ATOM 681 CZ PHE A 43 3.350 -7.482 0.424 1.00 0.00 C ATOM 0 H PHE A 43 3.424 -0.677 0.377 1.00 0.00 H new ATOM 0 HA PHE A 43 4.057 -2.806 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.116 -3.060 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.583 -2.834 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.478 -5.155 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.067 -4.668 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.082 -7.579 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.670 -7.086 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.176 -8.548 0.399 1.00 0.00 H new ATOM 691 N PHE A 44 1.676 -3.252 -2.060 1.00 0.00 N ATOM 692 CA PHE A 44 0.276 -3.585 -2.363 1.00 0.00 C ATOM 693 C PHE A 44 -0.148 -4.868 -1.673 1.00 0.00 C ATOM 694 O PHE A 44 0.551 -5.892 -1.743 1.00 0.00 O ATOM 695 CB PHE A 44 0.020 -3.760 -3.864 1.00 0.00 C ATOM 696 CG PHE A 44 0.137 -2.531 -4.714 1.00 0.00 C ATOM 697 CD1 PHE A 44 -0.845 -1.553 -4.689 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.197 -2.375 -5.575 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.760 -0.451 -5.504 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.287 -1.277 -6.384 1.00 0.00 C ATOM 701 CZ PHE A 44 0.308 -0.312 -6.351 1.00 0.00 C ATOM 0 H PHE A 44 2.327 -3.431 -2.825 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.306 -2.740 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.719 -4.505 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.982 -4.169 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.687 -1.659 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.969 -3.130 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.532 0.303 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.129 -1.167 -7.051 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.381 0.554 -6.992 1.00 0.00 H new ATOM 711 N PHE A 45 -1.289 -4.833 -1.043 1.00 0.00 N ATOM 712 CA PHE A 45 -1.817 -6.001 -0.397 1.00 0.00 C ATOM 713 C PHE A 45 -2.682 -6.780 -1.353 1.00 0.00 C ATOM 714 O PHE A 45 -3.156 -6.243 -2.360 1.00 0.00 O ATOM 715 CB PHE A 45 -2.595 -5.646 0.856 1.00 0.00 C ATOM 716 CG PHE A 45 -1.742 -5.116 1.943 1.00 0.00 C ATOM 717 CD1 PHE A 45 -0.930 -5.963 2.659 1.00 0.00 C ATOM 718 CD2 PHE A 45 -1.746 -3.783 2.253 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.136 -5.487 3.665 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.955 -3.299 3.260 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.147 -4.153 3.969 1.00 0.00 C ATOM 0 H PHE A 45 -1.875 -4.002 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.974 -6.623 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.355 -4.906 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.119 -6.532 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.919 -7.017 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.379 -3.107 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.499 -6.163 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.967 -2.245 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.478 -3.773 4.764 1.00 0.00 H new ATOM 731 N GLY A 46 -2.853 -8.046 -1.060 1.00 0.00 N ATOM 732 CA GLY A 46 -3.643 -8.948 -1.872 1.00 0.00 C ATOM 733 C GLY A 46 -2.947 -9.384 -3.141 1.00 0.00 C ATOM 734 O GLY A 46 -3.309 -10.389 -3.733 1.00 0.00 O ATOM 0 H GLY A 46 -2.442 -8.489 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.893 -9.830 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.583 -8.461 -2.132 1.00 0.00 H new ATOM 738 N THR A 47 -1.956 -8.638 -3.564 1.00 0.00 N ATOM 739 CA THR A 47 -1.174 -9.020 -4.700 1.00 0.00 C ATOM 740 C THR A 47 0.285 -9.199 -4.291 1.00 0.00 C ATOM 741 O THR A 47 1.033 -9.943 -4.933 1.00 0.00 O ATOM 742 CB THR A 47 -1.278 -7.947 -5.797 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.869 -6.675 -5.273 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.703 -7.833 -6.311 1.00 0.00 C ATOM 0 H THR A 47 -1.675 -7.758 -3.131 1.00 0.00 H new ATOM 0 HA THR A 47 -1.555 -9.964 -5.089 1.00 0.00 H new ATOM 0 HB THR A 47 -0.627 -8.240 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.683 -6.061 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.750 -7.068 -7.086 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.017 -8.790 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.365 -7.559 -5.490 1.00 0.00 H new ATOM 752 N HIS A 48 0.657 -8.541 -3.170 1.00 0.00 N ATOM 753 CA HIS A 48 2.012 -8.588 -2.596 1.00 0.00 C ATOM 754 C HIS A 48 3.037 -7.909 -3.506 1.00 0.00 C ATOM 755 O HIS A 48 4.232 -8.175 -3.425 1.00 0.00 O ATOM 756 CB HIS A 48 2.440 -10.030 -2.196 1.00 0.00 C ATOM 757 CG HIS A 48 1.710 -10.586 -0.988 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.314 -11.376 -0.024 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.411 -10.488 -0.611 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.408 -11.736 0.877 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.260 -11.211 0.542 1.00 0.00 N ATOM 0 H HIS A 48 0.014 -7.957 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 48 1.980 -8.014 -1.670 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.273 -10.694 -3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.511 -10.035 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.364 -9.939 -1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.590 -12.358 1.741 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.613 -11.322 1.058 1.00 0.00 H new ATOM 770 N GLU A 49 2.551 -6.978 -4.315 1.00 0.00 N ATOM 771 CA GLU A 49 3.384 -6.202 -5.223 1.00 0.00 C ATOM 772 C GLU A 49 3.979 -5.014 -4.472 1.00 0.00 C ATOM 773 O GLU A 49 3.694 -4.803 -3.296 1.00 0.00 O ATOM 774 CB GLU A 49 2.537 -5.668 -6.365 1.00 0.00 C ATOM 775 CG GLU A 49 1.880 -6.712 -7.226 1.00 0.00 C ATOM 776 CD GLU A 49 0.875 -6.085 -8.147 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.179 -5.627 -7.659 1.00 0.00 O ATOM 778 OE2 GLU A 49 1.111 -5.995 -9.366 1.00 0.00 O ATOM 0 H GLU A 49 1.561 -6.738 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 49 4.176 -6.841 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.762 -5.024 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.165 -5.042 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.636 -7.238 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.390 -7.454 -6.596 1.00 0.00 H new ATOM 785 N THR A 50 4.786 -4.234 -5.132 1.00 0.00 N ATOM 786 CA THR A 50 5.370 -3.070 -4.519 1.00 0.00 C ATOM 787 C THR A 50 5.471 -1.954 -5.561 1.00 0.00 C ATOM 788 O THR A 50 5.637 -2.225 -6.750 1.00 0.00 O ATOM 789 CB THR A 50 6.768 -3.391 -3.945 1.00 0.00 C ATOM 790 OG1 THR A 50 6.705 -4.623 -3.208 1.00 0.00 O ATOM 791 CG2 THR A 50 7.231 -2.295 -2.992 1.00 0.00 C ATOM 0 H THR A 50 5.058 -4.383 -6.104 1.00 0.00 H new ATOM 0 HA THR A 50 4.735 -2.748 -3.693 1.00 0.00 H new ATOM 0 HB THR A 50 7.468 -3.466 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.590 -4.831 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.218 -2.545 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.282 -1.346 -3.526 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.525 -2.209 -2.166 1.00 0.00 H new ATOM 799 N ALA A 51 5.335 -0.741 -5.109 1.00 0.00 N ATOM 800 CA ALA A 51 5.376 0.441 -5.946 1.00 0.00 C ATOM 801 C ALA A 51 5.979 1.593 -5.175 1.00 0.00 C ATOM 802 O ALA A 51 6.349 1.441 -4.009 1.00 0.00 O ATOM 803 CB ALA A 51 3.976 0.817 -6.371 1.00 0.00 C ATOM 0 H ALA A 51 5.188 -0.532 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 51 5.983 0.228 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.013 1.706 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.533 -0.006 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.370 1.022 -5.488 1.00 0.00 H new ATOM 809 N PHE A 52 6.070 2.737 -5.827 1.00 0.00 N ATOM 810 CA PHE A 52 6.578 3.948 -5.222 1.00 0.00 C ATOM 811 C PHE A 52 5.648 5.097 -5.543 1.00 0.00 C ATOM 812 O PHE A 52 5.536 5.543 -6.708 1.00 0.00 O ATOM 813 CB PHE A 52 8.003 4.255 -5.693 1.00 0.00 C ATOM 814 CG PHE A 52 9.003 3.193 -5.307 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.486 3.122 -4.009 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.446 2.262 -6.233 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.390 2.143 -3.644 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.349 1.282 -5.871 1.00 0.00 C ATOM 819 CZ PHE A 52 10.821 1.222 -4.576 1.00 0.00 C ATOM 0 H PHE A 52 5.790 2.850 -6.801 1.00 0.00 H new ATOM 0 HA PHE A 52 6.619 3.807 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.003 4.367 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.319 5.210 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.152 3.840 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.081 2.303 -7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.759 2.099 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.686 0.562 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.527 0.455 -4.292 1.00 0.00 H new ATOM 829 N LEU A 53 4.971 5.574 -4.547 1.00 0.00 N ATOM 830 CA LEU A 53 4.003 6.621 -4.724 1.00 0.00 C ATOM 831 C LEU A 53 4.272 7.750 -3.766 1.00 0.00 C ATOM 832 O LEU A 53 4.922 7.562 -2.748 1.00 0.00 O ATOM 833 CB LEU A 53 2.583 6.085 -4.573 1.00 0.00 C ATOM 834 CG LEU A 53 2.130 5.068 -5.629 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.784 4.522 -5.259 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.056 5.712 -7.011 1.00 0.00 C ATOM 0 H LEU A 53 5.071 5.251 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 53 4.096 7.010 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.494 5.622 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.894 6.929 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 53 2.861 4.260 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.465 3.800 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.845 4.031 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.062 5.337 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.733 4.970 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.343 6.536 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.040 6.090 -7.289 1.00 0.00 H new ATOM 848 N GLY A 54 3.822 8.926 -4.117 1.00 0.00 N ATOM 849 CA GLY A 54 4.059 10.063 -3.291 1.00 0.00 C ATOM 850 C GLY A 54 2.896 10.289 -2.380 1.00 0.00 C ATOM 851 O GLY A 54 1.874 9.642 -2.547 1.00 0.00 O ATOM 0 H GLY A 54 3.292 9.113 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.966 9.914 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.222 10.945 -3.911 1.00 0.00 H new ATOM 855 N PRO A 55 2.984 11.245 -1.453 1.00 0.00 N ATOM 856 CA PRO A 55 1.912 11.506 -0.466 1.00 0.00 C ATOM 857 C PRO A 55 0.629 12.032 -1.110 1.00 0.00 C ATOM 858 O PRO A 55 -0.398 12.120 -0.481 1.00 0.00 O ATOM 859 CB PRO A 55 2.529 12.566 0.458 1.00 0.00 C ATOM 860 CG PRO A 55 3.587 13.219 -0.361 1.00 0.00 C ATOM 861 CD PRO A 55 4.133 12.151 -1.261 1.00 0.00 C ATOM 0 HA PRO A 55 1.608 10.595 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.781 13.288 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.948 12.112 1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.177 14.045 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.371 13.633 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.482 12.563 -2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.979 11.636 -0.806 1.00 0.00 H new ATOM 869 N LYS A 56 0.720 12.387 -2.366 1.00 0.00 N ATOM 870 CA LYS A 56 -0.438 12.877 -3.094 1.00 0.00 C ATOM 871 C LYS A 56 -1.063 11.751 -3.911 1.00 0.00 C ATOM 872 O LYS A 56 -2.111 11.904 -4.552 1.00 0.00 O ATOM 873 CB LYS A 56 -0.042 13.997 -4.038 1.00 0.00 C ATOM 874 CG LYS A 56 0.885 13.538 -5.165 1.00 0.00 C ATOM 875 CD LYS A 56 1.127 14.626 -6.189 1.00 0.00 C ATOM 876 CE LYS A 56 1.915 14.089 -7.380 1.00 0.00 C ATOM 877 NZ LYS A 56 1.190 12.992 -8.087 1.00 0.00 N ATOM 0 H LYS A 56 1.581 12.349 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.157 13.251 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.942 14.433 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.451 14.785 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.838 13.222 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.451 12.668 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.173 15.028 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.673 15.449 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.112 14.902 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.882 13.721 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.636 12.820 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.231 12.124 -7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.197 13.267 -8.228 1.00 0.00 H new ATOM 891 N ASP A 57 -0.385 10.658 -3.939 1.00 0.00 N ATOM 892 CA ASP A 57 -0.805 9.533 -4.738 1.00 0.00 C ATOM 893 C ASP A 57 -1.487 8.513 -3.857 1.00 0.00 C ATOM 894 O ASP A 57 -2.124 7.572 -4.355 1.00 0.00 O ATOM 895 CB ASP A 57 0.388 8.861 -5.459 1.00 0.00 C ATOM 896 CG ASP A 57 1.208 9.750 -6.398 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.640 10.668 -7.044 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.463 9.516 -6.521 1.00 0.00 O ATOM 0 H ASP A 57 0.476 10.506 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.494 9.905 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.059 8.454 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.007 8.017 -6.034 1.00 0.00 H new ATOM 903 N ILE A 58 -1.382 8.725 -2.573 1.00 0.00 N ATOM 904 CA ILE A 58 -1.873 7.819 -1.572 1.00 0.00 C ATOM 905 C ILE A 58 -2.807 8.535 -0.626 1.00 0.00 C ATOM 906 O ILE A 58 -2.728 9.746 -0.473 1.00 0.00 O ATOM 907 CB ILE A 58 -0.700 7.236 -0.764 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.125 8.367 -0.154 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.159 6.367 -1.641 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.380 7.922 0.530 1.00 0.00 C ATOM 0 H ILE A 58 -0.939 9.558 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.410 7.015 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.097 6.620 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.387 9.074 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.494 8.904 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.984 5.962 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.440 5.548 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.556 6.961 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.902 8.790 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.129 7.240 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.024 7.412 -0.187 1.00 0.00 H new ATOM 922 N PHE A 59 -3.689 7.783 -0.018 1.00 0.00 N ATOM 923 CA PHE A 59 -4.656 8.310 0.935 1.00 0.00 C ATOM 924 C PHE A 59 -4.816 7.279 2.041 1.00 0.00 C ATOM 925 O PHE A 59 -4.821 6.091 1.753 1.00 0.00 O ATOM 926 CB PHE A 59 -6.015 8.594 0.251 1.00 0.00 C ATOM 927 CG PHE A 59 -5.944 9.621 -0.862 1.00 0.00 C ATOM 928 CD1 PHE A 59 -6.086 10.971 -0.588 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.710 9.233 -2.176 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.996 11.912 -1.597 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.619 10.168 -3.189 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.761 11.510 -2.899 1.00 0.00 C ATOM 0 H PHE A 59 -3.764 6.777 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.303 9.257 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.408 7.661 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.724 8.938 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.269 11.293 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.598 8.184 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.109 12.961 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.437 9.850 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.689 12.245 -3.687 1.00 0.00 H new ATOM 942 N PRO A 60 -4.936 7.697 3.305 1.00 0.00 N ATOM 943 CA PRO A 60 -4.960 6.774 4.450 1.00 0.00 C ATOM 944 C PRO A 60 -6.185 5.849 4.485 1.00 0.00 C ATOM 945 O PRO A 60 -7.340 6.307 4.449 1.00 0.00 O ATOM 946 CB PRO A 60 -4.936 7.698 5.673 1.00 0.00 C ATOM 947 CG PRO A 60 -5.441 9.010 5.185 1.00 0.00 C ATOM 948 CD PRO A 60 -5.068 9.108 3.729 1.00 0.00 C ATOM 0 HA PRO A 60 -4.118 6.084 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.565 7.308 6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.928 7.790 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.521 9.080 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.000 9.829 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.833 9.629 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.136 9.657 3.590 1.00 0.00 H new ATOM 956 N TYR A 61 -5.919 4.552 4.605 1.00 0.00 N ATOM 957 CA TYR A 61 -6.944 3.505 4.672 1.00 0.00 C ATOM 958 C TYR A 61 -7.793 3.713 5.897 1.00 0.00 C ATOM 959 O TYR A 61 -8.968 3.406 5.903 1.00 0.00 O ATOM 960 CB TYR A 61 -6.281 2.099 4.724 1.00 0.00 C ATOM 961 CG TYR A 61 -7.247 0.933 4.962 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.892 0.308 3.908 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.516 0.473 6.253 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.775 -0.733 4.118 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.396 -0.572 6.472 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.022 -1.172 5.400 1.00 0.00 C ATOM 967 OH TYR A 61 -9.915 -2.201 5.612 1.00 0.00 O ATOM 0 H TYR A 61 -4.968 4.188 4.660 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.568 3.563 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.754 1.928 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.531 2.097 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.700 0.642 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.028 0.941 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.270 -1.201 3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.591 -0.916 7.477 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.608 -3.003 5.140 1.00 0.00 H new ATOM 977 N SER A 62 -7.173 4.265 6.911 1.00 0.00 N ATOM 978 CA SER A 62 -7.801 4.539 8.172 1.00 0.00 C ATOM 979 C SER A 62 -9.063 5.395 8.008 1.00 0.00 C ATOM 980 O SER A 62 -10.025 5.212 8.740 1.00 0.00 O ATOM 981 CB SER A 62 -6.786 5.200 9.066 1.00 0.00 C ATOM 982 OG SER A 62 -5.547 4.497 8.970 1.00 0.00 O ATOM 0 H SER A 62 -6.192 4.542 6.877 1.00 0.00 H new ATOM 0 HA SER A 62 -8.135 3.606 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.650 6.241 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.138 5.201 10.098 1.00 0.00 H new ATOM 0 HG SER A 62 -4.882 4.925 9.549 1.00 0.00 H new ATOM 988 N GLU A 63 -9.059 6.325 7.056 1.00 0.00 N ATOM 989 CA GLU A 63 -10.286 7.023 6.765 1.00 0.00 C ATOM 990 C GLU A 63 -11.045 6.203 5.790 1.00 0.00 C ATOM 991 O GLU A 63 -12.094 5.687 6.091 1.00 0.00 O ATOM 992 CB GLU A 63 -10.056 8.273 5.977 1.00 0.00 C ATOM 993 CG GLU A 63 -9.342 9.417 6.567 1.00 0.00 C ATOM 994 CD GLU A 63 -9.289 10.462 5.491 1.00 0.00 C ATOM 995 OE1 GLU A 63 -10.382 10.750 4.895 1.00 0.00 O ATOM 996 OE2 GLU A 63 -8.197 10.918 5.162 1.00 0.00 O ATOM 0 H GLU A 63 -8.250 6.598 6.498 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.767 7.219 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.514 7.988 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.034 8.635 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.862 9.790 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.339 9.131 6.885 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.314 5.902 4.688 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.800 5.402 3.405 1.00 0.00 C ATOM 1005 C ASN A 64 -11.341 4.033 3.465 1.00 0.00 C ATOM 1006 O ASN A 64 -11.640 3.441 2.441 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.699 5.491 2.331 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.447 6.894 1.805 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -10.028 7.298 0.824 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.587 7.642 2.448 1.00 0.00 N ATOM 0 H ASN A 64 -9.300 6.015 4.686 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.633 6.050 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.770 5.100 2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.971 4.846 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.393 8.590 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.110 7.277 3.273 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.496 3.547 4.639 1.00 0.00 N ATOM 1018 CA LYS A 65 -12.095 2.311 4.875 1.00 0.00 C ATOM 1019 C LYS A 65 -13.580 2.447 4.470 1.00 0.00 C ATOM 1020 O LYS A 65 -14.198 1.520 3.963 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.931 1.963 6.347 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.382 0.585 6.711 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.197 0.321 8.202 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.488 -1.132 8.565 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.509 -2.065 7.970 1.00 0.00 N ATOM 0 H LYS A 65 -11.194 4.026 5.487 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.639 1.507 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.881 2.072 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.491 2.684 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.431 0.460 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.818 -0.149 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.176 0.569 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.857 0.976 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.479 -1.242 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.490 -1.395 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.717 -3.034 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.570 -2.018 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.550 -1.801 8.273 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.112 3.637 4.688 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.421 4.000 4.246 1.00 0.00 C ATOM 1041 C GLU A 66 -15.480 4.400 2.765 1.00 0.00 C ATOM 1042 O GLU A 66 -16.481 4.142 2.072 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.049 5.042 5.158 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.145 6.130 5.711 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.541 7.092 4.696 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.487 6.773 4.116 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.075 8.182 4.480 1.00 0.00 O ATOM 0 H GLU A 66 -13.627 4.382 5.187 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.028 3.097 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.858 5.524 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.502 4.521 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.715 6.712 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.330 5.653 6.256 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.421 5.010 2.274 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.357 5.459 0.900 1.00 0.00 C ATOM 1056 C LYS A 67 -14.089 4.346 -0.074 1.00 0.00 C ATOM 1057 O LYS A 67 -14.922 4.044 -0.939 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.349 6.599 0.725 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.808 7.823 1.447 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.965 9.058 1.217 1.00 0.00 C ATOM 1061 CE LYS A 67 -11.904 9.205 2.295 1.00 0.00 C ATOM 1062 NZ LYS A 67 -12.475 9.353 3.665 1.00 0.00 N ATOM 0 H LYS A 67 -13.581 5.208 2.817 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.350 5.843 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.374 6.291 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.224 6.821 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.833 8.040 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.828 7.610 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.488 8.999 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.603 9.941 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.250 8.333 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.285 10.074 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.887 10.010 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.443 9.727 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.494 8.426 4.135 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.997 3.699 0.099 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.564 2.677 -0.853 1.00 0.00 C ATOM 1078 C TYR A 68 -12.418 1.311 -0.195 1.00 0.00 C ATOM 1079 O TYR A 68 -11.989 0.355 -0.824 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.245 3.088 -1.532 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.306 4.416 -2.259 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.836 4.508 -3.538 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.839 5.578 -1.661 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.899 5.719 -4.196 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.897 6.789 -2.311 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.429 6.855 -3.577 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.483 8.056 -4.232 1.00 0.00 O ATOM 0 H TYR A 68 -12.365 3.841 0.887 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.341 2.595 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.461 3.136 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.958 2.312 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.205 3.618 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.422 5.531 -0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.315 5.775 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.527 7.682 -1.830 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.113 8.759 -3.658 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.824 1.219 1.054 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.693 -0.022 1.807 1.00 0.00 C ATOM 1099 C GLY A 69 -13.783 -1.046 1.513 1.00 0.00 C ATOM 1100 O GLY A 69 -13.923 -2.027 2.237 1.00 0.00 O ATOM 0 H GLY A 69 -13.249 1.987 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.723 -0.467 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.704 0.209 2.872 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.556 -0.819 0.471 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.596 -1.744 0.098 1.00 0.00 C ATOM 1106 C LYS A 70 -15.109 -2.655 -1.016 1.00 0.00 C ATOM 1107 O LYS A 70 -14.602 -2.180 -2.041 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.904 -1.030 -0.288 1.00 0.00 C ATOM 1109 CG LYS A 70 -17.490 -0.195 0.844 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.073 1.270 0.787 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.796 2.018 -0.329 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.449 3.459 -0.341 1.00 0.00 N ATOM 0 H LYS A 70 -14.480 0.001 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.828 -2.354 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.718 -0.386 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.638 -1.773 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.578 -0.258 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.177 -0.618 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.287 1.747 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.996 1.336 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.538 1.574 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.873 1.905 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.241 4.004 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.261 3.779 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.601 3.607 -0.924 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.230 -3.978 -0.825 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.728 -4.947 -1.773 1.00 0.00 C ATOM 1128 C PRO A 71 -15.416 -4.931 -3.128 1.00 0.00 C ATOM 1129 O PRO A 71 -16.643 -5.053 -3.258 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.924 -6.296 -1.096 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.927 -6.071 -0.018 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.851 -4.617 0.354 1.00 0.00 C ATOM 0 HA PRO A 71 -13.689 -4.717 -2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.277 -7.042 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.985 -6.666 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.928 -6.329 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.714 -6.702 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.839 -4.205 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.252 -4.466 1.252 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.598 -4.852 -4.125 1.00 0.00 N ATOM 1141 CA ASN A 72 -15.032 -4.868 -5.504 1.00 0.00 C ATOM 1142 C ASN A 72 -14.779 -6.226 -6.073 1.00 0.00 C ATOM 1143 O ASN A 72 -14.734 -7.209 -5.333 1.00 0.00 O ATOM 1144 CB ASN A 72 -14.335 -3.777 -6.342 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.869 -3.683 -6.116 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -12.107 -4.370 -6.740 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.474 -2.809 -5.239 1.00 0.00 N ATOM 0 H ASN A 72 -13.587 -4.773 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.099 -4.647 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.517 -3.974 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.790 -2.813 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.478 -2.684 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.160 -2.248 -4.733 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.672 -6.320 -7.359 1.00 0.00 N ATOM 1155 CA LYS A 73 -14.443 -7.583 -7.973 1.00 0.00 C ATOM 1156 C LYS A 73 -13.038 -7.683 -8.518 1.00 0.00 C ATOM 1157 O LYS A 73 -12.734 -8.571 -9.305 1.00 0.00 O ATOM 1158 CB LYS A 73 -15.528 -7.890 -9.013 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.930 -7.981 -8.392 1.00 0.00 C ATOM 1160 CD LYS A 73 -17.024 -9.136 -7.386 1.00 0.00 C ATOM 1161 CE LYS A 73 -18.315 -9.090 -6.577 1.00 0.00 C ATOM 1162 NZ LYS A 73 -18.362 -7.903 -5.670 1.00 0.00 N ATOM 0 H LYS A 73 -14.740 -5.533 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.521 -8.360 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.523 -7.114 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.293 -8.831 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.170 -7.042 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.670 -8.122 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.964 -10.085 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.171 -9.096 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.168 -9.063 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.406 -10.002 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.115 -8.035 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.448 -7.800 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.556 -7.047 -6.228 1.00 0.00 H new ATOM 1176 N ARG A 74 -12.155 -6.777 -8.092 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.761 -6.959 -8.460 1.00 0.00 C ATOM 1178 C ARG A 74 -10.140 -7.983 -7.536 1.00 0.00 C ATOM 1179 O ARG A 74 -10.177 -7.836 -6.309 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.952 -5.652 -8.459 1.00 0.00 C ATOM 1181 CG ARG A 74 -10.372 -4.656 -9.536 1.00 0.00 C ATOM 1182 CD ARG A 74 -10.176 -5.233 -10.938 1.00 0.00 C ATOM 1183 NE ARG A 74 -10.602 -4.293 -11.996 1.00 0.00 N ATOM 1184 CZ ARG A 74 -10.652 -4.578 -13.317 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -10.327 -5.802 -13.758 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -11.036 -3.637 -14.190 1.00 0.00 N ATOM 0 H ARG A 74 -12.367 -5.957 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.734 -7.315 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.051 -5.177 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.897 -5.891 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.419 -4.386 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.790 -3.740 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.125 -5.486 -11.081 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.742 -6.160 -11.029 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.880 -3.355 -11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.040 -6.523 -13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.366 -6.012 -14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.290 -2.707 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.074 -3.851 -15.187 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.632 -9.041 -8.108 1.00 0.00 N ATOM 1201 CA LYS A 75 -9.023 -10.072 -7.330 1.00 0.00 C ATOM 1202 C LYS A 75 -7.670 -9.595 -6.830 1.00 0.00 C ATOM 1203 O LYS A 75 -6.843 -9.108 -7.603 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.958 -11.396 -8.121 1.00 0.00 C ATOM 1205 CG LYS A 75 -8.459 -12.598 -7.313 1.00 0.00 C ATOM 1206 CD LYS A 75 -9.151 -12.693 -5.947 1.00 0.00 C ATOM 1207 CE LYS A 75 -10.670 -12.846 -6.020 1.00 0.00 C ATOM 1208 NZ LYS A 75 -11.304 -12.555 -4.705 1.00 0.00 N ATOM 0 H LYS A 75 -9.631 -9.207 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.633 -10.287 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.952 -11.622 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.305 -11.258 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.638 -13.514 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.381 -12.518 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.738 -13.542 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.915 -11.799 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.070 -12.171 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.922 -13.860 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.064 -13.242 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.590 -12.625 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.702 -11.594 -4.717 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.486 -9.694 -5.536 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.335 -9.162 -4.889 1.00 0.00 C ATOM 1224 C GLY A 76 -6.735 -7.949 -4.089 1.00 0.00 C ATOM 1225 O GLY A 76 -6.122 -7.619 -3.091 1.00 0.00 O ATOM 0 H GLY A 76 -8.144 -10.153 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.890 -9.913 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.579 -8.893 -5.627 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.814 -7.306 -4.513 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.308 -6.135 -3.831 1.00 0.00 C ATOM 1231 C PHE A 77 -9.028 -6.589 -2.573 1.00 0.00 C ATOM 1232 O PHE A 77 -8.821 -6.050 -1.490 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.265 -5.354 -4.736 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.526 -3.939 -4.305 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.260 -3.649 -3.166 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -9.021 -2.899 -5.045 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.483 -2.339 -2.781 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.238 -1.592 -4.670 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.970 -1.310 -3.536 1.00 0.00 C ATOM 0 H PHE A 77 -8.360 -7.582 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.479 -5.476 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.858 -5.342 -5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.215 -5.886 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.663 -4.456 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.445 -3.109 -5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.057 -2.125 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.834 -0.786 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.140 -0.285 -3.242 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.882 -7.598 -2.747 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.652 -8.215 -1.649 1.00 0.00 C ATOM 1251 C ASN A 78 -9.695 -8.701 -0.591 1.00 0.00 C ATOM 1252 O ASN A 78 -9.802 -8.352 0.586 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.442 -9.446 -2.155 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.361 -9.190 -3.335 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.560 -10.074 -4.180 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.938 -8.019 -3.406 1.00 0.00 N ATOM 0 H ASN A 78 -10.065 -8.018 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.342 -7.468 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.731 -10.224 -2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.038 -9.838 -1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.575 -7.810 -4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.751 -7.314 -2.693 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.747 -9.471 -1.052 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.727 -10.084 -0.247 1.00 0.00 C ATOM 1265 C GLU A 79 -6.888 -9.020 0.441 1.00 0.00 C ATOM 1266 O GLU A 79 -6.573 -9.127 1.625 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.840 -10.971 -1.135 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.533 -12.207 -1.754 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.722 -11.900 -2.669 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.704 -10.863 -3.405 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -9.686 -12.689 -2.697 1.00 0.00 O ATOM 0 H GLU A 79 -8.661 -9.698 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.196 -10.699 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.440 -10.359 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.991 -11.312 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.794 -12.771 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.875 -12.854 -0.946 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.583 -7.966 -0.298 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.787 -6.889 0.224 1.00 0.00 C ATOM 1280 C GLY A 80 -6.490 -6.126 1.304 1.00 0.00 C ATOM 1281 O GLY A 80 -5.863 -5.722 2.275 1.00 0.00 O ATOM 0 H GLY A 80 -6.881 -7.841 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.852 -7.290 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.527 -6.208 -0.587 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.800 -5.938 1.147 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.612 -5.278 2.167 1.00 0.00 C ATOM 1287 C LEU A 81 -8.562 -6.057 3.458 1.00 0.00 C ATOM 1288 O LEU A 81 -8.573 -5.474 4.534 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.067 -5.115 1.723 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.334 -4.148 0.574 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.802 -4.179 0.213 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -9.919 -2.732 0.953 1.00 0.00 C ATOM 0 H LEU A 81 -8.321 -6.234 0.322 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.194 -4.283 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.446 -6.096 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.650 -4.788 2.584 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.743 -4.458 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.989 -3.487 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.081 -5.188 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.396 -3.884 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.118 -2.059 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.487 -2.407 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.854 -2.715 1.187 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.490 -7.374 3.339 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.378 -8.226 4.485 1.00 0.00 C ATOM 1306 C TRP A 82 -6.986 -8.087 5.090 1.00 0.00 C ATOM 1307 O TRP A 82 -6.846 -7.831 6.286 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.667 -9.689 4.104 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.471 -10.648 5.238 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.361 -10.947 6.214 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.302 -11.424 5.505 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.812 -11.856 7.089 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.547 -12.167 6.668 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.074 -11.554 4.867 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.601 -13.032 7.212 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.131 -12.411 5.399 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.399 -13.141 6.564 1.00 0.00 C ATOM 0 H TRP A 82 -8.508 -7.868 2.447 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.117 -7.924 5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.693 -9.767 3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.017 -9.977 3.278 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.355 -10.533 6.294 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.272 -12.236 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.861 -10.993 3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.807 -13.595 8.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.174 -12.520 4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.643 -13.803 6.959 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.968 -8.223 4.249 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.580 -8.148 4.682 1.00 0.00 C ATOM 1330 C GLU A 83 -4.256 -6.865 5.396 1.00 0.00 C ATOM 1331 O GLU A 83 -3.770 -6.902 6.495 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.592 -8.372 3.540 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.505 -9.802 3.069 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.316 -10.048 2.152 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.177 -9.359 1.123 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.478 -10.914 2.467 1.00 0.00 O ATOM 0 H GLU A 83 -6.082 -8.388 3.249 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.467 -8.965 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.878 -7.741 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.603 -8.046 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.434 -10.461 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.424 -10.064 2.544 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.594 -5.750 4.811 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.220 -4.460 5.373 1.00 0.00 C ATOM 1345 C ILE A 84 -4.926 -4.174 6.717 1.00 0.00 C ATOM 1346 O ILE A 84 -4.391 -3.476 7.572 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.485 -3.309 4.354 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -3.878 -1.999 4.849 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -5.982 -3.138 4.082 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -3.953 -0.873 3.854 1.00 0.00 C ATOM 0 H ILE A 84 -5.128 -5.697 3.944 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.150 -4.505 5.578 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.003 -3.582 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.389 -1.697 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.834 -2.170 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.132 -2.328 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.385 -4.063 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.496 -2.900 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.501 0.022 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.417 -1.152 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.996 -0.671 3.611 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.075 -4.780 6.907 1.00 0.00 N ATOM 1363 CA ASP A 85 -6.913 -4.501 8.072 1.00 0.00 C ATOM 1364 C ASP A 85 -6.611 -5.488 9.202 1.00 0.00 C ATOM 1365 O ASP A 85 -6.884 -5.233 10.363 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.371 -4.619 7.634 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.365 -3.924 8.541 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.155 -2.725 8.871 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.470 -4.468 8.771 1.00 0.00 O ATOM 0 H ASP A 85 -6.461 -5.476 6.270 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.711 -3.499 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.468 -4.208 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.633 -5.675 7.573 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.003 -6.607 8.842 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.709 -7.672 9.809 1.00 0.00 C ATOM 1376 C ASN A 86 -4.223 -7.844 10.002 1.00 0.00 C ATOM 1377 O ASN A 86 -3.702 -7.749 11.122 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.334 -9.007 9.371 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.844 -9.009 9.460 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.420 -9.428 10.457 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.489 -8.534 8.432 1.00 0.00 N ATOM 0 H ASN A 86 -5.700 -6.809 7.889 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.150 -7.373 10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.036 -9.222 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.938 -9.809 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.508 -8.502 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.974 -8.194 7.620 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.510 -8.086 8.929 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.078 -8.270 9.042 1.00 0.00 C ATOM 1390 C ASN A 87 -1.323 -7.365 8.061 1.00 0.00 C ATOM 1391 O ASN A 87 -0.829 -7.820 7.048 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.678 -9.736 8.831 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.224 -9.977 9.179 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.327 -9.322 10.084 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.414 -10.883 8.478 1.00 0.00 N ATOM 0 H ASN A 87 -3.885 -8.160 7.983 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.798 -7.987 10.057 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.310 -10.377 9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.854 -10.015 7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.398 -11.073 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.074 -11.398 7.745 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.226 -6.055 8.354 1.00 0.00 N ATOM 1403 CA PRO A 88 -0.582 -5.078 7.447 1.00 0.00 C ATOM 1404 C PRO A 88 0.941 -5.250 7.344 1.00 0.00 C ATOM 1405 O PRO A 88 1.599 -4.590 6.554 1.00 0.00 O ATOM 1406 CB PRO A 88 -0.900 -3.736 8.101 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.125 -4.046 9.535 1.00 0.00 C ATOM 1408 CD PRO A 88 -1.778 -5.389 9.559 1.00 0.00 C ATOM 0 HA PRO A 88 -0.947 -5.191 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.078 -3.032 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.783 -3.279 7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.184 -4.058 10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.759 -3.294 10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.536 -5.938 10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.864 -5.310 9.513 1.00 0.00 H new ATOM 1416 N LYS A 89 1.493 -6.132 8.149 1.00 0.00 N ATOM 1417 CA LYS A 89 2.931 -6.325 8.184 1.00 0.00 C ATOM 1418 C LYS A 89 3.316 -7.524 7.312 1.00 0.00 C ATOM 1419 O LYS A 89 4.472 -7.932 7.274 1.00 0.00 O ATOM 1420 CB LYS A 89 3.387 -6.546 9.643 1.00 0.00 C ATOM 1421 CG LYS A 89 3.024 -7.917 10.221 1.00 0.00 C ATOM 1422 CD LYS A 89 3.269 -7.998 11.724 1.00 0.00 C ATOM 1423 CE LYS A 89 2.160 -7.310 12.520 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.863 -8.054 12.425 1.00 0.00 N ATOM 0 H LYS A 89 0.969 -6.729 8.790 1.00 0.00 H new ATOM 0 HA LYS A 89 3.428 -5.438 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.468 -6.418 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.944 -5.772 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.975 -8.129 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.609 -8.687 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.337 -9.043 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.227 -7.535 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.458 -7.231 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.024 -6.294 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.097 -7.388 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.929 -8.773 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.662 -8.518 13.334 1.00 0.00 H new