USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 808 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 60 SER OG : rot 180:sc= -0.191 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -149:sc= -3.11! (180deg=-4.17!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.178 X(o=-0.17,f=0.005) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.0035 K(o=-0.17,f=-1.1) USER MOD Single : A 13 SER OG : rot -163:sc= 0.135 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 1.87 (180deg=1.77) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0674 (180deg=-0.44) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 172:sc= -1.77 (180deg=-1.98) USER MOD Single : A 31 ASN : amide:sc= 0.181 K(o=0.18,f=-6.4!) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0396 (180deg=-0.274) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= -0.0109 (180deg=-0.127) USER MOD Single : A 39 CYS SG : rot -41:sc= 0.294 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= -0.0275 (180deg=-2.26!) USER MOD Single : A 42 CYS SG : rot 140:sc= -3.11! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.512 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00556) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc=-0.00292 (180deg=-0.0997) USER MOD Single : A 66 SER OG : rot -47:sc= 0.609 USER MOD Single : A 71 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.35) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0085 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.14) USER MOD Single : A 84 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= -0.405 (180deg=-0.543) USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 1.53 (180deg=1.5) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc=-0.00898 (180deg=-0.171) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.181) USER MOD Single : A 100 CYS SG : rot 87:sc=-0.000426 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.51 (180deg=1.35) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.582 0.714 -0.127 1.00 0.00 N ATOM 78 CA ILE A 7 13.465 -0.500 0.685 1.00 0.00 C ATOM 79 C ILE A 7 13.257 -1.739 -0.204 1.00 0.00 C ATOM 80 O ILE A 7 12.164 -1.971 -0.730 1.00 0.00 O ATOM 81 CB ILE A 7 12.301 -0.385 1.705 1.00 0.00 C ATOM 82 CG1 ILE A 7 12.477 0.861 2.590 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.205 -1.644 2.568 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.760 0.867 3.401 1.00 0.00 C ATOM 0 HA ILE A 7 14.399 -0.613 1.235 1.00 0.00 H new ATOM 0 HB ILE A 7 11.371 -0.284 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.455 1.749 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.629 0.933 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.382 -1.539 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.027 -2.510 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.138 -1.782 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.809 1.778 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.777 -0.000 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 7 14.616 0.828 2.728 1.00 0.00 H new ATOM 96 N ALA A 8 14.315 -2.535 -0.360 1.00 0.00 N ATOM 97 CA ALA A 8 14.287 -3.727 -1.223 1.00 0.00 C ATOM 98 C ALA A 8 13.137 -4.679 -0.860 1.00 0.00 C ATOM 99 O ALA A 8 12.505 -5.274 -1.740 1.00 0.00 O ATOM 100 CB ALA A 8 15.622 -4.458 -1.144 1.00 0.00 C ATOM 0 H ALA A 8 15.211 -2.378 0.102 1.00 0.00 H new ATOM 0 HA ALA A 8 14.116 -3.389 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.593 -5.339 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.421 -3.794 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.809 -4.765 -0.115 1.00 0.00 H new ATOM 106 N GLY A 9 12.871 -4.821 0.436 1.00 0.00 N ATOM 107 CA GLY A 9 11.763 -5.653 0.892 1.00 0.00 C ATOM 108 C GLY A 9 10.391 -5.070 0.553 1.00 0.00 C ATOM 109 O GLY A 9 9.415 -5.806 0.400 1.00 0.00 O ATOM 0 H GLY A 9 13.403 -4.374 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.851 -6.642 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.837 -5.786 1.971 1.00 0.00 H new ATOM 113 N LEU A 10 10.317 -3.744 0.423 1.00 0.00 N ATOM 114 CA LEU A 10 9.054 -3.066 0.106 1.00 0.00 C ATOM 115 C LEU A 10 8.685 -3.260 -1.369 1.00 0.00 C ATOM 116 O LEU A 10 7.569 -3.670 -1.688 1.00 0.00 O ATOM 117 CB LEU A 10 9.149 -1.569 0.436 1.00 0.00 C ATOM 118 CG LEU A 10 7.847 -0.766 0.242 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.745 -1.282 1.165 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.093 0.725 0.472 1.00 0.00 C ATOM 0 H LEU A 10 11.114 -3.117 0.532 1.00 0.00 H new ATOM 0 HA LEU A 10 8.269 -3.511 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.471 -1.462 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.926 -1.125 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 10 7.515 -0.903 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.837 -0.699 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.546 -2.330 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.064 -1.185 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.162 1.274 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.455 0.882 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.838 1.085 -0.238 1.00 0.00 H new ATOM 132 N GLU A 11 9.628 -2.968 -2.267 1.00 0.00 N ATOM 133 CA GLU A 11 9.409 -3.185 -3.702 1.00 0.00 C ATOM 134 C GLU A 11 9.181 -4.676 -4.007 1.00 0.00 C ATOM 135 O GLU A 11 8.472 -5.024 -4.954 1.00 0.00 O ATOM 136 CB GLU A 11 10.587 -2.653 -4.534 1.00 0.00 C ATOM 137 CG GLU A 11 11.893 -3.412 -4.323 1.00 0.00 C ATOM 138 CD GLU A 11 12.933 -3.142 -5.404 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.564 -2.638 -6.487 1.00 0.00 O ATOM 140 OE2 GLU A 11 14.118 -3.475 -5.189 1.00 0.00 O ATOM 0 H GLU A 11 10.543 -2.584 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 11 8.513 -2.630 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.321 -2.697 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.746 -1.603 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.309 -3.140 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.682 -4.481 -4.291 1.00 0.00 H new ATOM 147 N GLU A 12 9.790 -5.556 -3.202 1.00 0.00 N ATOM 148 CA GLU A 12 9.566 -7.000 -3.337 1.00 0.00 C ATOM 149 C GLU A 12 8.101 -7.342 -3.047 1.00 0.00 C ATOM 150 O GLU A 12 7.440 -8.005 -3.842 1.00 0.00 O ATOM 151 CB GLU A 12 10.479 -7.802 -2.392 1.00 0.00 C ATOM 152 CG GLU A 12 10.327 -9.317 -2.549 1.00 0.00 C ATOM 153 CD GLU A 12 11.094 -10.115 -1.503 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.290 -10.410 -1.729 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.496 -10.463 -0.458 1.00 0.00 O ATOM 0 H GLU A 12 10.436 -5.296 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 12 9.807 -7.275 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.517 -7.526 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.257 -7.526 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.270 -9.576 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.671 -9.608 -3.541 1.00 0.00 H new ATOM 162 N SER A 13 7.601 -6.880 -1.902 1.00 0.00 N ATOM 163 CA SER A 13 6.198 -7.093 -1.524 1.00 0.00 C ATOM 164 C SER A 13 5.240 -6.418 -2.511 1.00 0.00 C ATOM 165 O SER A 13 4.195 -6.977 -2.850 1.00 0.00 O ATOM 166 CB SER A 13 5.929 -6.574 -0.109 1.00 0.00 C ATOM 167 OG SER A 13 6.681 -7.294 0.851 1.00 0.00 O ATOM 0 H SER A 13 8.144 -6.355 -1.217 1.00 0.00 H new ATOM 0 HA SER A 13 6.019 -8.168 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.181 -5.515 -0.053 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.866 -6.661 0.117 1.00 0.00 H new ATOM 0 HG SER A 13 6.301 -7.146 1.742 1.00 0.00 H new ATOM 173 N PHE A 14 5.597 -5.217 -2.971 1.00 0.00 N ATOM 174 CA PHE A 14 4.791 -4.511 -3.973 1.00 0.00 C ATOM 175 C PHE A 14 4.562 -5.400 -5.201 1.00 0.00 C ATOM 176 O PHE A 14 3.434 -5.589 -5.638 1.00 0.00 O ATOM 177 CB PHE A 14 5.461 -3.195 -4.396 1.00 0.00 C ATOM 178 CG PHE A 14 4.673 -2.435 -5.437 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.561 -1.692 -5.076 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.033 -2.481 -6.776 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.826 -1.009 -6.024 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.298 -1.803 -7.731 1.00 0.00 C ATOM 183 CZ PHE A 14 3.194 -1.063 -7.353 1.00 0.00 C ATOM 0 H PHE A 14 6.432 -4.715 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 14 3.828 -4.276 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.594 -2.564 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.455 -3.410 -4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.265 -1.646 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.898 -3.054 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.963 -0.432 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.586 -1.852 -8.771 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.621 -0.528 -8.096 1.00 0.00 H new ATOM 193 N ARG A 15 5.646 -5.946 -5.747 1.00 0.00 N ATOM 194 CA ARG A 15 5.557 -6.899 -6.859 1.00 0.00 C ATOM 195 C ARG A 15 4.816 -8.173 -6.440 1.00 0.00 C ATOM 196 O ARG A 15 3.948 -8.663 -7.156 1.00 0.00 O ATOM 197 CB ARG A 15 6.961 -7.253 -7.358 1.00 0.00 C ATOM 198 CG ARG A 15 7.649 -6.103 -8.068 1.00 0.00 C ATOM 199 CD ARG A 15 9.097 -6.422 -8.416 1.00 0.00 C ATOM 200 NE ARG A 15 9.687 -5.380 -9.252 1.00 0.00 N ATOM 201 CZ ARG A 15 10.365 -4.365 -8.798 1.00 0.00 C ATOM 202 NH1 ARG A 15 10.571 -4.220 -7.528 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.838 -3.491 -9.619 1.00 0.00 N ATOM 0 H ARG A 15 6.598 -5.747 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 15 4.993 -6.428 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.572 -7.567 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.895 -8.103 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.103 -5.863 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.617 -5.216 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.678 -6.528 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.145 -7.379 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 15 9.559 -5.452 -10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.201 -4.905 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.104 -3.420 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.681 -3.595 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.369 -2.695 -9.266 1.00 0.00 H new ATOM 217 N LYS A 16 5.155 -8.675 -5.257 1.00 0.00 N ATOM 218 CA LYS A 16 4.579 -9.911 -4.715 1.00 0.00 C ATOM 219 C LYS A 16 3.038 -9.869 -4.733 1.00 0.00 C ATOM 220 O LYS A 16 2.376 -10.890 -4.928 1.00 0.00 O ATOM 221 CB LYS A 16 5.099 -10.108 -3.282 1.00 0.00 C ATOM 222 CG LYS A 16 5.198 -11.560 -2.831 1.00 0.00 C ATOM 223 CD LYS A 16 5.799 -11.674 -1.429 1.00 0.00 C ATOM 224 CE LYS A 16 7.181 -11.028 -1.334 1.00 0.00 C ATOM 225 NZ LYS A 16 7.814 -11.243 0.000 1.00 0.00 N ATOM 0 H LYS A 16 5.840 -8.237 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 16 4.883 -10.751 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.085 -9.650 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.442 -9.573 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.207 -12.013 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.811 -12.120 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.130 -11.201 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.873 -12.726 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.826 -11.439 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.094 -9.958 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.803 -10.923 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.297 -10.701 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.784 -12.255 0.240 1.00 0.00 H new ATOM 239 N PHE A 17 2.481 -8.680 -4.519 1.00 0.00 N ATOM 240 CA PHE A 17 1.034 -8.463 -4.639 1.00 0.00 C ATOM 241 C PHE A 17 0.635 -7.980 -6.047 1.00 0.00 C ATOM 242 O PHE A 17 -0.392 -8.388 -6.574 1.00 0.00 O ATOM 243 CB PHE A 17 0.561 -7.442 -3.593 1.00 0.00 C ATOM 244 CG PHE A 17 0.401 -8.007 -2.204 1.00 0.00 C ATOM 245 CD1 PHE A 17 1.503 -8.212 -1.381 1.00 0.00 C ATOM 246 CD2 PHE A 17 -0.858 -8.323 -1.716 1.00 0.00 C ATOM 247 CE1 PHE A 17 1.348 -8.721 -0.105 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.019 -8.829 -0.443 1.00 0.00 C ATOM 249 CZ PHE A 17 0.084 -9.028 0.365 1.00 0.00 C ATOM 0 H PHE A 17 3.009 -7.846 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 17 0.549 -9.424 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.274 -6.618 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.393 -7.024 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.492 -7.971 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.725 -8.171 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.212 -8.879 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.007 -9.070 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.041 -9.423 1.362 1.00 0.00 H new ATOM 259 N ALA A 18 1.451 -7.114 -6.647 1.00 0.00 N ATOM 260 CA ALA A 18 1.132 -6.503 -7.950 1.00 0.00 C ATOM 261 C ALA A 18 0.911 -7.547 -9.051 1.00 0.00 C ATOM 262 O ALA A 18 -0.009 -7.420 -9.861 1.00 0.00 O ATOM 263 CB ALA A 18 2.235 -5.533 -8.364 1.00 0.00 C ATOM 0 H ALA A 18 2.344 -6.815 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 18 0.195 -5.961 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.986 -5.089 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.327 -4.746 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.180 -6.070 -8.445 1.00 0.00 H new ATOM 269 N ILE A 19 1.749 -8.580 -9.074 1.00 0.00 N ATOM 270 CA ILE A 19 1.656 -9.627 -10.099 1.00 0.00 C ATOM 271 C ILE A 19 0.611 -10.705 -9.735 1.00 0.00 C ATOM 272 O ILE A 19 0.523 -11.748 -10.387 1.00 0.00 O ATOM 273 CB ILE A 19 3.036 -10.294 -10.351 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.565 -10.980 -9.078 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.041 -9.254 -10.854 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.839 -11.773 -9.295 1.00 0.00 C ATOM 0 H ILE A 19 2.500 -8.718 -8.398 1.00 0.00 H new ATOM 0 HA ILE A 19 1.329 -9.135 -11.015 1.00 0.00 H new ATOM 0 HB ILE A 19 2.907 -11.061 -11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.745 -10.222 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.795 -11.646 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.005 -9.733 -11.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.679 -8.819 -11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.156 -8.468 -10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.150 -12.227 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.660 -12.555 -10.033 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.625 -11.108 -9.654 1.00 0.00 H new ATOM 288 N HIS A 20 -0.190 -10.435 -8.701 1.00 0.00 N ATOM 289 CA HIS A 20 -1.265 -11.340 -8.275 1.00 0.00 C ATOM 290 C HIS A 20 -2.530 -11.128 -9.130 1.00 0.00 C ATOM 291 O HIS A 20 -3.001 -9.999 -9.296 1.00 0.00 O ATOM 292 CB HIS A 20 -1.582 -11.105 -6.789 1.00 0.00 C ATOM 293 CG HIS A 20 -2.699 -11.944 -6.241 1.00 0.00 C ATOM 294 ND1 HIS A 20 -2.494 -13.057 -5.454 1.00 0.00 N ATOM 295 CD2 HIS A 20 -4.046 -11.802 -6.331 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.655 -13.558 -5.085 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.613 -12.817 -5.601 1.00 0.00 N ATOM 0 H HIS A 20 -0.114 -9.588 -8.137 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.931 -12.368 -8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.682 -11.298 -6.205 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.834 -10.054 -6.648 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.574 -11.033 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.797 -14.430 -4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.614 -12.972 -5.478 1.00 0.00 H new ATOM 306 N GLY A 21 -3.078 -12.212 -9.669 1.00 0.00 N ATOM 307 CA GLY A 21 -4.250 -12.112 -10.538 1.00 0.00 C ATOM 308 C GLY A 21 -3.882 -11.783 -11.980 1.00 0.00 C ATOM 309 O GLY A 21 -4.351 -12.436 -12.911 1.00 0.00 O ATOM 0 H GLY A 21 -2.735 -13.162 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.799 -13.054 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.919 -11.343 -10.153 1.00 0.00 H new ATOM 313 N ASP A 22 -3.048 -10.760 -12.158 1.00 0.00 N ATOM 314 CA ASP A 22 -2.529 -10.394 -13.477 1.00 0.00 C ATOM 315 C ASP A 22 -1.171 -11.072 -13.751 1.00 0.00 C ATOM 316 O ASP A 22 -0.131 -10.611 -13.280 1.00 0.00 O ATOM 317 CB ASP A 22 -2.385 -8.873 -13.579 1.00 0.00 C ATOM 318 CG ASP A 22 -3.718 -8.171 -13.768 1.00 0.00 C ATOM 319 OD1 ASP A 22 -4.557 -8.202 -12.843 1.00 0.00 O ATOM 320 OD2 ASP A 22 -3.938 -7.587 -14.850 1.00 0.00 O ATOM 0 H ASP A 22 -2.714 -10.165 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.238 -10.741 -14.228 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.905 -8.496 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.729 -8.629 -14.414 1.00 0.00 H new ATOM 325 N PRO A 23 -1.158 -12.170 -14.536 1.00 0.00 N ATOM 326 CA PRO A 23 0.073 -12.933 -14.814 1.00 0.00 C ATOM 327 C PRO A 23 0.988 -12.253 -15.846 1.00 0.00 C ATOM 328 O PRO A 23 2.011 -12.813 -16.254 1.00 0.00 O ATOM 329 CB PRO A 23 -0.472 -14.256 -15.363 1.00 0.00 C ATOM 330 CG PRO A 23 -1.742 -13.872 -16.045 1.00 0.00 C ATOM 331 CD PRO A 23 -2.333 -12.755 -15.219 1.00 0.00 C ATOM 0 HA PRO A 23 0.700 -13.034 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.229 -14.718 -16.058 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.651 -14.976 -14.564 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.553 -13.544 -17.067 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.426 -14.719 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.841 -12.020 -15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.067 -13.129 -14.505 1.00 0.00 H new ATOM 339 N LYS A 24 0.613 -11.048 -16.274 1.00 0.00 N ATOM 340 CA LYS A 24 1.391 -10.293 -17.265 1.00 0.00 C ATOM 341 C LYS A 24 1.994 -9.017 -16.661 1.00 0.00 C ATOM 342 O LYS A 24 2.610 -8.217 -17.367 1.00 0.00 O ATOM 343 CB LYS A 24 0.496 -9.932 -18.458 1.00 0.00 C ATOM 344 CG LYS A 24 -0.188 -11.133 -19.102 1.00 0.00 C ATOM 345 CD LYS A 24 0.816 -12.124 -19.687 1.00 0.00 C ATOM 346 CE LYS A 24 0.115 -13.289 -20.373 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.797 -12.824 -21.453 1.00 0.00 N ATOM 0 H LYS A 24 -0.228 -10.569 -15.951 1.00 0.00 H new ATOM 0 HA LYS A 24 2.215 -10.925 -17.597 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.266 -9.226 -18.128 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.098 -9.422 -19.210 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.805 -11.639 -18.359 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.857 -10.788 -19.890 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.459 -11.612 -20.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.460 -12.502 -18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.860 -13.966 -20.792 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.453 -13.857 -19.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.031 -13.622 -22.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.670 -12.447 -21.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.329 -12.078 -22.005 1.00 0.00 H new ATOM 361 N ALA A 25 1.813 -8.825 -15.356 1.00 0.00 N ATOM 362 CA ALA A 25 2.327 -7.634 -14.672 1.00 0.00 C ATOM 363 C ALA A 25 3.849 -7.709 -14.465 1.00 0.00 C ATOM 364 O ALA A 25 4.374 -8.726 -14.010 1.00 0.00 O ATOM 365 CB ALA A 25 1.617 -7.445 -13.335 1.00 0.00 C ATOM 0 H ALA A 25 1.315 -9.476 -14.749 1.00 0.00 H new ATOM 0 HA ALA A 25 2.124 -6.773 -15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.008 -6.557 -12.838 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.547 -7.324 -13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.788 -8.318 -12.706 1.00 0.00 H new ATOM 371 N SER A 26 4.553 -6.629 -14.809 1.00 0.00 N ATOM 372 CA SER A 26 6.017 -6.573 -14.643 1.00 0.00 C ATOM 373 C SER A 26 6.407 -6.339 -13.180 1.00 0.00 C ATOM 374 O SER A 26 7.417 -6.864 -12.702 1.00 0.00 O ATOM 375 CB SER A 26 6.622 -5.470 -15.523 1.00 0.00 C ATOM 376 OG SER A 26 6.327 -5.692 -16.894 1.00 0.00 O ATOM 0 H SER A 26 4.141 -5.783 -15.203 1.00 0.00 H new ATOM 0 HA SER A 26 6.416 -7.538 -14.955 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.231 -4.500 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.702 -5.438 -15.381 1.00 0.00 H new ATOM 0 HG SER A 26 6.722 -4.975 -17.434 1.00 0.00 H new ATOM 382 N GLY A 27 5.612 -5.536 -12.473 1.00 0.00 N ATOM 383 CA GLY A 27 5.850 -5.309 -11.049 1.00 0.00 C ATOM 384 C GLY A 27 5.949 -3.836 -10.657 1.00 0.00 C ATOM 385 O GLY A 27 6.427 -3.513 -9.571 1.00 0.00 O ATOM 0 H GLY A 27 4.809 -5.038 -12.857 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.044 -5.771 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.773 -5.813 -10.762 1.00 0.00 H new ATOM 389 N GLN A 28 5.503 -2.941 -11.535 1.00 0.00 N ATOM 390 CA GLN A 28 5.494 -1.502 -11.235 1.00 0.00 C ATOM 391 C GLN A 28 4.064 -0.946 -11.144 1.00 0.00 C ATOM 392 O GLN A 28 3.868 0.205 -10.755 1.00 0.00 O ATOM 393 CB GLN A 28 6.290 -0.726 -12.294 1.00 0.00 C ATOM 394 CG GLN A 28 7.774 -1.084 -12.340 1.00 0.00 C ATOM 395 CD GLN A 28 8.541 -0.274 -13.373 1.00 0.00 C ATOM 396 OE1 GLN A 28 8.665 -0.669 -14.529 1.00 0.00 O ATOM 397 NE2 GLN A 28 9.057 0.869 -12.970 1.00 0.00 N ATOM 0 H GLN A 28 5.143 -3.181 -12.459 1.00 0.00 H new ATOM 0 HA GLN A 28 5.967 -1.372 -10.262 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.851 -0.914 -13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.190 0.342 -12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.214 -0.920 -11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.881 -2.145 -12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.937 1.170 -12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.577 1.453 -13.625 1.00 0.00 H new ATOM 406 N GLU A 29 3.073 -1.766 -11.498 1.00 0.00 N ATOM 407 CA GLU A 29 1.660 -1.362 -11.449 1.00 0.00 C ATOM 408 C GLU A 29 0.840 -2.328 -10.574 1.00 0.00 C ATOM 409 O GLU A 29 1.012 -3.546 -10.653 1.00 0.00 O ATOM 410 CB GLU A 29 1.072 -1.327 -12.870 1.00 0.00 C ATOM 411 CG GLU A 29 1.825 -0.408 -13.831 1.00 0.00 C ATOM 412 CD GLU A 29 1.266 -0.445 -15.248 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.451 -1.473 -15.939 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.644 0.549 -15.683 1.00 0.00 O ATOM 0 H GLU A 29 3.221 -2.721 -11.824 1.00 0.00 H new ATOM 0 HA GLU A 29 1.608 -0.366 -11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.070 -2.338 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.032 -1.004 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.783 0.615 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.876 -0.696 -13.853 1.00 0.00 H new ATOM 421 N MET A 30 -0.046 -1.778 -9.742 1.00 0.00 N ATOM 422 CA MET A 30 -0.908 -2.585 -8.865 1.00 0.00 C ATOM 423 C MET A 30 -2.370 -2.106 -8.919 1.00 0.00 C ATOM 424 O MET A 30 -2.642 -0.909 -8.894 1.00 0.00 O ATOM 425 CB MET A 30 -0.398 -2.523 -7.420 1.00 0.00 C ATOM 426 CG MET A 30 -1.269 -3.285 -6.429 1.00 0.00 C ATOM 427 SD MET A 30 -0.659 -3.189 -4.737 1.00 0.00 S ATOM 428 CE MET A 30 0.923 -4.013 -4.895 1.00 0.00 C ATOM 0 H MET A 30 -0.189 -0.772 -9.654 1.00 0.00 H new ATOM 0 HA MET A 30 -0.872 -3.615 -9.221 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.615 -2.925 -7.384 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.338 -1.480 -7.110 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.284 -2.889 -6.466 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.323 -4.331 -6.731 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.482 -3.908 -3.965 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.763 -5.071 -5.105 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.488 -3.562 -5.711 1.00 0.00 H new ATOM 438 N ASN A 31 -3.308 -3.051 -8.975 1.00 0.00 N ATOM 439 CA ASN A 31 -4.739 -2.724 -9.051 1.00 0.00 C ATOM 440 C ASN A 31 -5.397 -2.653 -7.658 1.00 0.00 C ATOM 441 O ASN A 31 -4.794 -3.018 -6.646 1.00 0.00 O ATOM 442 CB ASN A 31 -5.461 -3.754 -9.935 1.00 0.00 C ATOM 443 CG ASN A 31 -5.272 -5.188 -9.462 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.120 -5.457 -8.275 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.261 -6.117 -10.392 1.00 0.00 N ATOM 0 H ASN A 31 -3.107 -4.051 -8.969 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.829 -1.733 -9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.526 -3.522 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.096 -3.665 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.123 -7.094 -10.135 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.390 -5.860 -11.371 1.00 0.00 H new ATOM 452 N GLY A 32 -6.646 -2.185 -7.627 1.00 0.00 N ATOM 453 CA GLY A 32 -7.386 -2.071 -6.373 1.00 0.00 C ATOM 454 C GLY A 32 -7.624 -3.413 -5.678 1.00 0.00 C ATOM 455 O GLY A 32 -7.723 -3.472 -4.451 1.00 0.00 O ATOM 0 H GLY A 32 -7.163 -1.881 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.840 -1.413 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.348 -1.598 -6.570 1.00 0.00 H new ATOM 459 N LYS A 33 -7.712 -4.492 -6.460 1.00 0.00 N ATOM 460 CA LYS A 33 -7.918 -5.839 -5.908 1.00 0.00 C ATOM 461 C LYS A 33 -6.774 -6.237 -4.961 1.00 0.00 C ATOM 462 O LYS A 33 -7.003 -6.597 -3.802 1.00 0.00 O ATOM 463 CB LYS A 33 -8.034 -6.864 -7.047 1.00 0.00 C ATOM 464 CG LYS A 33 -8.319 -8.287 -6.571 1.00 0.00 C ATOM 465 CD LYS A 33 -8.421 -9.267 -7.739 1.00 0.00 C ATOM 466 CE LYS A 33 -8.766 -10.673 -7.267 1.00 0.00 C ATOM 467 NZ LYS A 33 -10.073 -10.715 -6.557 1.00 0.00 N ATOM 0 H LYS A 33 -7.644 -4.462 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.845 -5.828 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.829 -6.552 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.107 -6.862 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.527 -8.609 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.249 -8.301 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.182 -8.921 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.475 -9.287 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.796 -11.346 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.981 -11.036 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.393 -11.701 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.965 -10.308 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.776 -10.165 -7.091 1.00 0.00 H new ATOM 481 N ASN A 34 -5.540 -6.171 -5.462 1.00 0.00 N ATOM 482 CA ASN A 34 -4.364 -6.518 -4.658 1.00 0.00 C ATOM 483 C ASN A 34 -4.105 -5.475 -3.560 1.00 0.00 C ATOM 484 O ASN A 34 -3.568 -5.801 -2.504 1.00 0.00 O ATOM 485 CB ASN A 34 -3.131 -6.677 -5.554 1.00 0.00 C ATOM 486 CG ASN A 34 -3.331 -7.750 -6.613 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.055 -8.717 -6.405 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.688 -7.596 -7.754 1.00 0.00 N ATOM 0 H ASN A 34 -5.328 -5.882 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.565 -7.470 -4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.910 -5.726 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.267 -6.930 -4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.786 -8.292 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.093 -6.780 -7.898 1.00 0.00 H new ATOM 495 N TRP A 35 -4.495 -4.228 -3.820 1.00 0.00 N ATOM 496 CA TRP A 35 -4.438 -3.162 -2.810 1.00 0.00 C ATOM 497 C TRP A 35 -5.341 -3.505 -1.607 1.00 0.00 C ATOM 498 O TRP A 35 -4.955 -3.332 -0.444 1.00 0.00 O ATOM 499 CB TRP A 35 -4.853 -1.826 -3.456 1.00 0.00 C ATOM 500 CG TRP A 35 -4.957 -0.669 -2.503 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.068 0.082 -2.258 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.918 -0.130 -1.676 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.787 1.055 -1.333 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.475 0.946 -0.958 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.573 -0.449 -1.474 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.734 1.699 -0.052 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.839 0.300 -0.573 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.422 1.363 0.127 1.00 0.00 C ATOM 0 H TRP A 35 -4.856 -3.926 -4.725 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.418 -3.070 -2.437 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.131 -1.575 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.816 -1.961 -3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.030 -0.068 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.448 1.747 -0.982 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.115 -1.266 -2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.180 2.520 0.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.799 0.061 -0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.822 1.930 0.823 1.00 0.00 H new ATOM 519 N ALA A 36 -6.537 -4.017 -1.897 1.00 0.00 N ATOM 520 CA ALA A 36 -7.452 -4.494 -0.854 1.00 0.00 C ATOM 521 C ALA A 36 -6.831 -5.653 -0.061 1.00 0.00 C ATOM 522 O ALA A 36 -6.929 -5.707 1.168 1.00 0.00 O ATOM 523 CB ALA A 36 -8.781 -4.919 -1.470 1.00 0.00 C ATOM 0 H ALA A 36 -6.897 -4.113 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.634 -3.673 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.450 -5.271 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.234 -4.069 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.609 -5.722 -2.187 1.00 0.00 H new ATOM 529 N LYS A 37 -6.188 -6.576 -0.769 1.00 0.00 N ATOM 530 CA LYS A 37 -5.474 -7.678 -0.135 1.00 0.00 C ATOM 531 C LYS A 37 -4.333 -7.163 0.751 1.00 0.00 C ATOM 532 O LYS A 37 -4.160 -7.626 1.870 1.00 0.00 O ATOM 533 CB LYS A 37 -4.922 -8.626 -1.208 1.00 0.00 C ATOM 534 CG LYS A 37 -5.991 -9.397 -1.984 1.00 0.00 C ATOM 535 CD LYS A 37 -6.709 -10.419 -1.108 1.00 0.00 C ATOM 536 CE LYS A 37 -5.765 -11.508 -0.599 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.166 -12.300 -1.704 1.00 0.00 N ATOM 0 H LYS A 37 -6.147 -6.582 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.175 -8.219 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.325 -8.048 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.250 -9.340 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.718 -8.696 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.528 -9.906 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.165 -9.910 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.518 -10.878 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.970 -11.050 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.311 -12.175 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.686 -13.135 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.915 -12.606 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.477 -11.714 -2.217 1.00 0.00 H new ATOM 551 N LEU A 38 -3.573 -6.194 0.246 1.00 0.00 N ATOM 552 CA LEU A 38 -2.477 -5.580 1.007 1.00 0.00 C ATOM 553 C LEU A 38 -2.916 -5.167 2.412 1.00 0.00 C ATOM 554 O LEU A 38 -2.310 -5.565 3.403 1.00 0.00 O ATOM 555 CB LEU A 38 -1.928 -4.360 0.253 1.00 0.00 C ATOM 556 CG LEU A 38 -0.762 -4.655 -0.698 1.00 0.00 C ATOM 557 CD1 LEU A 38 -0.450 -3.441 -1.562 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.468 -5.077 0.101 1.00 0.00 C ATOM 0 H LEU A 38 -3.694 -5.812 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.693 -6.330 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.739 -3.911 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.603 -3.617 0.982 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.049 -5.473 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.380 -3.673 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.328 -3.180 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.179 -2.600 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.292 -5.285 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.754 -4.274 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.238 -5.974 0.676 1.00 0.00 H new ATOM 570 N CYS A 39 -3.979 -4.375 2.501 1.00 0.00 N ATOM 571 CA CYS A 39 -4.451 -3.899 3.806 1.00 0.00 C ATOM 572 C CYS A 39 -4.886 -5.066 4.714 1.00 0.00 C ATOM 573 O CYS A 39 -4.503 -5.124 5.889 1.00 0.00 O ATOM 574 CB CYS A 39 -5.604 -2.897 3.650 1.00 0.00 C ATOM 575 SG CYS A 39 -7.130 -3.611 3.005 1.00 0.00 S ATOM 0 H CYS A 39 -4.525 -4.051 1.703 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.611 -3.392 4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.810 -2.445 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.284 -2.094 2.986 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.848 -4.445 2.048 1.00 0.00 H new ATOM 581 N LYS A 40 -5.659 -6.013 4.173 1.00 0.00 N ATOM 582 CA LYS A 40 -6.180 -7.122 4.983 1.00 0.00 C ATOM 583 C LYS A 40 -5.058 -8.078 5.426 1.00 0.00 C ATOM 584 O LYS A 40 -4.947 -8.427 6.604 1.00 0.00 O ATOM 585 CB LYS A 40 -7.248 -7.907 4.205 1.00 0.00 C ATOM 586 CG LYS A 40 -8.017 -8.903 5.072 1.00 0.00 C ATOM 587 CD LYS A 40 -9.056 -9.703 4.279 1.00 0.00 C ATOM 588 CE LYS A 40 -8.450 -10.910 3.560 1.00 0.00 C ATOM 589 NZ LYS A 40 -7.466 -10.530 2.508 1.00 0.00 N ATOM 0 H LYS A 40 -5.936 -6.036 3.192 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.630 -6.686 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.952 -7.205 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.770 -8.443 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.312 -9.592 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.517 -8.366 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.839 -10.044 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.530 -9.049 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.961 -11.553 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.250 -11.495 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.447 -11.263 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.743 -9.621 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.521 -10.441 2.933 1.00 0.00 H new ATOM 603 N ASP A 41 -4.232 -8.489 4.474 1.00 0.00 N ATOM 604 CA ASP A 41 -3.157 -9.450 4.726 1.00 0.00 C ATOM 605 C ASP A 41 -2.046 -8.840 5.602 1.00 0.00 C ATOM 606 O ASP A 41 -1.485 -9.515 6.468 1.00 0.00 O ATOM 607 CB ASP A 41 -2.578 -9.943 3.390 1.00 0.00 C ATOM 608 CG ASP A 41 -3.636 -10.508 2.442 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.827 -10.598 2.829 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.277 -10.869 1.300 1.00 0.00 O ATOM 0 H ASP A 41 -4.284 -8.169 3.507 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.577 -10.295 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.064 -9.117 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.830 -10.711 3.588 1.00 0.00 H new ATOM 615 N CYS A 42 -1.733 -7.563 5.373 1.00 0.00 N ATOM 616 CA CYS A 42 -0.743 -6.848 6.195 1.00 0.00 C ATOM 617 C CYS A 42 -1.376 -6.254 7.463 1.00 0.00 C ATOM 618 O CYS A 42 -0.678 -5.679 8.300 1.00 0.00 O ATOM 619 CB CYS A 42 -0.068 -5.735 5.388 1.00 0.00 C ATOM 620 SG CYS A 42 0.886 -6.327 3.972 1.00 0.00 S ATOM 0 H CYS A 42 -2.147 -7.001 4.629 1.00 0.00 H new ATOM 0 HA CYS A 42 0.007 -7.579 6.498 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.832 -5.043 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.592 -5.172 6.047 1.00 0.00 H new ATOM 0 HG CYS A 42 0.705 -5.528 2.962 1.00 0.00 H new ATOM 626 N LYS A 43 -2.700 -6.389 7.595 1.00 0.00 N ATOM 627 CA LYS A 43 -3.429 -5.957 8.798 1.00 0.00 C ATOM 628 C LYS A 43 -3.311 -4.443 9.039 1.00 0.00 C ATOM 629 O LYS A 43 -3.265 -3.978 10.181 1.00 0.00 O ATOM 630 CB LYS A 43 -2.930 -6.747 10.009 1.00 0.00 C ATOM 631 CG LYS A 43 -2.951 -8.249 9.764 1.00 0.00 C ATOM 632 CD LYS A 43 -2.349 -9.035 10.916 1.00 0.00 C ATOM 633 CE LYS A 43 -3.210 -8.962 12.173 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.610 -9.709 13.311 1.00 0.00 N ATOM 0 H LYS A 43 -3.296 -6.799 6.876 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.488 -6.163 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.914 -6.434 10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.550 -6.513 10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.979 -8.574 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.401 -8.472 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.229 -10.077 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.354 -8.649 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.346 -7.919 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.199 -9.366 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.230 -9.631 14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.503 -10.710 13.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.677 -9.308 13.536 1.00 0.00 H new ATOM 648 N VAL A 44 -3.285 -3.683 7.946 1.00 0.00 N ATOM 649 CA VAL A 44 -3.286 -2.220 8.010 1.00 0.00 C ATOM 650 C VAL A 44 -4.711 -1.693 8.249 1.00 0.00 C ATOM 651 O VAL A 44 -4.909 -0.584 8.749 1.00 0.00 O ATOM 652 CB VAL A 44 -2.723 -1.603 6.701 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.623 -0.082 6.812 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.365 -2.215 6.350 1.00 0.00 C ATOM 0 H VAL A 44 -3.263 -4.058 6.998 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.646 -1.925 8.841 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.417 -1.836 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.226 0.325 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.613 0.335 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.959 0.180 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.991 -1.767 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.660 -2.024 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.476 -3.290 6.211 1.00 0.00 H new ATOM 664 N ALA A 45 -5.704 -2.498 7.875 1.00 0.00 N ATOM 665 CA ALA A 45 -7.110 -2.133 8.062 1.00 0.00 C ATOM 666 C ALA A 45 -7.659 -2.663 9.397 1.00 0.00 C ATOM 667 O ALA A 45 -8.055 -3.829 9.499 1.00 0.00 O ATOM 668 CB ALA A 45 -7.947 -2.648 6.892 1.00 0.00 C ATOM 0 H ALA A 45 -5.562 -3.409 7.440 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.174 -1.045 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.991 -2.371 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.584 -2.208 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.864 -3.733 6.835 1.00 0.00 H new ATOM 674 N ASP A 46 -7.668 -1.805 10.421 1.00 0.00 N ATOM 675 CA ASP A 46 -8.204 -2.171 11.741 1.00 0.00 C ATOM 676 C ASP A 46 -9.666 -2.643 11.646 1.00 0.00 C ATOM 677 O ASP A 46 -10.118 -3.475 12.440 1.00 0.00 O ATOM 678 CB ASP A 46 -8.116 -0.978 12.700 1.00 0.00 C ATOM 679 CG ASP A 46 -6.703 -0.444 12.838 1.00 0.00 C ATOM 680 OD1 ASP A 46 -5.964 -0.917 13.727 1.00 0.00 O ATOM 681 OD2 ASP A 46 -6.320 0.444 12.053 1.00 0.00 O ATOM 0 H ASP A 46 -7.311 -0.851 10.364 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.600 -2.995 12.122 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.769 -0.181 12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.485 -1.277 13.681 1.00 0.00 H new ATOM 686 N GLY A 47 -10.403 -2.107 10.673 1.00 0.00 N ATOM 687 CA GLY A 47 -11.814 -2.444 10.510 1.00 0.00 C ATOM 688 C GLY A 47 -12.741 -1.407 11.133 1.00 0.00 C ATOM 689 O GLY A 47 -13.697 -0.954 10.505 1.00 0.00 O ATOM 0 H GLY A 47 -10.046 -1.440 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.041 -2.537 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.006 -3.416 10.963 1.00 0.00 H new ATOM 693 N LYS A 48 -12.459 -1.032 12.377 1.00 0.00 N ATOM 694 CA LYS A 48 -13.252 -0.018 13.083 1.00 0.00 C ATOM 695 C LYS A 48 -12.777 1.408 12.752 1.00 0.00 C ATOM 696 O LYS A 48 -13.513 2.381 12.936 1.00 0.00 O ATOM 697 CB LYS A 48 -13.176 -0.262 14.593 1.00 0.00 C ATOM 698 CG LYS A 48 -13.720 -1.624 15.022 1.00 0.00 C ATOM 699 CD LYS A 48 -13.547 -1.866 16.520 1.00 0.00 C ATOM 700 CE LYS A 48 -14.284 -0.829 17.361 1.00 0.00 C ATOM 701 NZ LYS A 48 -14.106 -1.068 18.817 1.00 0.00 N ATOM 0 H LYS A 48 -11.686 -1.413 12.922 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.286 -0.106 12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.138 -0.177 14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.734 0.521 15.107 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.777 -1.689 14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.208 -2.410 14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.914 -2.861 16.770 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.486 -1.846 16.769 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.920 0.167 17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.346 -0.852 17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.622 -0.342 19.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.476 -2.008 19.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.095 -1.021 19.055 1.00 0.00 H new ATOM 715 N SER A 49 -11.535 1.526 12.283 1.00 0.00 N ATOM 716 CA SER A 49 -10.976 2.815 11.844 1.00 0.00 C ATOM 717 C SER A 49 -10.712 2.801 10.330 1.00 0.00 C ATOM 718 O SER A 49 -11.426 3.439 9.557 1.00 0.00 O ATOM 719 CB SER A 49 -9.672 3.115 12.599 1.00 0.00 C ATOM 720 OG SER A 49 -8.711 2.095 12.371 1.00 0.00 O ATOM 0 H SER A 49 -10.889 0.742 12.195 1.00 0.00 H new ATOM 0 HA SER A 49 -11.702 3.597 12.066 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.272 4.076 12.276 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.875 3.197 13.667 1.00 0.00 H new ATOM 0 HG SER A 49 -7.888 2.306 12.859 1.00 0.00 H new ATOM 726 N VAL A 50 -9.679 2.066 9.912 1.00 0.00 N ATOM 727 CA VAL A 50 -9.387 1.871 8.489 1.00 0.00 C ATOM 728 C VAL A 50 -10.157 0.655 7.952 1.00 0.00 C ATOM 729 O VAL A 50 -10.007 -0.457 8.459 1.00 0.00 O ATOM 730 CB VAL A 50 -7.870 1.667 8.242 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.575 1.487 6.750 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.072 2.836 8.815 1.00 0.00 C ATOM 0 H VAL A 50 -9.029 1.595 10.541 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.704 2.771 7.963 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.562 0.756 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.504 1.346 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.110 0.614 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.901 2.373 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.009 2.675 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.387 3.762 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.249 2.906 9.888 1.00 0.00 H new ATOM 742 N THR A 51 -10.980 0.874 6.933 1.00 0.00 N ATOM 743 CA THR A 51 -11.834 -0.188 6.372 1.00 0.00 C ATOM 744 C THR A 51 -11.905 -0.100 4.840 1.00 0.00 C ATOM 745 O THR A 51 -11.330 0.808 4.246 1.00 0.00 O ATOM 746 CB THR A 51 -13.267 -0.120 6.959 1.00 0.00 C ATOM 747 OG1 THR A 51 -14.111 -1.113 6.348 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.875 1.267 6.767 1.00 0.00 C ATOM 0 H THR A 51 -11.080 1.778 6.471 1.00 0.00 H new ATOM 0 HA THR A 51 -11.381 -1.140 6.648 1.00 0.00 H new ATOM 0 HB THR A 51 -13.198 -0.321 8.028 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.011 -1.058 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.880 1.285 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.256 2.009 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.923 1.499 5.703 1.00 0.00 H new ATOM 756 N GLY A 52 -12.631 -1.035 4.215 1.00 0.00 N ATOM 757 CA GLY A 52 -12.701 -1.118 2.751 1.00 0.00 C ATOM 758 C GLY A 52 -12.905 0.229 2.056 1.00 0.00 C ATOM 759 O GLY A 52 -12.147 0.589 1.155 1.00 0.00 O ATOM 0 H GLY A 52 -13.179 -1.745 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.781 -1.570 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.518 -1.784 2.475 1.00 0.00 H new ATOM 763 N THR A 53 -13.923 0.977 2.478 1.00 0.00 N ATOM 764 CA THR A 53 -14.190 2.310 1.922 1.00 0.00 C ATOM 765 C THR A 53 -12.979 3.238 2.092 1.00 0.00 C ATOM 766 O THR A 53 -12.511 3.841 1.128 1.00 0.00 O ATOM 767 CB THR A 53 -15.427 2.969 2.582 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.586 2.140 2.398 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.701 4.355 2.004 1.00 0.00 C ATOM 0 H THR A 53 -14.579 0.686 3.203 1.00 0.00 H new ATOM 0 HA THR A 53 -14.390 2.168 0.860 1.00 0.00 H new ATOM 0 HB THR A 53 -15.213 3.077 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.362 2.564 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.576 4.786 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.837 4.998 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.886 4.273 0.933 1.00 0.00 H new ATOM 777 N ASP A 54 -12.468 3.331 3.322 1.00 0.00 N ATOM 778 CA ASP A 54 -11.306 4.179 3.631 1.00 0.00 C ATOM 779 C ASP A 54 -10.099 3.815 2.740 1.00 0.00 C ATOM 780 O ASP A 54 -9.414 4.689 2.201 1.00 0.00 O ATOM 781 CB ASP A 54 -10.949 4.027 5.116 1.00 0.00 C ATOM 782 CG ASP A 54 -9.888 5.013 5.576 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.239 6.174 5.880 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.701 4.631 5.664 1.00 0.00 O ATOM 0 H ASP A 54 -12.841 2.828 4.127 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.562 5.218 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.849 4.164 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.596 3.012 5.297 1.00 0.00 H new ATOM 789 N VAL A 55 -9.873 2.513 2.569 1.00 0.00 N ATOM 790 CA VAL A 55 -8.795 2.003 1.715 1.00 0.00 C ATOM 791 C VAL A 55 -9.035 2.351 0.229 1.00 0.00 C ATOM 792 O VAL A 55 -8.088 2.542 -0.542 1.00 0.00 O ATOM 793 CB VAL A 55 -8.654 0.464 1.877 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.554 -0.091 0.979 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.391 0.101 3.338 1.00 0.00 C ATOM 0 H VAL A 55 -10.428 1.783 3.015 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.871 2.486 2.033 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.595 0.008 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.482 -1.170 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.790 0.127 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.603 0.373 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.295 -0.981 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.469 0.578 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.221 0.447 3.954 1.00 0.00 H new ATOM 805 N ASP A 56 -10.309 2.469 -0.160 1.00 0.00 N ATOM 806 CA ASP A 56 -10.671 2.789 -1.547 1.00 0.00 C ATOM 807 C ASP A 56 -10.476 4.288 -1.800 1.00 0.00 C ATOM 808 O ASP A 56 -10.095 4.714 -2.891 1.00 0.00 O ATOM 809 CB ASP A 56 -12.128 2.380 -1.819 1.00 0.00 C ATOM 810 CG ASP A 56 -12.554 2.622 -3.260 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.195 1.806 -4.136 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.256 3.620 -3.524 1.00 0.00 O ATOM 0 H ASP A 56 -11.106 2.348 0.464 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.025 2.232 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.254 1.324 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.787 2.937 -1.153 1.00 0.00 H new ATOM 817 N ILE A 57 -10.728 5.074 -0.761 1.00 0.00 N ATOM 818 CA ILE A 57 -10.501 6.516 -0.793 1.00 0.00 C ATOM 819 C ILE A 57 -9.008 6.826 -0.967 1.00 0.00 C ATOM 820 O ILE A 57 -8.626 7.644 -1.804 1.00 0.00 O ATOM 821 CB ILE A 57 -11.014 7.170 0.511 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.486 6.785 0.748 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.842 8.691 0.468 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.482 7.527 -0.125 1.00 0.00 C ATOM 0 H ILE A 57 -11.095 4.732 0.127 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.049 6.925 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.419 6.798 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.600 5.715 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.732 6.969 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.211 9.125 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.786 8.935 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.406 9.097 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.492 7.192 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.402 8.598 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.268 7.324 -1.174 1.00 0.00 H new ATOM 836 N VAL A 58 -8.166 6.156 -0.176 1.00 0.00 N ATOM 837 CA VAL A 58 -6.708 6.292 -0.302 1.00 0.00 C ATOM 838 C VAL A 58 -6.233 5.927 -1.717 1.00 0.00 C ATOM 839 O VAL A 58 -5.439 6.652 -2.323 1.00 0.00 O ATOM 840 CB VAL A 58 -5.964 5.422 0.746 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.451 5.462 0.526 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.306 5.892 2.155 1.00 0.00 C ATOM 0 H VAL A 58 -8.466 5.514 0.558 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.469 7.339 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.293 4.390 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.958 4.843 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.218 5.082 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.098 6.489 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.779 5.275 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.004 6.932 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.380 5.805 2.317 1.00 0.00 H new ATOM 852 N PHE A 59 -6.736 4.810 -2.244 1.00 0.00 N ATOM 853 CA PHE A 59 -6.451 4.416 -3.629 1.00 0.00 C ATOM 854 C PHE A 59 -6.884 5.524 -4.607 1.00 0.00 C ATOM 855 O PHE A 59 -6.162 5.863 -5.546 1.00 0.00 O ATOM 856 CB PHE A 59 -7.176 3.104 -3.965 1.00 0.00 C ATOM 857 CG PHE A 59 -6.910 2.592 -5.364 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.828 1.761 -5.620 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.743 2.941 -6.421 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.583 1.291 -6.898 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.500 2.475 -7.699 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.418 1.648 -7.937 1.00 0.00 C ATOM 0 H PHE A 59 -7.340 4.163 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.376 4.264 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.875 2.341 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.249 3.252 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.170 1.478 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.591 3.585 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.738 0.644 -7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.154 2.756 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.227 1.282 -8.935 1.00 0.00 H new ATOM 872 N SER A 60 -8.066 6.089 -4.366 1.00 0.00 N ATOM 873 CA SER A 60 -8.607 7.160 -5.213 1.00 0.00 C ATOM 874 C SER A 60 -7.756 8.437 -5.130 1.00 0.00 C ATOM 875 O SER A 60 -7.611 9.156 -6.119 1.00 0.00 O ATOM 876 CB SER A 60 -10.059 7.474 -4.824 1.00 0.00 C ATOM 877 OG SER A 60 -10.650 8.393 -5.734 1.00 0.00 O ATOM 0 H SER A 60 -8.672 5.824 -3.589 1.00 0.00 H new ATOM 0 HA SER A 60 -8.580 6.803 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.640 6.552 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.086 7.888 -3.816 1.00 0.00 H new ATOM 0 HG SER A 60 -11.574 8.573 -5.463 1.00 0.00 H new ATOM 883 N LYS A 61 -7.190 8.707 -3.948 1.00 0.00 N ATOM 884 CA LYS A 61 -6.297 9.861 -3.746 1.00 0.00 C ATOM 885 C LYS A 61 -5.083 9.798 -4.684 1.00 0.00 C ATOM 886 O LYS A 61 -4.774 10.754 -5.397 1.00 0.00 O ATOM 887 CB LYS A 61 -5.801 9.910 -2.288 1.00 0.00 C ATOM 888 CG LYS A 61 -6.884 10.194 -1.251 1.00 0.00 C ATOM 889 CD LYS A 61 -6.347 10.038 0.171 1.00 0.00 C ATOM 890 CE LYS A 61 -7.405 10.358 1.223 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.713 11.812 1.286 1.00 0.00 N ATOM 0 H LYS A 61 -7.334 8.141 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.871 10.760 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.329 8.957 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.031 10.677 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.266 11.206 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.722 9.514 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.992 9.018 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.489 10.696 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.317 9.805 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.058 10.019 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.411 11.987 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.843 12.343 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.101 12.125 0.373 1.00 0.00 H new ATOM 905 N VAL A 62 -4.400 8.659 -4.670 1.00 0.00 N ATOM 906 CA VAL A 62 -3.188 8.468 -5.473 1.00 0.00 C ATOM 907 C VAL A 62 -3.513 8.037 -6.918 1.00 0.00 C ATOM 908 O VAL A 62 -2.625 7.958 -7.769 1.00 0.00 O ATOM 909 CB VAL A 62 -2.254 7.422 -4.811 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.874 7.858 -3.392 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.907 6.040 -4.795 1.00 0.00 C ATOM 0 H VAL A 62 -4.663 7.848 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.679 9.431 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.343 7.358 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.218 7.111 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.357 8.817 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.776 7.957 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.232 5.324 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.839 6.084 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.117 5.725 -5.817 1.00 0.00 H new ATOM 921 N LYS A 63 -4.792 7.772 -7.185 1.00 0.00 N ATOM 922 CA LYS A 63 -5.252 7.367 -8.521 1.00 0.00 C ATOM 923 C LYS A 63 -5.073 8.494 -9.554 1.00 0.00 C ATOM 924 O LYS A 63 -5.071 9.677 -9.207 1.00 0.00 O ATOM 925 CB LYS A 63 -6.735 6.963 -8.465 1.00 0.00 C ATOM 926 CG LYS A 63 -7.295 6.467 -9.797 1.00 0.00 C ATOM 927 CD LYS A 63 -8.813 6.260 -9.770 1.00 0.00 C ATOM 928 CE LYS A 63 -9.589 7.579 -9.695 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.585 8.176 -8.330 1.00 0.00 N ATOM 0 H LYS A 63 -5.536 7.830 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.643 6.519 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.860 6.181 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.322 7.819 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.046 7.184 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.811 5.527 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.117 5.715 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.076 5.640 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.156 8.290 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.619 7.407 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.468 8.704 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.508 7.420 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.775 8.822 -8.236 1.00 0.00 H new ATOM 943 N GLY A 64 -4.927 8.119 -10.824 1.00 0.00 N ATOM 944 CA GLY A 64 -4.854 9.108 -11.895 1.00 0.00 C ATOM 945 C GLY A 64 -6.226 9.645 -12.295 1.00 0.00 C ATOM 946 O GLY A 64 -7.195 9.517 -11.544 1.00 0.00 O ATOM 0 H GLY A 64 -4.858 7.149 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.223 9.937 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.376 8.660 -12.766 1.00 0.00 H new ATOM 950 N LYS A 65 -6.315 10.243 -13.482 1.00 0.00 N ATOM 951 CA LYS A 65 -7.578 10.808 -13.982 1.00 0.00 C ATOM 952 C LYS A 65 -8.662 9.726 -14.160 1.00 0.00 C ATOM 953 O LYS A 65 -9.841 9.964 -13.884 1.00 0.00 O ATOM 954 CB LYS A 65 -7.338 11.542 -15.308 1.00 0.00 C ATOM 955 CG LYS A 65 -6.436 12.766 -15.176 1.00 0.00 C ATOM 956 CD LYS A 65 -6.168 13.421 -16.527 1.00 0.00 C ATOM 957 CE LYS A 65 -5.366 14.709 -16.382 1.00 0.00 C ATOM 958 NZ LYS A 65 -4.051 14.486 -15.725 1.00 0.00 N ATOM 0 H LYS A 65 -5.527 10.351 -14.121 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.941 11.516 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.893 10.849 -16.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.298 11.852 -15.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.901 13.490 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.490 12.473 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.626 12.725 -17.167 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.115 13.636 -17.021 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.207 15.148 -17.367 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.942 15.429 -15.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.488 15.359 -15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.200 14.221 -14.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.544 13.721 -16.214 1.00 0.00 H new ATOM 972 N SER A 66 -8.257 8.549 -14.630 1.00 0.00 N ATOM 973 CA SER A 66 -9.180 7.410 -14.790 1.00 0.00 C ATOM 974 C SER A 66 -8.429 6.070 -14.717 1.00 0.00 C ATOM 975 O SER A 66 -8.948 5.032 -15.131 1.00 0.00 O ATOM 976 CB SER A 66 -9.933 7.510 -16.127 1.00 0.00 C ATOM 977 OG SER A 66 -10.965 6.533 -16.226 1.00 0.00 O ATOM 0 H SER A 66 -7.296 8.351 -14.909 1.00 0.00 H new ATOM 0 HA SER A 66 -9.897 7.449 -13.970 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.364 8.506 -16.228 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.231 7.382 -16.951 1.00 0.00 H new ATOM 0 HG SER A 66 -10.613 5.657 -15.962 1.00 0.00 H new ATOM 983 N ALA A 67 -7.208 6.106 -14.180 1.00 0.00 N ATOM 984 CA ALA A 67 -6.361 4.909 -14.061 1.00 0.00 C ATOM 985 C ALA A 67 -6.961 3.863 -13.106 1.00 0.00 C ATOM 986 O ALA A 67 -7.489 4.200 -12.046 1.00 0.00 O ATOM 987 CB ALA A 67 -4.962 5.302 -13.592 1.00 0.00 C ATOM 0 H ALA A 67 -6.778 6.956 -13.817 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.303 4.453 -15.049 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.343 4.409 -13.507 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.515 5.986 -14.313 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.028 5.792 -12.620 1.00 0.00 H new ATOM 993 N ARG A 68 -6.871 2.593 -13.492 1.00 0.00 N ATOM 994 CA ARG A 68 -7.372 1.484 -12.672 1.00 0.00 C ATOM 995 C ARG A 68 -6.254 0.891 -11.792 1.00 0.00 C ATOM 996 O ARG A 68 -6.508 0.053 -10.921 1.00 0.00 O ATOM 997 CB ARG A 68 -7.953 0.394 -13.585 1.00 0.00 C ATOM 998 CG ARG A 68 -9.005 0.911 -14.564 1.00 0.00 C ATOM 999 CD ARG A 68 -9.461 -0.177 -15.534 1.00 0.00 C ATOM 1000 NE ARG A 68 -10.346 0.350 -16.575 1.00 0.00 N ATOM 1001 CZ ARG A 68 -10.271 0.020 -17.836 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -9.400 -0.853 -18.234 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -11.074 0.558 -18.698 1.00 0.00 N ATOM 0 H ARG A 68 -6.452 2.301 -14.375 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.151 1.867 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.141 -0.067 -14.148 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.397 -0.387 -12.967 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.865 1.286 -14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.597 1.751 -15.126 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.589 -0.637 -15.999 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.978 -0.961 -14.981 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.066 1.017 -16.297 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.768 -1.287 -17.561 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.346 -1.107 -19.220 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.767 1.241 -18.392 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.013 0.299 -19.683 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.018 1.333 -12.034 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.843 0.835 -11.306 1.00 0.00 C ATOM 1019 C VAL A 69 -2.950 1.986 -10.805 1.00 0.00 C ATOM 1020 O VAL A 69 -2.914 3.068 -11.397 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.989 -0.113 -12.195 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.783 -1.356 -12.599 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.465 0.623 -13.428 1.00 0.00 C ATOM 0 H VAL A 69 -4.801 2.042 -12.735 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.224 0.283 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.133 -0.441 -11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.160 -2.000 -13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.088 -1.899 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.668 -1.056 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.871 -0.060 -14.034 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.305 0.992 -14.016 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.845 1.463 -13.114 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.234 1.742 -9.708 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.280 2.716 -9.159 1.00 0.00 C ATOM 1035 C ILE A 70 0.152 2.158 -9.177 1.00 0.00 C ATOM 1036 O ILE A 70 0.358 0.945 -9.098 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.653 3.123 -7.709 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.644 1.895 -6.779 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.016 3.813 -7.686 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.946 2.217 -5.327 1.00 0.00 C ATOM 0 H ILE A 70 -2.295 0.874 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.329 3.600 -9.795 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.905 3.827 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.377 1.173 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.667 1.415 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.265 4.093 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.982 4.707 -8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.775 3.132 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.921 1.300 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.199 2.914 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.935 2.669 -5.253 1.00 0.00 H new ATOM 1052 N ASN A 71 1.140 3.044 -9.277 1.00 0.00 N ATOM 1053 CA ASN A 71 2.551 2.630 -9.356 1.00 0.00 C ATOM 1054 C ASN A 71 3.283 2.763 -8.004 1.00 0.00 C ATOM 1055 O ASN A 71 2.747 3.317 -7.043 1.00 0.00 O ATOM 1056 CB ASN A 71 3.270 3.426 -10.451 1.00 0.00 C ATOM 1057 CG ASN A 71 2.883 4.892 -10.447 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.952 5.302 -11.131 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.590 5.692 -9.687 1.00 0.00 N ATOM 0 H ASN A 71 0.997 4.053 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 71 2.569 1.571 -9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.348 3.337 -10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.036 2.994 -11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.372 6.688 -9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.359 5.319 -9.130 1.00 0.00 H new ATOM 1066 N TYR A 72 4.527 2.271 -7.958 1.00 0.00 N ATOM 1067 CA TYR A 72 5.288 2.121 -6.702 1.00 0.00 C ATOM 1068 C TYR A 72 5.371 3.416 -5.867 1.00 0.00 C ATOM 1069 O TYR A 72 5.089 3.401 -4.670 1.00 0.00 O ATOM 1070 CB TYR A 72 6.703 1.608 -7.010 1.00 0.00 C ATOM 1071 CG TYR A 72 7.531 1.262 -5.781 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.076 0.329 -4.855 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.769 1.858 -5.553 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.829 -0.003 -3.745 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.528 1.531 -4.441 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.052 0.602 -3.540 1.00 0.00 C ATOM 1077 OH TYR A 72 9.806 0.260 -2.438 1.00 0.00 O ATOM 0 H TYR A 72 5.038 1.965 -8.786 1.00 0.00 H new ATOM 0 HA TYR A 72 4.742 1.399 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.625 0.723 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.233 2.366 -7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.117 -0.144 -5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.144 2.588 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.461 -0.734 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.487 2.001 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 72 10.640 0.775 -2.440 1.00 0.00 H new ATOM 1087 N GLU A 73 5.766 4.524 -6.484 1.00 0.00 N ATOM 1088 CA GLU A 73 5.940 5.786 -5.744 1.00 0.00 C ATOM 1089 C GLU A 73 4.614 6.298 -5.144 1.00 0.00 C ATOM 1090 O GLU A 73 4.576 6.733 -3.991 1.00 0.00 O ATOM 1091 CB GLU A 73 6.569 6.855 -6.645 1.00 0.00 C ATOM 1092 CG GLU A 73 7.977 6.503 -7.120 1.00 0.00 C ATOM 1093 CD GLU A 73 8.573 7.569 -8.024 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.269 7.568 -9.235 1.00 0.00 O ATOM 1095 OE2 GLU A 73 9.337 8.424 -7.526 1.00 0.00 O ATOM 0 H GLU A 73 5.972 4.583 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 73 6.613 5.581 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.929 7.008 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.603 7.800 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.624 6.363 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.949 5.553 -7.654 1.00 0.00 H new ATOM 1102 N GLU A 74 3.525 6.231 -5.913 1.00 0.00 N ATOM 1103 CA GLU A 74 2.208 6.628 -5.398 1.00 0.00 C ATOM 1104 C GLU A 74 1.711 5.618 -4.355 1.00 0.00 C ATOM 1105 O GLU A 74 0.995 5.974 -3.419 1.00 0.00 O ATOM 1106 CB GLU A 74 1.181 6.786 -6.535 1.00 0.00 C ATOM 1107 CG GLU A 74 1.264 8.128 -7.272 1.00 0.00 C ATOM 1108 CD GLU A 74 2.395 8.209 -8.289 1.00 0.00 C ATOM 1109 OE1 GLU A 74 3.579 8.217 -7.893 1.00 0.00 O ATOM 1110 OE2 GLU A 74 2.105 8.269 -9.501 1.00 0.00 O ATOM 0 H GLU A 74 3.525 5.911 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 74 2.319 7.600 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.324 5.979 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.178 6.671 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.318 8.310 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.390 8.925 -6.540 1.00 0.00 H new ATOM 1117 N PHE A 75 2.110 4.361 -4.522 1.00 0.00 N ATOM 1118 CA PHE A 75 1.879 3.324 -3.515 1.00 0.00 C ATOM 1119 C PHE A 75 2.527 3.717 -2.177 1.00 0.00 C ATOM 1120 O PHE A 75 1.933 3.560 -1.112 1.00 0.00 O ATOM 1121 CB PHE A 75 2.455 1.994 -4.013 1.00 0.00 C ATOM 1122 CG PHE A 75 2.515 0.913 -2.963 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.357 0.335 -2.470 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.739 0.476 -2.471 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.417 -0.654 -1.511 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.802 -0.513 -1.512 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.640 -1.078 -1.031 1.00 0.00 C ATOM 0 H PHE A 75 2.600 4.031 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 75 0.806 3.216 -3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.851 1.640 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.460 2.168 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.397 0.662 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.652 0.916 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.507 -1.097 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.760 -0.844 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.686 -1.852 -0.279 1.00 0.00 H new ATOM 1137 N LYS A 76 3.749 4.234 -2.251 1.00 0.00 N ATOM 1138 CA LYS A 76 4.453 4.734 -1.069 1.00 0.00 C ATOM 1139 C LYS A 76 3.673 5.889 -0.420 1.00 0.00 C ATOM 1140 O LYS A 76 3.576 5.978 0.802 1.00 0.00 O ATOM 1141 CB LYS A 76 5.862 5.198 -1.454 1.00 0.00 C ATOM 1142 CG LYS A 76 6.722 4.102 -2.080 1.00 0.00 C ATOM 1143 CD LYS A 76 8.078 4.640 -2.534 1.00 0.00 C ATOM 1144 CE LYS A 76 8.864 5.232 -1.373 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.185 5.750 -1.804 1.00 0.00 N ATOM 0 H LYS A 76 4.277 4.319 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 76 4.531 3.923 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.782 6.029 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.365 5.578 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.872 3.300 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.198 3.670 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.654 3.836 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.930 5.402 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.288 6.039 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.006 4.471 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.688 6.144 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.745 4.975 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.050 6.494 -2.518 1.00 0.00 H new ATOM 1159 N LYS A 77 3.108 6.765 -1.250 1.00 0.00 N ATOM 1160 CA LYS A 77 2.264 7.862 -0.762 1.00 0.00 C ATOM 1161 C LYS A 77 0.925 7.342 -0.211 1.00 0.00 C ATOM 1162 O LYS A 77 0.327 7.957 0.674 1.00 0.00 O ATOM 1163 CB LYS A 77 2.031 8.891 -1.879 1.00 0.00 C ATOM 1164 CG LYS A 77 3.272 9.729 -2.198 1.00 0.00 C ATOM 1165 CD LYS A 77 3.681 10.585 -1.001 1.00 0.00 C ATOM 1166 CE LYS A 77 4.969 11.360 -1.249 1.00 0.00 C ATOM 1167 NZ LYS A 77 5.312 12.241 -0.098 1.00 0.00 N ATOM 0 H LYS A 77 3.218 6.739 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 77 2.788 8.349 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.710 8.371 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.217 9.555 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.096 9.072 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.071 10.371 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.879 11.285 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.808 9.945 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.786 10.661 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.863 11.964 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.278 12.608 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.643 13.036 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.255 11.696 0.786 1.00 0.00 H new ATOM 1181 N ALA A 78 0.461 6.210 -0.733 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.723 5.541 -0.191 1.00 0.00 C ATOM 1183 C ALA A 78 -0.433 4.984 1.213 1.00 0.00 C ATOM 1184 O ALA A 78 -1.252 5.107 2.128 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.180 4.433 -1.129 1.00 0.00 C ATOM 0 H ALA A 78 0.885 5.735 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.527 6.272 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.061 3.944 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.426 4.858 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.380 3.701 -1.245 1.00 0.00 H new ATOM 1191 N LEU A 79 0.747 4.379 1.373 1.00 0.00 N ATOM 1192 CA LEU A 79 1.217 3.926 2.688 1.00 0.00 C ATOM 1193 C LEU A 79 1.439 5.120 3.626 1.00 0.00 C ATOM 1194 O LEU A 79 1.097 5.066 4.803 1.00 0.00 O ATOM 1195 CB LEU A 79 2.515 3.118 2.553 1.00 0.00 C ATOM 1196 CG LEU A 79 2.394 1.800 1.776 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.736 1.074 1.744 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.308 0.912 2.381 1.00 0.00 C ATOM 0 H LEU A 79 1.396 4.191 0.609 1.00 0.00 H new ATOM 0 HA LEU A 79 0.448 3.283 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.262 3.742 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.891 2.898 3.552 1.00 0.00 H new ATOM 0 HG LEU A 79 2.106 2.031 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.632 0.142 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.480 1.705 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.056 0.856 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.240 -0.017 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.558 0.687 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.350 1.431 2.343 1.00 0.00 H new ATOM 1210 N GLU A 80 2.020 6.191 3.090 1.00 0.00 N ATOM 1211 CA GLU A 80 2.197 7.447 3.833 1.00 0.00 C ATOM 1212 C GLU A 80 0.842 7.974 4.340 1.00 0.00 C ATOM 1213 O GLU A 80 0.705 8.383 5.495 1.00 0.00 O ATOM 1214 CB GLU A 80 2.865 8.494 2.923 1.00 0.00 C ATOM 1215 CG GLU A 80 3.195 9.814 3.614 1.00 0.00 C ATOM 1216 CD GLU A 80 3.734 10.862 2.649 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.898 10.740 2.213 1.00 0.00 O ATOM 1218 OE2 GLU A 80 2.993 11.817 2.323 1.00 0.00 O ATOM 0 H GLU A 80 2.381 6.218 2.136 1.00 0.00 H new ATOM 0 HA GLU A 80 2.835 7.258 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.784 8.071 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.207 8.695 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.299 10.200 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.931 9.635 4.398 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.157 7.948 3.459 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.527 8.346 3.803 1.00 0.00 C ATOM 1227 C GLU A 81 -2.079 7.487 4.955 1.00 0.00 C ATOM 1228 O GLU A 81 -2.420 8.000 6.021 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.426 8.217 2.561 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.873 8.654 2.774 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.008 10.132 3.098 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -3.629 10.969 2.251 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.490 10.465 4.197 1.00 0.00 O ATOM 0 H GLU A 81 -0.043 7.652 2.489 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.516 9.384 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.996 8.811 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.419 7.178 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.449 8.431 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.307 8.069 3.585 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.144 6.173 4.739 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.617 5.238 5.771 1.00 0.00 C ATOM 1242 C LEU A 82 -1.801 5.368 7.068 1.00 0.00 C ATOM 1243 O LEU A 82 -2.347 5.256 8.167 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.561 3.792 5.254 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.565 3.446 4.143 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.344 2.021 3.641 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.997 3.628 4.642 1.00 0.00 C ATOM 0 H LEU A 82 -1.876 5.728 3.861 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.652 5.495 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.555 3.596 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.729 3.118 6.094 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.403 4.128 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.065 1.796 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.333 1.928 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.476 1.320 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.695 3.379 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.172 2.971 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.148 4.664 4.945 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.497 5.611 6.934 1.00 0.00 N ATOM 1260 CA ALA A 83 0.381 5.813 8.090 1.00 0.00 C ATOM 1261 C ALA A 83 -0.087 6.998 8.944 1.00 0.00 C ATOM 1262 O ALA A 83 -0.388 6.836 10.118 1.00 0.00 O ATOM 1263 CB ALA A 83 1.824 6.021 7.636 1.00 0.00 C ATOM 0 H ALA A 83 -0.023 5.673 6.033 1.00 0.00 H new ATOM 0 HA ALA A 83 0.333 4.915 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.462 6.169 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.162 5.144 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.880 6.899 6.992 1.00 0.00 H new ATOM 1269 N THR A 84 -0.168 8.182 8.337 1.00 0.00 N ATOM 1270 CA THR A 84 -0.614 9.398 9.044 1.00 0.00 C ATOM 1271 C THR A 84 -1.975 9.203 9.731 1.00 0.00 C ATOM 1272 O THR A 84 -2.234 9.765 10.795 1.00 0.00 O ATOM 1273 CB THR A 84 -0.717 10.612 8.085 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.683 10.354 7.055 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.631 10.930 7.447 1.00 0.00 C ATOM 0 H THR A 84 0.068 8.332 7.356 1.00 0.00 H new ATOM 0 HA THR A 84 0.144 9.594 9.803 1.00 0.00 H new ATOM 0 HB THR A 84 -1.033 11.472 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.644 9.409 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.525 11.786 6.780 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.356 11.165 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.977 10.067 6.878 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.837 8.403 9.112 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.162 8.109 9.664 1.00 0.00 C ATOM 1285 C LYS A 85 -4.071 7.167 10.884 1.00 0.00 C ATOM 1286 O LYS A 85 -4.833 7.304 11.845 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.054 7.505 8.563 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.169 8.409 7.332 1.00 0.00 C ATOM 1289 CD LYS A 85 -5.865 7.737 6.140 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.390 7.751 6.249 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.914 6.677 7.132 1.00 0.00 N ATOM 0 H LYS A 85 -2.643 7.943 8.223 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.608 9.040 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.649 6.539 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.049 7.321 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.720 9.310 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.171 8.725 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.568 8.243 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.522 6.705 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.714 8.719 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.822 7.640 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.949 6.755 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.660 5.749 6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.500 6.775 8.081 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.127 6.224 10.855 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.938 5.279 11.969 1.00 0.00 C ATOM 1307 C ARG A 86 -1.817 5.744 12.922 1.00 0.00 C ATOM 1308 O ARG A 86 -2.070 6.074 14.085 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.621 3.878 11.429 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.606 3.398 10.366 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.341 1.954 9.949 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.775 1.003 10.972 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.114 -0.064 11.325 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -1.951 -0.324 10.818 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.617 -0.876 12.196 1.00 0.00 N ATOM 0 H ARG A 86 -2.481 6.091 10.077 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.868 5.244 12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.616 3.879 11.008 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.619 3.170 12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.623 3.484 10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.539 4.046 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.861 1.745 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.276 1.821 9.758 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.660 1.188 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.540 0.310 10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.446 -1.163 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.530 -0.682 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.101 -1.711 12.473 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.582 5.767 12.423 1.00 0.00 N ATOM 1330 CA PHE A 87 0.580 6.207 13.208 1.00 0.00 C ATOM 1331 C PHE A 87 0.758 7.731 13.096 1.00 0.00 C ATOM 1332 O PHE A 87 1.109 8.251 12.033 1.00 0.00 O ATOM 1333 CB PHE A 87 1.851 5.505 12.714 1.00 0.00 C ATOM 1334 CG PHE A 87 1.730 4.004 12.620 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.889 3.210 13.744 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.461 3.392 11.403 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.780 1.835 13.659 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.351 2.018 11.313 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.511 1.238 12.441 1.00 0.00 C ATOM 0 H PHE A 87 -0.355 5.484 11.470 1.00 0.00 H new ATOM 0 HA PHE A 87 0.407 5.945 14.252 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.113 5.900 11.732 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.673 5.751 13.386 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.101 3.671 14.698 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.336 3.997 10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.905 1.227 14.543 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.140 1.554 10.361 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.426 0.164 12.372 1.00 0.00 H new ATOM 1349 N LYS A 88 0.529 8.443 14.195 1.00 0.00 N ATOM 1350 CA LYS A 88 0.486 9.911 14.164 1.00 0.00 C ATOM 1351 C LYS A 88 1.122 10.555 15.409 1.00 0.00 C ATOM 1352 O LYS A 88 0.731 11.649 15.821 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.976 10.365 13.989 1.00 0.00 C ATOM 1354 CG LYS A 88 -1.974 9.557 14.817 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.418 9.934 14.494 1.00 0.00 C ATOM 1356 CE LYS A 88 -4.411 8.976 15.144 1.00 0.00 C ATOM 1357 NZ LYS A 88 -4.255 7.582 14.644 1.00 0.00 N ATOM 0 H LYS A 88 0.370 8.035 15.116 1.00 0.00 H new ATOM 0 HA LYS A 88 1.084 10.249 13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.056 11.416 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.247 10.290 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.825 8.494 14.629 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.784 9.722 15.877 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.614 10.950 14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.562 9.929 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.273 8.990 16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.427 9.319 14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.972 6.972 15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.379 7.568 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.306 7.231 14.884 1.00 0.00 H new ATOM 1371 N GLY A 89 2.133 9.901 15.980 1.00 0.00 N ATOM 1372 CA GLY A 89 2.864 10.481 17.110 1.00 0.00 C ATOM 1373 C GLY A 89 3.890 11.540 16.686 1.00 0.00 C ATOM 1374 O GLY A 89 5.019 11.556 17.185 1.00 0.00 O ATOM 0 H GLY A 89 2.463 8.982 15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.152 10.931 17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.376 9.685 17.651 1.00 0.00 H new ATOM 1378 N LYS A 90 3.491 12.413 15.754 1.00 0.00 N ATOM 1379 CA LYS A 90 4.338 13.500 15.223 1.00 0.00 C ATOM 1380 C LYS A 90 5.463 12.990 14.301 1.00 0.00 C ATOM 1381 O LYS A 90 5.701 13.561 13.237 1.00 0.00 O ATOM 1382 CB LYS A 90 4.936 14.355 16.352 1.00 0.00 C ATOM 1383 CG LYS A 90 5.688 15.587 15.843 1.00 0.00 C ATOM 1384 CD LYS A 90 6.340 16.371 16.973 1.00 0.00 C ATOM 1385 CE LYS A 90 7.477 15.592 17.625 1.00 0.00 C ATOM 1386 NZ LYS A 90 8.609 15.357 16.688 1.00 0.00 N ATOM 0 H LYS A 90 2.560 12.389 15.339 1.00 0.00 H new ATOM 0 HA LYS A 90 3.675 14.121 14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.136 14.676 17.019 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.616 13.741 16.943 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.452 15.275 15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.997 16.236 15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.723 17.315 16.586 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.590 16.615 17.725 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.837 16.139 18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.100 14.634 17.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.433 15.010 17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.331 14.649 15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.855 16.248 16.211 1.00 0.00 H new ATOM 1400 N SER A 91 6.171 11.940 14.714 1.00 0.00 N ATOM 1401 CA SER A 91 7.264 11.375 13.921 1.00 0.00 C ATOM 1402 C SER A 91 6.741 10.611 12.691 1.00 0.00 C ATOM 1403 O SER A 91 6.130 9.551 12.825 1.00 0.00 O ATOM 1404 CB SER A 91 8.097 10.433 14.798 1.00 0.00 C ATOM 1405 OG SER A 91 8.550 11.088 15.976 1.00 0.00 O ATOM 0 H SER A 91 6.006 11.460 15.599 1.00 0.00 H new ATOM 0 HA SER A 91 7.881 12.199 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.499 9.563 15.070 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.953 10.067 14.231 1.00 0.00 H new ATOM 0 HG SER A 91 9.077 10.462 16.516 1.00 0.00 H new ATOM 1411 N LYS A 92 6.971 11.155 11.497 1.00 0.00 N ATOM 1412 CA LYS A 92 6.543 10.508 10.251 1.00 0.00 C ATOM 1413 C LYS A 92 7.528 9.421 9.803 1.00 0.00 C ATOM 1414 O LYS A 92 7.119 8.406 9.236 1.00 0.00 O ATOM 1415 CB LYS A 92 6.371 11.551 9.138 1.00 0.00 C ATOM 1416 CG LYS A 92 5.042 12.302 9.193 1.00 0.00 C ATOM 1417 CD LYS A 92 4.952 13.222 10.407 1.00 0.00 C ATOM 1418 CE LYS A 92 3.568 13.843 10.554 1.00 0.00 C ATOM 1419 NZ LYS A 92 2.524 12.825 10.851 1.00 0.00 N ATOM 0 H LYS A 92 7.452 12.044 11.363 1.00 0.00 H new ATOM 0 HA LYS A 92 5.584 10.028 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.187 12.271 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.457 11.054 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.921 12.890 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.222 11.585 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.193 12.658 11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.696 14.013 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.587 14.585 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.309 14.370 9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.652 13.301 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.330 12.266 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.859 12.195 11.607 1.00 0.00 H new ATOM 1433 N GLU A 93 8.818 9.647 10.057 1.00 0.00 N ATOM 1434 CA GLU A 93 9.876 8.684 9.702 1.00 0.00 C ATOM 1435 C GLU A 93 9.504 7.258 10.134 1.00 0.00 C ATOM 1436 O GLU A 93 9.181 6.407 9.303 1.00 0.00 O ATOM 1437 CB GLU A 93 11.202 9.101 10.372 1.00 0.00 C ATOM 1438 CG GLU A 93 12.387 8.169 10.103 1.00 0.00 C ATOM 1439 CD GLU A 93 12.951 8.298 8.695 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.790 9.199 8.468 1.00 0.00 O ATOM 1441 OE2 GLU A 93 12.579 7.493 7.817 1.00 0.00 O ATOM 0 H GLU A 93 9.163 10.493 10.510 1.00 0.00 H new ATOM 0 HA GLU A 93 9.990 8.690 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.463 10.103 10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.044 9.161 11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.177 8.381 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.073 7.138 10.268 1.00 0.00 H new ATOM 1448 N GLU A 94 9.511 7.023 11.445 1.00 0.00 N ATOM 1449 CA GLU A 94 9.239 5.698 12.005 1.00 0.00 C ATOM 1450 C GLU A 94 7.787 5.247 11.767 1.00 0.00 C ATOM 1451 O GLU A 94 7.512 4.053 11.663 1.00 0.00 O ATOM 1452 CB GLU A 94 9.575 5.701 13.497 1.00 0.00 C ATOM 1453 CG GLU A 94 9.377 4.357 14.185 1.00 0.00 C ATOM 1454 CD GLU A 94 10.111 4.279 15.510 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.782 5.062 16.424 1.00 0.00 O ATOM 1456 OE2 GLU A 94 11.032 3.444 15.635 1.00 0.00 O ATOM 0 H GLU A 94 9.704 7.739 12.145 1.00 0.00 H new ATOM 0 HA GLU A 94 9.872 4.976 11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.612 6.012 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.956 6.446 13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.313 4.189 14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.728 3.560 13.530 1.00 0.00 H new ATOM 1463 N ALA A 95 6.862 6.199 11.671 1.00 0.00 N ATOM 1464 CA ALA A 95 5.468 5.884 11.327 1.00 0.00 C ATOM 1465 C ALA A 95 5.390 5.190 9.959 1.00 0.00 C ATOM 1466 O ALA A 95 4.666 4.207 9.779 1.00 0.00 O ATOM 1467 CB ALA A 95 4.626 7.155 11.331 1.00 0.00 C ATOM 0 H ALA A 95 7.046 7.191 11.825 1.00 0.00 H new ATOM 0 HA ALA A 95 5.072 5.200 12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.595 6.909 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.656 7.608 12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.024 7.858 10.599 1.00 0.00 H new ATOM 1473 N PHE A 96 6.161 5.707 9.003 1.00 0.00 N ATOM 1474 CA PHE A 96 6.251 5.109 7.672 1.00 0.00 C ATOM 1475 C PHE A 96 6.960 3.743 7.740 1.00 0.00 C ATOM 1476 O PHE A 96 6.553 2.788 7.078 1.00 0.00 O ATOM 1477 CB PHE A 96 6.984 6.067 6.720 1.00 0.00 C ATOM 1478 CG PHE A 96 6.974 5.625 5.274 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.830 5.774 4.500 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.103 5.067 4.690 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.813 5.372 3.178 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.089 4.664 3.368 1.00 0.00 C ATOM 1483 CZ PHE A 96 6.945 4.816 2.611 1.00 0.00 C ATOM 0 H PHE A 96 6.734 6.542 9.127 1.00 0.00 H new ATOM 0 HA PHE A 96 5.245 4.942 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.526 7.054 6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.018 6.171 7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.943 6.209 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.003 4.946 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.916 5.492 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.974 4.230 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.934 4.501 1.578 1.00 0.00 H new ATOM 1493 N ASP A 97 8.015 3.655 8.558 1.00 0.00 N ATOM 1494 CA ASP A 97 8.698 2.378 8.811 1.00 0.00 C ATOM 1495 C ASP A 97 7.730 1.322 9.374 1.00 0.00 C ATOM 1496 O ASP A 97 7.790 0.153 9.003 1.00 0.00 O ATOM 1497 CB ASP A 97 9.858 2.570 9.794 1.00 0.00 C ATOM 1498 CG ASP A 97 11.050 3.266 9.172 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.872 2.580 8.532 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.187 4.492 9.335 1.00 0.00 O ATOM 0 H ASP A 97 8.415 4.450 9.056 1.00 0.00 H new ATOM 0 HA ASP A 97 9.084 2.025 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.511 3.150 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.170 1.597 10.174 1.00 0.00 H new ATOM 1505 N ALA A 98 6.840 1.746 10.273 1.00 0.00 N ATOM 1506 CA ALA A 98 5.879 0.835 10.909 1.00 0.00 C ATOM 1507 C ALA A 98 4.898 0.224 9.890 1.00 0.00 C ATOM 1508 O ALA A 98 4.664 -0.992 9.879 1.00 0.00 O ATOM 1509 CB ALA A 98 5.118 1.568 12.010 1.00 0.00 C ATOM 0 H ALA A 98 6.763 2.716 10.579 1.00 0.00 H new ATOM 0 HA ALA A 98 6.443 0.010 11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.407 0.886 12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.821 1.929 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.581 2.413 11.580 1.00 0.00 H new ATOM 1515 N ILE A 99 4.325 1.059 9.030 1.00 0.00 N ATOM 1516 CA ILE A 99 3.405 0.564 8.006 1.00 0.00 C ATOM 1517 C ILE A 99 4.165 -0.237 6.930 1.00 0.00 C ATOM 1518 O ILE A 99 3.633 -1.189 6.355 1.00 0.00 O ATOM 1519 CB ILE A 99 2.584 1.714 7.362 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.439 1.143 6.509 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.481 2.632 6.531 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.471 2.191 6.004 1.00 0.00 C ATOM 0 H ILE A 99 4.476 2.068 9.018 1.00 0.00 H new ATOM 0 HA ILE A 99 2.697 -0.103 8.498 1.00 0.00 H new ATOM 0 HB ILE A 99 2.150 2.313 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.863 0.613 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.890 0.409 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.880 3.428 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.248 3.068 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.955 2.056 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.308 1.711 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.017 2.705 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.006 2.912 5.386 1.00 0.00 H new ATOM 1534 N CYS A 100 5.424 0.139 6.681 1.00 0.00 N ATOM 1535 CA CYS A 100 6.306 -0.648 5.809 1.00 0.00 C ATOM 1536 C CYS A 100 6.653 -1.992 6.463 1.00 0.00 C ATOM 1537 O CYS A 100 6.815 -2.996 5.783 1.00 0.00 O ATOM 1538 CB CYS A 100 7.591 0.121 5.481 1.00 0.00 C ATOM 1539 SG CYS A 100 7.334 1.578 4.444 1.00 0.00 S ATOM 0 H CYS A 100 5.855 0.979 7.068 1.00 0.00 H new ATOM 0 HA CYS A 100 5.770 -0.835 4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.064 0.430 6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.286 -0.552 4.978 1.00 0.00 H new ATOM 0 HG CYS A 100 7.046 2.600 5.195 1.00 0.00 H new ATOM 1545 N GLN A 101 6.768 -1.995 7.790 1.00 0.00 N ATOM 1546 CA GLN A 101 6.962 -3.229 8.563 1.00 0.00 C ATOM 1547 C GLN A 101 5.829 -4.227 8.278 1.00 0.00 C ATOM 1548 O GLN A 101 6.052 -5.434 8.168 1.00 0.00 O ATOM 1549 CB GLN A 101 7.003 -2.888 10.062 1.00 0.00 C ATOM 1550 CG GLN A 101 6.994 -4.094 10.995 1.00 0.00 C ATOM 1551 CD GLN A 101 6.758 -3.700 12.443 1.00 0.00 C ATOM 1552 OE1 GLN A 101 5.622 -3.633 12.903 1.00 0.00 O ATOM 1553 NE2 GLN A 101 7.819 -3.422 13.165 1.00 0.00 N ATOM 0 H GLN A 101 6.730 -1.150 8.360 1.00 0.00 H new ATOM 0 HA GLN A 101 7.905 -3.690 8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.898 -2.299 10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.147 -2.257 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.217 -4.790 10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.945 -4.620 10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.749 -3.488 12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 101 7.713 -3.140 14.140 1.00 0.00 H new ATOM 1562 N LEU A 102 4.611 -3.702 8.170 1.00 0.00 N ATOM 1563 CA LEU A 102 3.435 -4.517 7.831 1.00 0.00 C ATOM 1564 C LEU A 102 3.484 -5.047 6.380 1.00 0.00 C ATOM 1565 O LEU A 102 3.101 -6.187 6.112 1.00 0.00 O ATOM 1566 CB LEU A 102 2.157 -3.693 8.041 1.00 0.00 C ATOM 1567 CG LEU A 102 1.937 -3.182 9.473 1.00 0.00 C ATOM 1568 CD1 LEU A 102 0.696 -2.294 9.547 1.00 0.00 C ATOM 1569 CD2 LEU A 102 1.829 -4.351 10.454 1.00 0.00 C ATOM 0 H LEU A 102 4.407 -2.713 8.312 1.00 0.00 H new ATOM 0 HA LEU A 102 3.436 -5.383 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.181 -2.837 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.300 -4.302 7.754 1.00 0.00 H new ATOM 0 HG LEU A 102 2.801 -2.580 9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.560 -1.944 10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.821 -1.438 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.180 -2.866 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.673 -3.967 11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.988 -4.985 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.749 -4.935 10.426 1.00 0.00 H new ATOM 1581 N VAL A 103 3.955 -4.216 5.447 1.00 0.00 N ATOM 1582 CA VAL A 103 3.947 -4.566 4.012 1.00 0.00 C ATOM 1583 C VAL A 103 5.269 -5.211 3.543 1.00 0.00 C ATOM 1584 O VAL A 103 5.274 -6.332 3.033 1.00 0.00 O ATOM 1585 CB VAL A 103 3.654 -3.318 3.138 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.656 -3.673 1.649 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.323 -2.683 3.543 1.00 0.00 C ATOM 0 H VAL A 103 4.347 -3.297 5.652 1.00 0.00 H new ATOM 0 HA VAL A 103 3.153 -5.302 3.889 1.00 0.00 H new ATOM 0 HB VAL A 103 4.449 -2.592 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.448 -2.779 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.632 -4.071 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.889 -4.423 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.132 -1.809 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.519 -3.406 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.368 -2.380 4.589 1.00 0.00 H new ATOM 1597 N ALA A 104 6.379 -4.490 3.699 1.00 0.00 N ATOM 1598 CA ALA A 104 7.698 -4.959 3.240 1.00 0.00 C ATOM 1599 C ALA A 104 8.028 -6.377 3.742 1.00 0.00 C ATOM 1600 O ALA A 104 7.996 -6.652 4.942 1.00 0.00 O ATOM 1601 CB ALA A 104 8.786 -3.981 3.676 1.00 0.00 C ATOM 0 H ALA A 104 6.396 -3.572 4.142 1.00 0.00 H new ATOM 0 HA ALA A 104 7.661 -5.004 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.756 -4.339 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.587 -3.000 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.793 -3.906 4.763 1.00 0.00 H new ATOM 1607 N GLY A 105 8.344 -7.273 2.807 1.00 0.00 N ATOM 1608 CA GLY A 105 8.632 -8.663 3.149 1.00 0.00 C ATOM 1609 C GLY A 105 7.392 -9.554 3.094 1.00 0.00 C ATOM 1610 O GLY A 105 7.445 -10.674 2.576 1.00 0.00 O ATOM 0 H GLY A 105 8.407 -7.061 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.385 -9.053 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.060 -8.705 4.150 1.00 0.00 H new ATOM 1614 N LYS A 106 6.272 -9.039 3.607 1.00 0.00 N ATOM 1615 CA LYS A 106 5.009 -9.790 3.703 1.00 0.00 C ATOM 1616 C LYS A 106 4.597 -10.432 2.364 1.00 0.00 C ATOM 1617 O LYS A 106 4.624 -9.788 1.313 1.00 0.00 O ATOM 1618 CB LYS A 106 3.888 -8.853 4.182 1.00 0.00 C ATOM 1619 CG LYS A 106 2.546 -9.546 4.426 1.00 0.00 C ATOM 1620 CD LYS A 106 2.584 -10.436 5.666 1.00 0.00 C ATOM 1621 CE LYS A 106 1.264 -11.169 5.879 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.988 -12.154 4.797 1.00 0.00 N ATOM 0 H LYS A 106 6.211 -8.088 3.970 1.00 0.00 H new ATOM 0 HA LYS A 106 5.168 -10.597 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.206 -8.368 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.747 -8.066 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.765 -8.795 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.284 -10.147 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.391 -11.162 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.808 -9.828 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.287 -11.684 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.451 -10.444 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.065 -12.604 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.974 -11.666 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.732 -12.881 4.791 1.00 0.00 H new ATOM 1636 N GLU A 107 4.226 -11.710 2.416 1.00 0.00 N ATOM 1637 CA GLU A 107 3.692 -12.418 1.245 1.00 0.00 C ATOM 1638 C GLU A 107 2.150 -12.403 1.249 1.00 0.00 C ATOM 1639 O GLU A 107 1.530 -12.267 2.308 1.00 0.00 O ATOM 1640 CB GLU A 107 4.220 -13.863 1.226 1.00 0.00 C ATOM 1641 CG GLU A 107 3.732 -14.714 2.393 1.00 0.00 C ATOM 1642 CD GLU A 107 4.537 -15.994 2.571 1.00 0.00 C ATOM 1643 OE1 GLU A 107 4.305 -16.964 1.815 1.00 0.00 O ATOM 1644 OE2 GLU A 107 5.407 -16.029 3.466 1.00 0.00 O ATOM 0 H GLU A 107 4.284 -12.282 3.259 1.00 0.00 H new ATOM 0 HA GLU A 107 4.028 -11.906 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.919 -14.337 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.310 -13.841 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.784 -14.128 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.684 -14.969 2.237 1.00 0.00 H new ATOM 1651 N PRO A 108 1.507 -12.529 0.065 1.00 0.00 N ATOM 1652 CA PRO A 108 0.035 -12.504 -0.046 1.00 0.00 C ATOM 1653 C PRO A 108 -0.652 -13.577 0.817 1.00 0.00 C ATOM 1654 O PRO A 108 -0.298 -14.759 0.767 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.226 -12.745 -1.546 1.00 0.00 C ATOM 1656 CG PRO A 108 1.053 -13.300 -2.083 1.00 0.00 C ATOM 1657 CD PRO A 108 2.147 -12.695 -1.250 1.00 0.00 C ATOM 0 HA PRO A 108 -0.377 -11.563 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.051 -13.442 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.496 -11.818 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.066 -14.388 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.178 -13.046 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.020 -13.346 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.485 -11.742 -1.658 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.643 -13.145 1.593 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.369 -14.010 2.527 1.00 0.00 C ATOM 1667 C ALA A 109 -1.439 -14.629 3.593 1.00 0.00 C ATOM 1668 O ALA A 109 -0.988 -13.925 4.502 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.159 -15.082 1.778 1.00 0.00 C ATOM 0 H ALA A 109 -1.969 -12.179 1.593 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.081 -13.382 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.689 -15.710 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.878 -14.605 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.475 -15.696 1.193 1.00 0.00 H new