USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 935 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 98 TYR OH : rot 30:sc= 0.447 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -131:sc= 0.491 (180deg=0) USER MOD Set 2.1: A 67 MET CE :methyl 152:sc= -0.292 (180deg=-0.493) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 57 ASN : amide:sc= 0.201 K(o=-2.2,f=-3.1) USER MOD Set 3.2: A 62 ASN : amide:sc= -2.4! C(o=-2.2!,f=-7.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0281) USER MOD Single : A 31 CYS SG : rot -22:sc= -2.71 USER MOD Single : A 33 THR OG1 : rot 54:sc= 1.15 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00931 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 161:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc=-0.00447 (180deg=-0.125) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.036) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.00059) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc=-0.00758 (180deg=-0.223) USER MOD Single : A 65 MET CE :methyl -171:sc= -1.56 (180deg=-2.11!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 93 SER OG : rot -83:sc= 0.76 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0423) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.353 -0.542 8.697 1.00 0.00 N ATOM 51 CA GLY A 5 11.500 0.218 7.817 1.00 0.00 C ATOM 52 C GLY A 5 10.201 0.621 8.482 1.00 0.00 C ATOM 53 O GLY A 5 10.103 0.634 9.714 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.028 1.112 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.282 -0.372 6.927 1.00 0.00 H new ATOM 57 N ILE A 6 9.210 0.957 7.666 1.00 0.00 N ATOM 58 CA ILE A 6 7.891 1.350 8.156 1.00 0.00 C ATOM 59 C ILE A 6 7.154 0.173 8.793 1.00 0.00 C ATOM 60 O ILE A 6 7.114 -0.925 8.237 1.00 0.00 O ATOM 61 CB ILE A 6 7.011 1.924 7.021 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.611 3.218 6.478 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.589 2.168 7.508 1.00 0.00 C ATOM 64 CD1 ILE A 6 6.851 3.792 5.304 1.00 0.00 C ATOM 0 H ILE A 6 9.295 0.966 6.650 1.00 0.00 H new ATOM 0 HA ILE A 6 8.062 2.120 8.908 1.00 0.00 H new ATOM 0 HB ILE A 6 6.978 1.190 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.641 3.958 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.642 3.032 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.989 2.572 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.154 1.228 7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.604 2.879 8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.335 4.710 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.843 3.070 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.826 4.010 5.605 1.00 0.00 H new ATOM 76 N ALA A 7 6.572 0.413 9.960 1.00 0.00 N ATOM 77 CA ALA A 7 5.713 -0.569 10.600 1.00 0.00 C ATOM 78 C ALA A 7 4.263 -0.337 10.184 1.00 0.00 C ATOM 79 O ALA A 7 3.684 0.713 10.477 1.00 0.00 O ATOM 80 CB ALA A 7 5.853 -0.496 12.114 1.00 0.00 C ATOM 0 H ALA A 7 6.681 1.282 10.483 1.00 0.00 H new ATOM 0 HA ALA A 7 6.017 -1.566 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.202 -1.239 12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.887 -0.696 12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.570 0.499 12.458 1.00 0.00 H new ATOM 86 N PHE A 8 3.690 -1.309 9.487 1.00 0.00 N ATOM 87 CA PHE A 8 2.322 -1.203 8.997 1.00 0.00 C ATOM 88 C PHE A 8 1.318 -1.333 10.130 1.00 0.00 C ATOM 89 O PHE A 8 1.627 -1.868 11.197 1.00 0.00 O ATOM 90 CB PHE A 8 2.040 -2.291 7.965 1.00 0.00 C ATOM 91 CG PHE A 8 2.731 -2.100 6.649 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.169 -1.294 5.672 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.928 -2.741 6.380 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.791 -1.131 4.450 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.555 -2.580 5.162 1.00 0.00 C ATOM 96 CZ PHE A 8 3.985 -1.773 4.195 1.00 0.00 C ATOM 0 H PHE A 8 4.155 -2.185 9.247 1.00 0.00 H new ATOM 0 HA PHE A 8 2.217 -0.219 8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.339 -3.253 8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.965 -2.339 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.235 -0.788 5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.376 -3.374 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.343 -0.502 3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.490 -3.084 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.474 -1.645 3.241 1.00 0.00 H new ATOM 106 N ARG A 9 0.114 -0.839 9.898 1.00 0.00 N ATOM 107 CA ARG A 9 -0.970 -1.006 10.848 1.00 0.00 C ATOM 108 C ARG A 9 -2.099 -1.792 10.193 1.00 0.00 C ATOM 109 O ARG A 9 -2.697 -1.338 9.215 1.00 0.00 O ATOM 110 CB ARG A 9 -1.487 0.347 11.342 1.00 0.00 C ATOM 111 CG ARG A 9 -0.384 1.309 11.749 1.00 0.00 C ATOM 112 CD ARG A 9 -0.916 2.484 12.555 1.00 0.00 C ATOM 113 NE ARG A 9 -2.043 3.153 11.907 1.00 0.00 N ATOM 114 CZ ARG A 9 -2.086 4.458 11.648 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.020 5.220 11.864 1.00 0.00 N ATOM 116 NH2 ARG A 9 -3.198 4.999 11.167 1.00 0.00 N ATOM 0 H ARG A 9 -0.137 -0.318 9.058 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.594 -1.554 11.712 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.086 0.806 10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.148 0.185 12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.363 0.775 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.119 1.681 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.225 2.133 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.113 3.204 12.711 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.846 2.585 11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.163 4.806 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.058 6.219 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.017 4.415 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.234 5.999 10.968 1.00 0.00 H new ATOM 130 N GLU A 10 -2.361 -2.985 10.705 1.00 0.00 N ATOM 131 CA GLU A 10 -3.444 -3.808 10.190 1.00 0.00 C ATOM 132 C GLU A 10 -4.776 -3.365 10.788 1.00 0.00 C ATOM 133 O GLU A 10 -5.025 -3.511 11.987 1.00 0.00 O ATOM 134 CB GLU A 10 -3.177 -5.297 10.457 1.00 0.00 C ATOM 135 CG GLU A 10 -2.810 -5.623 11.895 1.00 0.00 C ATOM 136 CD GLU A 10 -2.610 -7.108 12.120 1.00 0.00 C ATOM 137 OE1 GLU A 10 -3.594 -7.798 12.458 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.469 -7.594 11.976 1.00 0.00 O ATOM 0 H GLU A 10 -1.840 -3.404 11.475 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.497 -3.675 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.065 -5.867 10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.370 -5.631 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.897 -5.092 12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.596 -5.261 12.558 1.00 0.00 H new ATOM 145 N LEU A 11 -5.622 -2.798 9.946 1.00 0.00 N ATOM 146 CA LEU A 11 -6.891 -2.247 10.385 1.00 0.00 C ATOM 147 C LEU A 11 -7.936 -2.453 9.294 1.00 0.00 C ATOM 148 O LEU A 11 -7.586 -2.780 8.159 1.00 0.00 O ATOM 149 CB LEU A 11 -6.721 -0.754 10.693 1.00 0.00 C ATOM 150 CG LEU A 11 -7.812 -0.121 11.555 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.936 -0.853 12.883 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.504 1.346 11.792 1.00 0.00 C ATOM 0 H LEU A 11 -5.450 -2.707 8.945 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.223 -2.755 11.290 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.763 -0.613 11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.671 -0.212 9.749 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.762 -0.202 11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.718 -0.388 13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.191 -1.897 12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.988 -0.799 13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.288 1.788 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.546 1.439 12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.457 1.867 10.836 1.00 0.00 H new ATOM 164 N SER A 12 -9.204 -2.283 9.630 1.00 0.00 N ATOM 165 CA SER A 12 -10.265 -2.404 8.644 1.00 0.00 C ATOM 166 C SER A 12 -10.400 -1.098 7.868 1.00 0.00 C ATOM 167 O SER A 12 -10.003 -0.039 8.363 1.00 0.00 O ATOM 168 CB SER A 12 -11.576 -2.774 9.333 1.00 0.00 C ATOM 169 OG SER A 12 -11.417 -3.943 10.129 1.00 0.00 O ATOM 0 H SER A 12 -9.523 -2.062 10.573 1.00 0.00 H new ATOM 0 HA SER A 12 -10.018 -3.197 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.910 -1.946 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.351 -2.941 8.585 1.00 0.00 H new ATOM 0 HG SER A 12 -12.268 -4.162 10.563 1.00 0.00 H new ATOM 175 N PHE A 13 -10.953 -1.174 6.658 1.00 0.00 N ATOM 176 CA PHE A 13 -10.996 -0.020 5.763 1.00 0.00 C ATOM 177 C PHE A 13 -11.695 1.190 6.406 1.00 0.00 C ATOM 178 O PHE A 13 -11.087 2.257 6.488 1.00 0.00 O ATOM 179 CB PHE A 13 -11.649 -0.390 4.426 1.00 0.00 C ATOM 180 CG PHE A 13 -11.554 0.690 3.387 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.361 0.929 2.725 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.659 1.465 3.071 1.00 0.00 C ATOM 183 CE1 PHE A 13 -10.272 1.919 1.768 1.00 0.00 C ATOM 184 CE2 PHE A 13 -12.574 2.457 2.115 1.00 0.00 C ATOM 185 CZ PHE A 13 -11.380 2.684 1.463 1.00 0.00 C ATOM 0 H PHE A 13 -11.376 -2.020 6.276 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.965 0.276 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.179 -1.295 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.699 -0.625 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.491 0.334 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -13.596 1.291 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.336 2.095 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.442 3.055 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.312 3.460 0.714 1.00 0.00 H new ATOM 195 N PRO A 14 -12.966 1.064 6.873 1.00 0.00 N ATOM 196 CA PRO A 14 -13.675 2.174 7.530 1.00 0.00 C ATOM 197 C PRO A 14 -12.859 2.833 8.642 1.00 0.00 C ATOM 198 O PRO A 14 -12.819 4.060 8.751 1.00 0.00 O ATOM 199 CB PRO A 14 -14.922 1.511 8.119 1.00 0.00 C ATOM 200 CG PRO A 14 -15.167 0.322 7.262 1.00 0.00 C ATOM 201 CD PRO A 14 -13.818 -0.143 6.781 1.00 0.00 C ATOM 0 HA PRO A 14 -13.888 2.976 6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.762 1.222 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.774 2.190 8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.671 -0.464 7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.812 0.576 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.431 -0.952 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.867 -0.519 5.759 1.00 0.00 H new ATOM 209 N GLU A 15 -12.213 2.017 9.465 1.00 0.00 N ATOM 210 CA GLU A 15 -11.403 2.528 10.560 1.00 0.00 C ATOM 211 C GLU A 15 -10.202 3.313 10.054 1.00 0.00 C ATOM 212 O GLU A 15 -9.990 4.463 10.450 1.00 0.00 O ATOM 213 CB GLU A 15 -10.926 1.389 11.452 1.00 0.00 C ATOM 214 CG GLU A 15 -12.017 0.803 12.324 1.00 0.00 C ATOM 215 CD GLU A 15 -11.476 -0.162 13.355 1.00 0.00 C ATOM 216 OE1 GLU A 15 -11.383 -1.368 13.055 1.00 0.00 O ATOM 217 OE2 GLU A 15 -11.147 0.282 14.475 1.00 0.00 O ATOM 0 H GLU A 15 -12.235 1.000 9.394 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.034 3.203 11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.509 0.599 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.119 1.751 12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.547 1.610 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.744 0.289 11.695 1.00 0.00 H new ATOM 224 N ALA A 16 -9.411 2.688 9.190 1.00 0.00 N ATOM 225 CA ALA A 16 -8.216 3.319 8.648 1.00 0.00 C ATOM 226 C ALA A 16 -8.565 4.583 7.861 1.00 0.00 C ATOM 227 O ALA A 16 -7.799 5.545 7.841 1.00 0.00 O ATOM 228 CB ALA A 16 -7.453 2.336 7.771 1.00 0.00 C ATOM 0 H ALA A 16 -9.577 1.741 8.849 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.580 3.612 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.562 2.820 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.160 1.470 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.090 2.013 6.947 1.00 0.00 H new ATOM 234 N LEU A 17 -9.729 4.569 7.221 1.00 0.00 N ATOM 235 CA LEU A 17 -10.204 5.707 6.440 1.00 0.00 C ATOM 236 C LEU A 17 -10.385 6.934 7.328 1.00 0.00 C ATOM 237 O LEU A 17 -9.894 8.020 7.017 1.00 0.00 O ATOM 238 CB LEU A 17 -11.529 5.355 5.767 1.00 0.00 C ATOM 239 CG LEU A 17 -11.979 6.312 4.665 1.00 0.00 C ATOM 240 CD1 LEU A 17 -10.973 6.313 3.522 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.360 5.920 4.164 1.00 0.00 C ATOM 0 H LEU A 17 -10.367 3.774 7.228 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.460 5.939 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.447 4.354 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.306 5.316 6.531 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.033 7.321 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.307 7.000 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.000 6.632 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.891 5.308 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.671 6.609 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.328 4.906 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.072 5.964 4.988 1.00 0.00 H new ATOM 253 N LYS A 18 -11.092 6.741 8.436 1.00 0.00 N ATOM 254 CA LYS A 18 -11.304 7.798 9.425 1.00 0.00 C ATOM 255 C LYS A 18 -9.966 8.360 9.912 1.00 0.00 C ATOM 256 O LYS A 18 -9.799 9.574 10.060 1.00 0.00 O ATOM 257 CB LYS A 18 -12.108 7.240 10.609 1.00 0.00 C ATOM 258 CG LYS A 18 -12.290 8.214 11.764 1.00 0.00 C ATOM 259 CD LYS A 18 -13.003 7.552 12.933 1.00 0.00 C ATOM 260 CE LYS A 18 -12.932 8.402 14.193 1.00 0.00 C ATOM 261 NZ LYS A 18 -13.719 9.658 14.078 1.00 0.00 N ATOM 0 H LYS A 18 -11.533 5.853 8.676 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.863 8.609 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.091 6.932 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.609 6.345 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.317 8.583 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.862 9.079 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.046 7.378 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.556 6.577 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.300 7.822 15.039 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.891 8.647 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.638 10.201 14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.352 10.226 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.718 9.427 13.904 1.00 0.00 H new ATOM 275 N ARG A 19 -9.013 7.466 10.151 1.00 0.00 N ATOM 276 CA ARG A 19 -7.682 7.856 10.590 1.00 0.00 C ATOM 277 C ARG A 19 -6.987 8.703 9.526 1.00 0.00 C ATOM 278 O ARG A 19 -6.369 9.723 9.838 1.00 0.00 O ATOM 279 CB ARG A 19 -6.852 6.611 10.906 1.00 0.00 C ATOM 280 CG ARG A 19 -7.318 5.871 12.149 1.00 0.00 C ATOM 281 CD ARG A 19 -7.137 6.726 13.393 1.00 0.00 C ATOM 282 NE ARG A 19 -7.711 6.109 14.585 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.837 6.735 15.755 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.393 7.978 15.896 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.405 6.115 16.782 1.00 0.00 N ATOM 0 H ARG A 19 -9.141 6.459 10.047 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.777 8.458 11.494 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.890 5.933 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.810 6.902 11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.368 5.597 12.041 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.756 4.943 12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.074 6.904 13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.602 7.699 13.232 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.034 5.144 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.955 8.455 15.108 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.490 8.456 16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.745 5.159 16.676 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.501 6.594 17.677 1.00 0.00 H new ATOM 299 N ALA A 20 -7.116 8.282 8.272 1.00 0.00 N ATOM 300 CA ALA A 20 -6.506 8.985 7.152 1.00 0.00 C ATOM 301 C ALA A 20 -7.048 10.402 7.019 1.00 0.00 C ATOM 302 O ALA A 20 -6.282 11.359 6.957 1.00 0.00 O ATOM 303 CB ALA A 20 -6.733 8.218 5.859 1.00 0.00 C ATOM 0 H ALA A 20 -7.643 7.450 8.006 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.436 9.051 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.271 8.756 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.287 7.227 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.803 8.121 5.677 1.00 0.00 H new ATOM 309 N GLU A 21 -8.370 10.533 6.993 1.00 0.00 N ATOM 310 CA GLU A 21 -9.004 11.830 6.770 1.00 0.00 C ATOM 311 C GLU A 21 -8.633 12.846 7.847 1.00 0.00 C ATOM 312 O GLU A 21 -8.451 14.027 7.554 1.00 0.00 O ATOM 313 CB GLU A 21 -10.525 11.696 6.701 1.00 0.00 C ATOM 314 CG GLU A 21 -11.020 10.928 5.488 1.00 0.00 C ATOM 315 CD GLU A 21 -12.483 11.190 5.198 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.348 10.505 5.781 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.781 12.098 4.391 1.00 0.00 O ATOM 0 H GLU A 21 -9.023 9.760 7.123 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.630 12.195 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.877 11.197 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.968 12.692 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.424 11.205 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.870 9.861 5.651 1.00 0.00 H new ATOM 324 N VAL A 22 -8.519 12.392 9.087 1.00 0.00 N ATOM 325 CA VAL A 22 -8.297 13.303 10.205 1.00 0.00 C ATOM 326 C VAL A 22 -6.813 13.563 10.473 1.00 0.00 C ATOM 327 O VAL A 22 -6.385 14.716 10.556 1.00 0.00 O ATOM 328 CB VAL A 22 -8.956 12.772 11.498 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.716 13.720 12.668 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.446 12.558 11.279 1.00 0.00 C ATOM 0 H VAL A 22 -8.576 11.407 9.345 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.759 14.246 9.915 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.497 11.815 11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.191 13.320 13.564 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.644 13.821 12.840 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.140 14.697 12.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.899 12.184 12.197 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.913 13.504 11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.596 11.833 10.479 1.00 0.00 H new ATOM 340 N GLU A 23 -6.031 12.501 10.598 1.00 0.00 N ATOM 341 CA GLU A 23 -4.670 12.624 11.111 1.00 0.00 C ATOM 342 C GLU A 23 -3.613 12.640 10.009 1.00 0.00 C ATOM 343 O GLU A 23 -2.521 13.178 10.202 1.00 0.00 O ATOM 344 CB GLU A 23 -4.400 11.483 12.086 1.00 0.00 C ATOM 345 CG GLU A 23 -5.247 11.565 13.344 1.00 0.00 C ATOM 346 CD GLU A 23 -5.270 10.273 14.130 1.00 0.00 C ATOM 347 OE1 GLU A 23 -4.276 9.970 14.824 1.00 0.00 O ATOM 348 OE2 GLU A 23 -6.290 9.563 14.069 1.00 0.00 O ATOM 0 H GLU A 23 -6.310 11.551 10.354 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.596 13.586 11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.591 10.533 11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.346 11.491 12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.865 12.363 13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.267 11.835 13.071 1.00 0.00 H new ATOM 355 N ASP A 24 -3.928 12.061 8.862 1.00 0.00 N ATOM 356 CA ASP A 24 -2.962 11.958 7.774 1.00 0.00 C ATOM 357 C ASP A 24 -3.572 12.488 6.482 1.00 0.00 C ATOM 358 O ASP A 24 -4.341 13.449 6.509 1.00 0.00 O ATOM 359 CB ASP A 24 -2.495 10.505 7.615 1.00 0.00 C ATOM 360 CG ASP A 24 -1.755 9.998 8.842 1.00 0.00 C ATOM 361 OD1 ASP A 24 -0.577 10.369 9.036 1.00 0.00 O ATOM 362 OD2 ASP A 24 -2.351 9.230 9.630 1.00 0.00 O ATOM 0 H ASP A 24 -4.841 11.655 8.658 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.089 12.566 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.358 9.867 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.844 10.428 6.744 1.00 0.00 H new ATOM 367 N LYS A 25 -3.223 11.886 5.352 1.00 0.00 N ATOM 368 CA LYS A 25 -3.752 12.327 4.069 1.00 0.00 C ATOM 369 C LYS A 25 -4.406 11.181 3.305 1.00 0.00 C ATOM 370 O LYS A 25 -5.615 10.980 3.394 1.00 0.00 O ATOM 371 CB LYS A 25 -2.649 12.970 3.228 1.00 0.00 C ATOM 372 CG LYS A 25 -2.297 14.380 3.666 1.00 0.00 C ATOM 373 CD LYS A 25 -1.103 14.921 2.902 1.00 0.00 C ATOM 374 CE LYS A 25 -0.917 16.415 3.137 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.748 16.748 4.579 1.00 0.00 N ATOM 0 H LYS A 25 -2.580 11.096 5.298 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.522 13.072 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.755 12.348 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.964 12.990 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.155 15.034 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.079 14.386 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.203 14.389 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.237 14.734 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.045 16.761 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.779 16.952 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.507 17.755 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.635 16.553 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.016 16.169 4.982 1.00 0.00 H new ATOM 389 N LEU A 26 -3.608 10.426 2.565 1.00 0.00 N ATOM 390 CA LEU A 26 -4.139 9.339 1.750 1.00 0.00 C ATOM 391 C LEU A 26 -3.888 7.991 2.413 1.00 0.00 C ATOM 392 O LEU A 26 -3.049 7.870 3.310 1.00 0.00 O ATOM 393 CB LEU A 26 -3.543 9.347 0.333 1.00 0.00 C ATOM 394 CG LEU A 26 -4.018 10.478 -0.590 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.389 11.806 -0.202 1.00 0.00 C ATOM 396 CD2 LEU A 26 -3.710 10.143 -2.042 1.00 0.00 C ATOM 0 H LEU A 26 -2.596 10.543 2.511 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.214 9.497 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.458 9.405 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.776 8.394 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.098 10.575 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.745 12.587 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.666 12.054 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.304 11.730 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.053 10.955 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.635 10.013 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.221 9.221 -2.319 1.00 0.00 H new ATOM 408 N LEU A 27 -4.613 6.980 1.963 1.00 0.00 N ATOM 409 CA LEU A 27 -4.522 5.656 2.552 1.00 0.00 C ATOM 410 C LEU A 27 -3.658 4.749 1.681 1.00 0.00 C ATOM 411 O LEU A 27 -3.978 4.495 0.516 1.00 0.00 O ATOM 412 CB LEU A 27 -5.927 5.065 2.717 1.00 0.00 C ATOM 413 CG LEU A 27 -6.171 4.275 4.009 1.00 0.00 C ATOM 414 CD1 LEU A 27 -7.626 3.839 4.092 1.00 0.00 C ATOM 415 CD2 LEU A 27 -5.251 3.068 4.093 1.00 0.00 C ATOM 0 H LEU A 27 -5.273 7.053 1.189 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.055 5.733 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.651 5.878 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.127 4.410 1.869 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.949 4.927 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.786 3.279 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.270 4.718 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.866 3.207 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.445 2.526 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.434 2.411 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.213 3.400 4.078 1.00 0.00 H new ATOM 427 N PHE A 28 -2.552 4.281 2.242 1.00 0.00 N ATOM 428 CA PHE A 28 -1.667 3.364 1.543 1.00 0.00 C ATOM 429 C PHE A 28 -2.053 1.933 1.887 1.00 0.00 C ATOM 430 O PHE A 28 -1.821 1.470 3.004 1.00 0.00 O ATOM 431 CB PHE A 28 -0.204 3.634 1.927 1.00 0.00 C ATOM 432 CG PHE A 28 0.788 2.752 1.220 1.00 0.00 C ATOM 433 CD1 PHE A 28 1.130 1.511 1.740 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.378 3.161 0.035 1.00 0.00 C ATOM 435 CE1 PHE A 28 2.039 0.698 1.093 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.289 2.350 -0.617 1.00 0.00 C ATOM 437 CZ PHE A 28 2.619 1.117 -0.087 1.00 0.00 C ATOM 0 H PHE A 28 -2.246 4.524 3.184 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.768 3.514 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.032 4.676 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.091 3.500 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.679 1.177 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.124 4.123 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.296 -0.265 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.742 2.680 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.330 0.482 -0.596 1.00 0.00 H new ATOM 447 N VAL A 29 -2.660 1.241 0.939 1.00 0.00 N ATOM 448 CA VAL A 29 -3.156 -0.100 1.186 1.00 0.00 C ATOM 449 C VAL A 29 -2.221 -1.155 0.603 1.00 0.00 C ATOM 450 O VAL A 29 -2.047 -1.245 -0.616 1.00 0.00 O ATOM 451 CB VAL A 29 -4.567 -0.294 0.600 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.124 -1.659 0.970 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.500 0.811 1.071 1.00 0.00 C ATOM 0 H VAL A 29 -2.821 1.585 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.201 -0.224 2.268 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.493 -0.241 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.121 -1.772 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.471 -2.438 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.180 -1.747 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.492 0.656 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.565 0.793 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.113 1.777 0.746 1.00 0.00 H new ATOM 463 N ASP A 30 -1.609 -1.927 1.486 1.00 0.00 N ATOM 464 CA ASP A 30 -0.784 -3.060 1.090 1.00 0.00 C ATOM 465 C ASP A 30 -1.637 -4.320 1.021 1.00 0.00 C ATOM 466 O ASP A 30 -2.199 -4.754 2.029 1.00 0.00 O ATOM 467 CB ASP A 30 0.372 -3.252 2.078 1.00 0.00 C ATOM 468 CG ASP A 30 1.108 -4.569 1.890 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.855 -4.705 0.899 1.00 0.00 O ATOM 470 OD2 ASP A 30 0.958 -5.462 2.753 1.00 0.00 O ATOM 0 H ASP A 30 -1.669 -1.788 2.495 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.363 -2.862 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.078 -2.429 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.016 -3.202 3.095 1.00 0.00 H new ATOM 475 N CYS A 31 -1.766 -4.878 -0.172 1.00 0.00 N ATOM 476 CA CYS A 31 -2.550 -6.084 -0.364 1.00 0.00 C ATOM 477 C CYS A 31 -1.666 -7.215 -0.860 1.00 0.00 C ATOM 478 O CYS A 31 -1.135 -7.169 -1.970 1.00 0.00 O ATOM 479 CB CYS A 31 -3.685 -5.836 -1.357 1.00 0.00 C ATOM 480 SG CYS A 31 -4.861 -4.571 -0.829 1.00 0.00 S ATOM 0 H CYS A 31 -1.337 -4.513 -1.022 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.982 -6.367 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.257 -5.542 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.222 -6.771 -1.520 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.804 -4.438 0.463 1.00 0.00 H new ATOM 486 N PHE A 32 -1.506 -8.226 -0.031 1.00 0.00 N ATOM 487 CA PHE A 32 -0.701 -9.375 -0.389 1.00 0.00 C ATOM 488 C PHE A 32 -1.447 -10.652 -0.046 1.00 0.00 C ATOM 489 O PHE A 32 -2.322 -10.652 0.820 1.00 0.00 O ATOM 490 CB PHE A 32 0.645 -9.341 0.346 1.00 0.00 C ATOM 491 CG PHE A 32 0.532 -9.577 1.825 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.100 -8.572 2.673 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.860 -10.810 2.364 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.004 -8.792 4.031 1.00 0.00 C ATOM 495 CE2 PHE A 32 0.758 -11.035 3.721 1.00 0.00 C ATOM 496 CZ PHE A 32 0.326 -10.025 4.555 1.00 0.00 C ATOM 0 H PHE A 32 -1.924 -8.275 0.898 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.510 -9.346 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.303 -10.096 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.117 -8.373 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.158 -7.605 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.199 -11.604 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.343 -8.000 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.016 -12.001 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.246 -10.199 5.618 1.00 0.00 H new ATOM 506 N THR A 33 -1.121 -11.727 -0.739 1.00 0.00 N ATOM 507 CA THR A 33 -1.674 -13.026 -0.409 1.00 0.00 C ATOM 508 C THR A 33 -0.609 -13.896 0.272 1.00 0.00 C ATOM 509 O THR A 33 0.558 -13.511 0.347 1.00 0.00 O ATOM 510 CB THR A 33 -2.242 -13.727 -1.664 1.00 0.00 C ATOM 511 OG1 THR A 33 -2.885 -14.961 -1.305 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.144 -13.991 -2.686 1.00 0.00 C ATOM 0 H THR A 33 -0.478 -11.726 -1.531 1.00 0.00 H new ATOM 0 HA THR A 33 -2.501 -12.881 0.287 1.00 0.00 H new ATOM 0 HB THR A 33 -2.979 -13.062 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.551 -14.792 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.571 -14.485 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.693 -13.046 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.381 -14.632 -2.243 1.00 0.00 H new ATOM 520 N THR A 34 -1.015 -15.065 0.756 1.00 0.00 N ATOM 521 CA THR A 34 -0.143 -15.941 1.539 1.00 0.00 C ATOM 522 C THR A 34 0.922 -16.630 0.673 1.00 0.00 C ATOM 523 O THR A 34 1.772 -17.361 1.183 1.00 0.00 O ATOM 524 CB THR A 34 -0.987 -17.014 2.252 1.00 0.00 C ATOM 525 OG1 THR A 34 -2.238 -16.445 2.659 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.264 -17.568 3.474 1.00 0.00 C ATOM 0 H THR A 34 -1.956 -15.434 0.618 1.00 0.00 H new ATOM 0 HA THR A 34 0.373 -15.315 2.267 1.00 0.00 H new ATOM 0 HB THR A 34 -1.155 -17.833 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.776 -17.128 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.887 -18.323 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.679 -18.019 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.067 -16.759 4.178 1.00 0.00 H new ATOM 534 N TRP A 35 0.872 -16.401 -0.631 1.00 0.00 N ATOM 535 CA TRP A 35 1.835 -17.004 -1.543 1.00 0.00 C ATOM 536 C TRP A 35 3.148 -16.225 -1.525 1.00 0.00 C ATOM 537 O TRP A 35 3.235 -15.131 -2.091 1.00 0.00 O ATOM 538 CB TRP A 35 1.280 -17.040 -2.967 1.00 0.00 C ATOM 539 CG TRP A 35 0.017 -17.828 -3.119 1.00 0.00 C ATOM 540 CD1 TRP A 35 -1.258 -17.384 -2.921 1.00 0.00 C ATOM 541 CD2 TRP A 35 -0.091 -19.197 -3.522 1.00 0.00 C ATOM 542 NE1 TRP A 35 -2.152 -18.393 -3.164 1.00 0.00 N ATOM 543 CE2 TRP A 35 -1.460 -19.520 -3.533 1.00 0.00 C ATOM 544 CE3 TRP A 35 0.838 -20.186 -3.864 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.922 -20.783 -3.885 1.00 0.00 C ATOM 546 CZ3 TRP A 35 0.377 -21.440 -4.212 1.00 0.00 C ATOM 547 CH2 TRP A 35 -0.993 -21.731 -4.216 1.00 0.00 C ATOM 0 H TRP A 35 0.178 -15.804 -1.081 1.00 0.00 H new ATOM 0 HA TRP A 35 2.021 -18.025 -1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.098 -16.018 -3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.038 -17.460 -3.629 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.524 -16.382 -2.617 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.166 -18.319 -3.084 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.897 -19.972 -3.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.978 -21.008 -3.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.084 -22.209 -4.486 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.323 -22.724 -4.486 1.00 0.00 H new ATOM 558 N CYS A 36 4.151 -16.791 -0.851 1.00 0.00 N ATOM 559 CA CYS A 36 5.476 -16.180 -0.738 1.00 0.00 C ATOM 560 C CYS A 36 5.404 -14.827 -0.030 1.00 0.00 C ATOM 561 O CYS A 36 4.345 -14.425 0.462 1.00 0.00 O ATOM 562 CB CYS A 36 6.118 -16.032 -2.122 1.00 0.00 C ATOM 563 SG CYS A 36 6.379 -17.602 -2.979 1.00 0.00 S ATOM 0 H CYS A 36 4.067 -17.686 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 36 6.100 -16.839 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.486 -15.393 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.076 -15.524 -2.015 1.00 0.00 H new ATOM 0 HG CYS A 36 6.923 -17.378 -4.139 1.00 0.00 H new ATOM 569 N GLY A 37 6.531 -14.133 0.044 1.00 0.00 N ATOM 570 CA GLY A 37 6.546 -12.830 0.676 1.00 0.00 C ATOM 571 C GLY A 37 7.353 -11.802 -0.095 1.00 0.00 C ATOM 572 O GLY A 37 8.369 -11.319 0.404 1.00 0.00 O ATOM 0 H GLY A 37 7.431 -14.447 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.522 -12.473 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.956 -12.925 1.681 1.00 0.00 H new ATOM 576 N PRO A 38 6.926 -11.436 -1.321 1.00 0.00 N ATOM 577 CA PRO A 38 7.604 -10.406 -2.117 1.00 0.00 C ATOM 578 C PRO A 38 7.627 -9.053 -1.409 1.00 0.00 C ATOM 579 O PRO A 38 8.639 -8.352 -1.427 1.00 0.00 O ATOM 580 CB PRO A 38 6.771 -10.327 -3.403 1.00 0.00 C ATOM 581 CG PRO A 38 6.040 -11.622 -3.463 1.00 0.00 C ATOM 582 CD PRO A 38 5.769 -12.000 -2.035 1.00 0.00 C ATOM 0 HA PRO A 38 8.650 -10.655 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.081 -9.484 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.406 -10.191 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.111 -11.522 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.635 -12.385 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.829 -11.580 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.704 -13.081 -1.908 1.00 0.00 H new ATOM 590 N CYS A 39 6.513 -8.691 -0.776 1.00 0.00 N ATOM 591 CA CYS A 39 6.424 -7.431 -0.047 1.00 0.00 C ATOM 592 C CYS A 39 7.404 -7.423 1.133 1.00 0.00 C ATOM 593 O CYS A 39 7.944 -6.377 1.501 1.00 0.00 O ATOM 594 CB CYS A 39 4.989 -7.195 0.440 1.00 0.00 C ATOM 595 SG CYS A 39 4.704 -5.558 1.160 1.00 0.00 S ATOM 0 H CYS A 39 5.662 -9.252 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 39 6.695 -6.620 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.306 -7.334 -0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.741 -7.953 1.182 1.00 0.00 H new ATOM 0 HG CYS A 39 3.429 -5.305 1.172 1.00 0.00 H new ATOM 601 N LYS A 40 7.659 -8.601 1.698 1.00 0.00 N ATOM 602 CA LYS A 40 8.600 -8.733 2.808 1.00 0.00 C ATOM 603 C LYS A 40 10.028 -8.494 2.332 1.00 0.00 C ATOM 604 O LYS A 40 10.887 -8.040 3.092 1.00 0.00 O ATOM 605 CB LYS A 40 8.494 -10.122 3.445 1.00 0.00 C ATOM 606 CG LYS A 40 7.112 -10.446 3.988 1.00 0.00 C ATOM 607 CD LYS A 40 7.076 -11.822 4.639 1.00 0.00 C ATOM 608 CE LYS A 40 7.978 -11.896 5.863 1.00 0.00 C ATOM 609 NZ LYS A 40 7.526 -10.988 6.950 1.00 0.00 N ATOM 0 H LYS A 40 7.227 -9.478 1.406 1.00 0.00 H new ATOM 0 HA LYS A 40 8.345 -7.982 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.768 -10.873 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.219 -10.196 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.820 -9.690 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.383 -10.406 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.052 -12.060 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.386 -12.575 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.001 -12.921 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.998 -11.638 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.061 -11.192 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.688 -10.000 6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.512 -11.135 7.126 1.00 0.00 H new ATOM 623 N ARG A 41 10.278 -8.803 1.070 1.00 0.00 N ATOM 624 CA ARG A 41 11.582 -8.562 0.473 1.00 0.00 C ATOM 625 C ARG A 41 11.753 -7.075 0.186 1.00 0.00 C ATOM 626 O ARG A 41 12.858 -6.533 0.256 1.00 0.00 O ATOM 627 CB ARG A 41 11.734 -9.391 -0.801 1.00 0.00 C ATOM 628 CG ARG A 41 13.125 -9.372 -1.388 1.00 0.00 C ATOM 629 CD ARG A 41 13.246 -10.405 -2.486 1.00 0.00 C ATOM 630 NE ARG A 41 13.054 -11.763 -1.971 1.00 0.00 N ATOM 631 CZ ARG A 41 12.965 -12.853 -2.732 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.058 -12.766 -4.054 1.00 0.00 N ATOM 633 NH2 ARG A 41 12.781 -14.042 -2.170 1.00 0.00 N ATOM 0 H ARG A 41 9.595 -9.221 0.439 1.00 0.00 H new ATOM 0 HA ARG A 41 12.363 -8.867 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.457 -10.423 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.031 -9.022 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.346 -8.381 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.859 -9.573 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.507 -10.201 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.228 -10.328 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 41 12.984 -11.882 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.199 -11.858 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.988 -13.607 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.708 -14.121 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.713 -14.876 -2.753 1.00 0.00 H new ATOM 647 N LEU A 42 10.638 -6.415 -0.108 1.00 0.00 N ATOM 648 CA LEU A 42 10.628 -4.973 -0.315 1.00 0.00 C ATOM 649 C LEU A 42 11.037 -4.252 0.962 1.00 0.00 C ATOM 650 O LEU A 42 11.679 -3.202 0.917 1.00 0.00 O ATOM 651 CB LEU A 42 9.237 -4.503 -0.740 1.00 0.00 C ATOM 652 CG LEU A 42 8.728 -5.072 -2.062 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.294 -4.630 -2.306 1.00 0.00 C ATOM 654 CD2 LEU A 42 9.625 -4.628 -3.208 1.00 0.00 C ATOM 0 H LEU A 42 9.725 -6.859 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 42 11.341 -4.738 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.528 -4.765 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.246 -3.415 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 42 8.751 -6.160 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.942 -5.042 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.660 -4.989 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.251 -3.542 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.250 -5.041 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.628 -3.540 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.640 -4.985 -3.035 1.00 0.00 H new ATOM 666 N SER A 43 10.674 -4.834 2.100 1.00 0.00 N ATOM 667 CA SER A 43 10.987 -4.249 3.397 1.00 0.00 C ATOM 668 C SER A 43 12.498 -4.138 3.591 1.00 0.00 C ATOM 669 O SER A 43 12.988 -3.196 4.210 1.00 0.00 O ATOM 670 CB SER A 43 10.374 -5.095 4.513 1.00 0.00 C ATOM 671 OG SER A 43 9.001 -5.353 4.261 1.00 0.00 O ATOM 0 H SER A 43 10.161 -5.714 2.149 1.00 0.00 H new ATOM 0 HA SER A 43 10.562 -3.246 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.915 -6.037 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.481 -4.578 5.467 1.00 0.00 H new ATOM 0 HG SER A 43 8.632 -5.897 4.988 1.00 0.00 H new ATOM 677 N LYS A 44 13.232 -5.089 3.034 1.00 0.00 N ATOM 678 CA LYS A 44 14.680 -5.102 3.168 1.00 0.00 C ATOM 679 C LYS A 44 15.316 -3.940 2.404 1.00 0.00 C ATOM 680 O LYS A 44 16.032 -3.123 2.984 1.00 0.00 O ATOM 681 CB LYS A 44 15.254 -6.430 2.666 1.00 0.00 C ATOM 682 CG LYS A 44 16.764 -6.533 2.826 1.00 0.00 C ATOM 683 CD LYS A 44 17.313 -7.818 2.232 1.00 0.00 C ATOM 684 CE LYS A 44 16.784 -9.051 2.949 1.00 0.00 C ATOM 685 NZ LYS A 44 17.348 -10.299 2.377 1.00 0.00 N ATOM 0 H LYS A 44 12.850 -5.860 2.486 1.00 0.00 H new ATOM 0 HA LYS A 44 14.916 -4.989 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.782 -7.250 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.998 -6.554 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.239 -5.679 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.021 -6.484 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.048 -7.871 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.402 -7.806 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.032 -8.991 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.697 -9.076 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.966 -11.119 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.090 -10.368 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.384 -10.286 2.468 1.00 0.00 H new ATOM 699 N VAL A 45 15.034 -3.861 1.110 1.00 0.00 N ATOM 700 CA VAL A 45 15.698 -2.899 0.243 1.00 0.00 C ATOM 701 C VAL A 45 15.046 -1.514 0.266 1.00 0.00 C ATOM 702 O VAL A 45 15.738 -0.502 0.367 1.00 0.00 O ATOM 703 CB VAL A 45 15.763 -3.411 -1.211 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.794 -4.520 -1.338 1.00 0.00 C ATOM 705 CG2 VAL A 45 14.398 -3.896 -1.689 1.00 0.00 C ATOM 0 H VAL A 45 14.350 -4.452 0.638 1.00 0.00 H new ATOM 0 HA VAL A 45 16.707 -2.793 0.641 1.00 0.00 H new ATOM 0 HB VAL A 45 16.064 -2.578 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.827 -4.870 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.775 -4.140 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.521 -5.347 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.477 -4.250 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.057 -4.710 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.683 -3.074 -1.643 1.00 0.00 H new ATOM 715 N VAL A 46 13.725 -1.468 0.176 1.00 0.00 N ATOM 716 CA VAL A 46 13.014 -0.200 0.044 1.00 0.00 C ATOM 717 C VAL A 46 12.849 0.494 1.390 1.00 0.00 C ATOM 718 O VAL A 46 13.168 1.674 1.536 1.00 0.00 O ATOM 719 CB VAL A 46 11.619 -0.399 -0.589 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.901 0.931 -0.741 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.729 -1.100 -1.933 1.00 0.00 C ATOM 0 H VAL A 46 13.123 -2.291 0.192 1.00 0.00 H new ATOM 0 HA VAL A 46 13.621 0.427 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 46 11.034 -1.031 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.921 0.766 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.779 1.393 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.487 1.590 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.734 -1.229 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.338 -0.499 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.195 -2.076 -1.797 1.00 0.00 H new ATOM 731 N PHE A 47 12.377 -0.255 2.379 1.00 0.00 N ATOM 732 CA PHE A 47 12.029 0.312 3.680 1.00 0.00 C ATOM 733 C PHE A 47 13.266 0.726 4.471 1.00 0.00 C ATOM 734 O PHE A 47 13.163 1.339 5.533 1.00 0.00 O ATOM 735 CB PHE A 47 11.184 -0.682 4.480 1.00 0.00 C ATOM 736 CG PHE A 47 9.784 -0.836 3.954 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.553 -1.343 2.685 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.697 -0.483 4.736 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.267 -1.494 2.207 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.409 -0.629 4.264 1.00 0.00 C ATOM 741 CZ PHE A 47 7.193 -1.138 2.997 1.00 0.00 C ATOM 0 H PHE A 47 12.225 -1.261 2.306 1.00 0.00 H new ATOM 0 HA PHE A 47 11.444 1.214 3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.676 -1.655 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.140 -0.356 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.390 -1.623 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.860 -0.088 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.102 -1.890 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.571 -0.346 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.186 -1.257 2.626 1.00 0.00 H new ATOM 751 N LYS A 48 14.431 0.419 3.929 1.00 0.00 N ATOM 752 CA LYS A 48 15.687 0.768 4.565 1.00 0.00 C ATOM 753 C LYS A 48 15.978 2.258 4.403 1.00 0.00 C ATOM 754 O LYS A 48 16.669 2.863 5.225 1.00 0.00 O ATOM 755 CB LYS A 48 16.809 -0.069 3.954 1.00 0.00 C ATOM 756 CG LYS A 48 18.191 0.213 4.523 1.00 0.00 C ATOM 757 CD LYS A 48 19.233 -0.745 3.964 1.00 0.00 C ATOM 758 CE LYS A 48 19.321 -0.661 2.448 1.00 0.00 C ATOM 759 NZ LYS A 48 19.811 0.665 1.987 1.00 0.00 N ATOM 0 H LYS A 48 14.532 -0.075 3.043 1.00 0.00 H new ATOM 0 HA LYS A 48 15.620 0.556 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.578 -1.124 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.831 0.106 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.478 1.239 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.162 0.127 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.207 -0.517 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.984 -1.765 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.988 -1.441 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.338 -0.853 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.968 0.639 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.103 1.394 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.705 0.891 2.468 1.00 0.00 H new ATOM 773 N ASP A 49 15.437 2.845 3.346 1.00 0.00 N ATOM 774 CA ASP A 49 15.660 4.256 3.058 1.00 0.00 C ATOM 775 C ASP A 49 14.867 5.137 4.018 1.00 0.00 C ATOM 776 O ASP A 49 13.660 4.962 4.183 1.00 0.00 O ATOM 777 CB ASP A 49 15.275 4.583 1.619 1.00 0.00 C ATOM 778 CG ASP A 49 15.675 5.992 1.228 1.00 0.00 C ATOM 779 OD1 ASP A 49 14.924 6.944 1.529 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.753 6.151 0.619 1.00 0.00 O ATOM 0 H ASP A 49 14.839 2.366 2.672 1.00 0.00 H new ATOM 0 HA ASP A 49 16.723 4.458 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.752 3.871 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.198 4.465 1.496 1.00 0.00 H new ATOM 785 N SER A 50 15.558 6.083 4.635 1.00 0.00 N ATOM 786 CA SER A 50 14.967 6.945 5.649 1.00 0.00 C ATOM 787 C SER A 50 13.950 7.923 5.057 1.00 0.00 C ATOM 788 O SER A 50 12.848 8.079 5.587 1.00 0.00 O ATOM 789 CB SER A 50 16.077 7.709 6.366 1.00 0.00 C ATOM 790 OG SER A 50 16.993 8.259 5.431 1.00 0.00 O ATOM 0 H SER A 50 16.542 6.275 4.448 1.00 0.00 H new ATOM 0 HA SER A 50 14.428 6.314 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.645 8.506 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.603 7.041 7.048 1.00 0.00 H new ATOM 0 HG SER A 50 17.696 8.746 5.909 1.00 0.00 H new ATOM 796 N LEU A 51 14.321 8.576 3.961 1.00 0.00 N ATOM 797 CA LEU A 51 13.472 9.590 3.352 1.00 0.00 C ATOM 798 C LEU A 51 12.199 8.967 2.800 1.00 0.00 C ATOM 799 O LEU A 51 11.106 9.514 2.969 1.00 0.00 O ATOM 800 CB LEU A 51 14.229 10.316 2.242 1.00 0.00 C ATOM 801 CG LEU A 51 15.466 11.092 2.697 1.00 0.00 C ATOM 802 CD1 LEU A 51 16.153 11.732 1.504 1.00 0.00 C ATOM 803 CD2 LEU A 51 15.086 12.151 3.721 1.00 0.00 C ATOM 0 H LEU A 51 15.205 8.420 3.477 1.00 0.00 H new ATOM 0 HA LEU A 51 13.195 10.312 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.534 9.585 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.546 11.009 1.751 1.00 0.00 H new ATOM 0 HG LEU A 51 16.159 10.394 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.032 12.281 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.458 10.957 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.463 12.418 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.979 12.693 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.375 12.848 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.631 11.672 4.588 1.00 0.00 H new ATOM 815 N VAL A 52 12.349 7.815 2.158 1.00 0.00 N ATOM 816 CA VAL A 52 11.210 7.081 1.621 1.00 0.00 C ATOM 817 C VAL A 52 10.318 6.572 2.758 1.00 0.00 C ATOM 818 O VAL A 52 9.092 6.502 2.621 1.00 0.00 O ATOM 819 CB VAL A 52 11.675 5.901 0.732 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.496 5.083 0.230 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.496 6.414 -0.442 1.00 0.00 C ATOM 0 H VAL A 52 13.251 7.368 1.996 1.00 0.00 H new ATOM 0 HA VAL A 52 10.632 7.765 1.000 1.00 0.00 H new ATOM 0 HB VAL A 52 12.298 5.249 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.859 4.264 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.946 4.678 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.836 5.720 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.816 5.573 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.889 7.093 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.372 6.944 -0.069 1.00 0.00 H new ATOM 831 N ALA A 53 10.937 6.243 3.890 1.00 0.00 N ATOM 832 CA ALA A 53 10.198 5.781 5.059 1.00 0.00 C ATOM 833 C ALA A 53 9.339 6.902 5.626 1.00 0.00 C ATOM 834 O ALA A 53 8.136 6.737 5.818 1.00 0.00 O ATOM 835 CB ALA A 53 11.152 5.261 6.127 1.00 0.00 C ATOM 0 H ALA A 53 11.948 6.288 4.021 1.00 0.00 H new ATOM 0 HA ALA A 53 9.546 4.965 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.581 4.921 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.730 4.429 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.828 6.060 6.431 1.00 0.00 H new ATOM 841 N ASP A 54 9.964 8.049 5.866 1.00 0.00 N ATOM 842 CA ASP A 54 9.260 9.213 6.396 1.00 0.00 C ATOM 843 C ASP A 54 8.133 9.630 5.462 1.00 0.00 C ATOM 844 O ASP A 54 7.042 9.988 5.902 1.00 0.00 O ATOM 845 CB ASP A 54 10.229 10.385 6.587 1.00 0.00 C ATOM 846 CG ASP A 54 9.524 11.660 7.012 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.212 11.800 8.212 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.278 12.529 6.147 1.00 0.00 O ATOM 0 H ASP A 54 10.959 8.199 5.702 1.00 0.00 H new ATOM 0 HA ASP A 54 8.836 8.939 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.973 10.118 7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.766 10.564 5.655 1.00 0.00 H new ATOM 853 N TYR A 55 8.402 9.553 4.167 1.00 0.00 N ATOM 854 CA TYR A 55 7.446 9.972 3.157 1.00 0.00 C ATOM 855 C TYR A 55 6.150 9.171 3.252 1.00 0.00 C ATOM 856 O TYR A 55 5.078 9.743 3.445 1.00 0.00 O ATOM 857 CB TYR A 55 8.072 9.820 1.767 1.00 0.00 C ATOM 858 CG TYR A 55 7.228 10.355 0.633 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.194 11.716 0.350 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.482 9.499 -0.169 1.00 0.00 C ATOM 861 CE1 TYR A 55 6.439 12.206 -0.696 1.00 0.00 C ATOM 862 CE2 TYR A 55 5.722 9.984 -1.215 1.00 0.00 C ATOM 863 CZ TYR A 55 5.705 11.336 -1.474 1.00 0.00 C ATOM 864 OH TYR A 55 4.956 11.821 -2.520 1.00 0.00 O ATOM 0 H TYR A 55 9.282 9.201 3.790 1.00 0.00 H new ATOM 0 HA TYR A 55 7.196 11.019 3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.034 10.332 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.271 8.764 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.767 12.400 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.497 8.437 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.423 13.266 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.144 9.307 -1.826 1.00 0.00 H new ATOM 0 HH TYR A 55 4.500 11.078 -2.968 1.00 0.00 H new ATOM 874 N PHE A 56 6.249 7.851 3.143 1.00 0.00 N ATOM 875 CA PHE A 56 5.066 7.004 3.158 1.00 0.00 C ATOM 876 C PHE A 56 4.433 6.938 4.542 1.00 0.00 C ATOM 877 O PHE A 56 3.214 6.955 4.669 1.00 0.00 O ATOM 878 CB PHE A 56 5.401 5.592 2.682 1.00 0.00 C ATOM 879 CG PHE A 56 5.685 5.494 1.212 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.769 5.961 0.284 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.867 4.935 0.760 1.00 0.00 C ATOM 882 CE1 PHE A 56 5.026 5.871 -1.072 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.130 4.841 -0.594 1.00 0.00 C ATOM 884 CZ PHE A 56 6.209 5.312 -1.511 1.00 0.00 C ATOM 0 H PHE A 56 7.131 7.348 3.044 1.00 0.00 H new ATOM 0 HA PHE A 56 4.347 7.454 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.268 5.230 3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.569 4.931 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.843 6.401 0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.592 4.568 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.303 6.237 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.055 4.400 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.415 5.243 -2.569 1.00 0.00 H new ATOM 894 N ASN A 57 5.265 6.872 5.572 1.00 0.00 N ATOM 895 CA ASN A 57 4.777 6.706 6.940 1.00 0.00 C ATOM 896 C ASN A 57 4.044 7.950 7.428 1.00 0.00 C ATOM 897 O ASN A 57 3.009 7.850 8.081 1.00 0.00 O ATOM 898 CB ASN A 57 5.940 6.392 7.887 1.00 0.00 C ATOM 899 CG ASN A 57 5.497 6.111 9.314 1.00 0.00 C ATOM 900 OD1 ASN A 57 6.189 6.472 10.267 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.367 5.446 9.479 1.00 0.00 N ATOM 0 H ASN A 57 6.280 6.930 5.490 1.00 0.00 H new ATOM 0 HA ASN A 57 4.074 5.873 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.485 5.528 7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.635 7.232 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.043 5.216 10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.819 5.163 8.667 1.00 0.00 H new ATOM 908 N ARG A 58 4.578 9.120 7.115 1.00 0.00 N ATOM 909 CA ARG A 58 4.045 10.359 7.664 1.00 0.00 C ATOM 910 C ARG A 58 2.931 10.948 6.798 1.00 0.00 C ATOM 911 O ARG A 58 1.966 11.501 7.319 1.00 0.00 O ATOM 912 CB ARG A 58 5.169 11.378 7.840 1.00 0.00 C ATOM 913 CG ARG A 58 4.773 12.571 8.692 1.00 0.00 C ATOM 914 CD ARG A 58 5.964 13.154 9.438 1.00 0.00 C ATOM 915 NE ARG A 58 7.075 13.497 8.552 1.00 0.00 N ATOM 916 CZ ARG A 58 7.446 14.744 8.273 1.00 0.00 C ATOM 917 NH1 ARG A 58 6.758 15.771 8.759 1.00 0.00 N ATOM 918 NH2 ARG A 58 8.501 14.958 7.498 1.00 0.00 N ATOM 0 H ARG A 58 5.374 9.239 6.489 1.00 0.00 H new ATOM 0 HA ARG A 58 3.608 10.123 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.028 10.885 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.486 11.731 6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.330 13.339 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.009 12.269 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.647 14.046 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.307 12.436 10.183 1.00 0.00 H new ATOM 0 HE ARG A 58 7.598 12.734 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.942 15.605 9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.046 16.725 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.024 14.169 7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.789 15.912 7.281 1.00 0.00 H new ATOM 932 N HIS A 59 3.062 10.833 5.482 1.00 0.00 N ATOM 933 CA HIS A 59 2.105 11.472 4.575 1.00 0.00 C ATOM 934 C HIS A 59 0.926 10.555 4.274 1.00 0.00 C ATOM 935 O HIS A 59 -0.134 11.015 3.845 1.00 0.00 O ATOM 936 CB HIS A 59 2.784 11.893 3.264 1.00 0.00 C ATOM 937 CG HIS A 59 3.818 12.970 3.429 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.761 14.177 2.767 1.00 0.00 N ATOM 939 CD2 HIS A 59 4.953 13.008 4.171 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.810 14.907 3.095 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.551 14.223 3.945 1.00 0.00 N ATOM 0 H HIS A 59 3.808 10.313 5.020 1.00 0.00 H new ATOM 0 HA HIS A 59 1.730 12.363 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.254 11.019 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.021 12.240 2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.319 12.226 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.026 15.900 2.728 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.424 14.544 4.365 1.00 0.00 H new ATOM 950 N PHE A 60 1.105 9.263 4.507 1.00 0.00 N ATOM 951 CA PHE A 60 0.072 8.286 4.195 1.00 0.00 C ATOM 952 C PHE A 60 -0.184 7.373 5.390 1.00 0.00 C ATOM 953 O PHE A 60 0.658 7.246 6.278 1.00 0.00 O ATOM 954 CB PHE A 60 0.483 7.440 2.983 1.00 0.00 C ATOM 955 CG PHE A 60 0.790 8.242 1.747 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.219 8.602 0.870 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.088 8.634 1.465 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.060 9.338 -0.266 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.374 9.369 0.331 1.00 0.00 C ATOM 960 CZ PHE A 60 1.358 9.722 -0.535 1.00 0.00 C ATOM 0 H PHE A 60 1.954 8.867 4.910 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.844 8.828 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.360 6.850 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.318 6.737 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.236 8.304 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.886 8.362 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.736 9.612 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.391 9.667 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.579 10.298 -1.422 1.00 0.00 H new ATOM 970 N VAL A 61 -1.355 6.755 5.413 1.00 0.00 N ATOM 971 CA VAL A 61 -1.666 5.753 6.422 1.00 0.00 C ATOM 972 C VAL A 61 -1.251 4.377 5.924 1.00 0.00 C ATOM 973 O VAL A 61 -1.772 3.891 4.920 1.00 0.00 O ATOM 974 CB VAL A 61 -3.168 5.740 6.777 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.469 4.681 7.830 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.610 7.109 7.257 1.00 0.00 C ATOM 0 H VAL A 61 -2.106 6.929 4.745 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.111 6.009 7.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.729 5.490 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.534 4.692 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.191 3.699 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.898 4.894 8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.671 7.083 7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.039 7.386 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.438 7.843 6.470 1.00 0.00 H new ATOM 986 N ASN A 62 -0.301 3.764 6.614 1.00 0.00 N ATOM 987 CA ASN A 62 0.238 2.478 6.194 1.00 0.00 C ATOM 988 C ASN A 62 -0.682 1.346 6.640 1.00 0.00 C ATOM 989 O ASN A 62 -0.676 0.945 7.806 1.00 0.00 O ATOM 990 CB ASN A 62 1.647 2.268 6.760 1.00 0.00 C ATOM 991 CG ASN A 62 2.548 3.472 6.551 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.640 4.347 7.412 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.225 3.528 5.417 1.00 0.00 N ATOM 0 H ASN A 62 0.113 4.136 7.468 1.00 0.00 H new ATOM 0 HA ASN A 62 0.300 2.473 5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.577 2.052 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.098 1.396 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.848 4.314 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.124 2.785 4.726 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.483 0.850 5.711 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.436 -0.210 5.998 1.00 0.00 C ATOM 1002 C LEU A 63 -1.949 -1.533 5.421 1.00 0.00 C ATOM 1003 O LEU A 63 -1.597 -1.610 4.247 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.805 0.138 5.406 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.928 -0.850 5.729 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.223 -0.841 7.217 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.179 -0.516 4.932 1.00 0.00 C ATOM 0 H LEU A 63 -1.491 1.168 4.742 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.527 -0.309 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.097 1.125 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.707 0.209 4.323 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.602 -1.851 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.024 -1.548 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.327 -1.128 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.531 0.160 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.966 -1.229 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.512 0.491 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.957 -0.570 3.866 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.929 -2.564 6.250 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.523 -3.895 5.810 1.00 0.00 C ATOM 1021 C LYS A 64 -2.692 -4.864 5.945 1.00 0.00 C ATOM 1022 O LYS A 64 -3.216 -5.062 7.047 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.328 -4.378 6.637 1.00 0.00 C ATOM 1024 CG LYS A 64 0.124 -5.792 6.311 1.00 0.00 C ATOM 1025 CD LYS A 64 1.362 -6.171 7.106 1.00 0.00 C ATOM 1026 CE LYS A 64 1.715 -7.638 6.931 1.00 0.00 C ATOM 1027 NZ LYS A 64 0.693 -8.532 7.539 1.00 0.00 N ATOM 0 H LYS A 64 -2.189 -2.507 7.235 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.225 -3.851 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.508 -3.696 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.587 -4.326 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.681 -6.493 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.335 -5.872 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.202 -5.554 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.195 -5.960 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.809 -7.864 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.686 -7.834 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.134 -9.437 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.300 -8.082 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.071 -8.703 6.854 1.00 0.00 H new ATOM 1041 N MET A 65 -3.110 -5.460 4.835 1.00 0.00 N ATOM 1042 CA MET A 65 -4.252 -6.361 4.857 1.00 0.00 C ATOM 1043 C MET A 65 -4.038 -7.542 3.915 1.00 0.00 C ATOM 1044 O MET A 65 -3.343 -7.435 2.907 1.00 0.00 O ATOM 1045 CB MET A 65 -5.529 -5.603 4.491 1.00 0.00 C ATOM 1046 CG MET A 65 -6.799 -6.302 4.943 1.00 0.00 C ATOM 1047 SD MET A 65 -8.279 -5.318 4.641 1.00 0.00 S ATOM 1048 CE MET A 65 -9.464 -6.203 5.647 1.00 0.00 C ATOM 0 H MET A 65 -2.680 -5.337 3.918 1.00 0.00 H new ATOM 0 HA MET A 65 -4.357 -6.756 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.492 -4.609 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.564 -5.466 3.410 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.889 -7.256 4.423 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.727 -6.525 6.007 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.466 -5.822 5.449 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.425 -7.265 5.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.224 -6.062 6.701 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.637 -8.666 4.268 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.486 -9.900 3.519 1.00 0.00 C ATOM 1060 C ASP A 66 -5.539 -9.994 2.421 1.00 0.00 C ATOM 1061 O ASP A 66 -6.593 -9.362 2.503 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.621 -11.095 4.466 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.547 -11.132 5.539 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -3.665 -10.381 6.533 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.587 -11.922 5.408 1.00 0.00 O ATOM 0 H ASP A 66 -5.243 -8.748 5.084 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.499 -9.909 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.601 -11.064 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.578 -12.017 3.886 1.00 0.00 H new ATOM 1070 N MET A 67 -5.247 -10.777 1.389 1.00 0.00 N ATOM 1071 CA MET A 67 -6.200 -11.024 0.306 1.00 0.00 C ATOM 1072 C MET A 67 -7.130 -12.174 0.664 1.00 0.00 C ATOM 1073 O MET A 67 -7.986 -12.575 -0.128 1.00 0.00 O ATOM 1074 CB MET A 67 -5.476 -11.354 -0.998 1.00 0.00 C ATOM 1075 CG MET A 67 -4.812 -10.161 -1.656 1.00 0.00 C ATOM 1076 SD MET A 67 -4.027 -10.592 -3.218 1.00 0.00 S ATOM 1077 CE MET A 67 -3.519 -8.970 -3.779 1.00 0.00 C ATOM 0 H MET A 67 -4.353 -11.256 1.277 1.00 0.00 H new ATOM 0 HA MET A 67 -6.783 -10.113 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.720 -12.113 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.190 -11.790 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.556 -9.383 -1.828 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.066 -9.744 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.638 -9.064 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.329 -8.511 -4.347 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.280 -8.346 -2.918 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.958 -12.688 1.865 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.742 -13.811 2.346 1.00 0.00 C ATOM 1089 C GLU A 68 -8.641 -13.376 3.496 1.00 0.00 C ATOM 1090 O GLU A 68 -9.803 -13.775 3.584 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.814 -14.923 2.834 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.475 -15.982 1.795 1.00 0.00 C ATOM 1093 CD GLU A 68 -5.687 -15.468 0.601 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -4.540 -15.011 0.779 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.204 -15.550 -0.535 1.00 0.00 O ATOM 0 H GLU A 68 -6.272 -12.341 2.535 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.358 -14.178 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.886 -14.472 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.277 -15.412 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.903 -16.775 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.402 -16.430 1.436 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.096 -12.542 4.364 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.801 -12.118 5.567 1.00 0.00 C ATOM 1104 C LYS A 69 -9.616 -10.841 5.344 1.00 0.00 C ATOM 1105 O LYS A 69 -9.143 -9.879 4.736 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.805 -11.901 6.710 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.451 -11.462 8.013 1.00 0.00 C ATOM 1108 CD LYS A 69 -7.413 -11.188 9.085 1.00 0.00 C ATOM 1109 CE LYS A 69 -8.069 -10.772 10.391 1.00 0.00 C ATOM 1110 NZ LYS A 69 -7.070 -10.421 11.431 1.00 0.00 N ATOM 0 H LYS A 69 -7.164 -12.142 4.260 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.500 -12.913 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.256 -12.827 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.076 -11.150 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.044 -10.564 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.137 -12.235 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.809 -12.081 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.737 -10.402 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.721 -9.917 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.700 -11.584 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.561 -10.143 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.463 -11.244 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.484 -9.629 11.097 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.855 -10.861 5.828 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.668 -9.660 5.889 1.00 0.00 C ATOM 1126 C GLY A 70 -12.190 -9.210 4.542 1.00 0.00 C ATOM 1127 O GLY A 70 -12.948 -9.926 3.883 1.00 0.00 O ATOM 0 H GLY A 70 -11.314 -11.700 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.512 -9.837 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.079 -8.855 6.328 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.764 -8.026 4.130 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.255 -7.396 2.912 1.00 0.00 C ATOM 1133 C GLU A 71 -11.344 -7.704 1.729 1.00 0.00 C ATOM 1134 O GLU A 71 -11.556 -7.200 0.624 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.345 -5.882 3.116 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.213 -5.480 4.297 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.141 -3.995 4.592 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.912 -3.228 3.984 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -12.313 -3.589 5.438 1.00 0.00 O ATOM 0 H GLU A 71 -11.068 -7.474 4.630 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.245 -7.797 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.341 -5.483 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.743 -5.424 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.248 -5.757 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.901 -6.038 5.180 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.337 -8.540 1.967 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.384 -8.883 0.929 1.00 0.00 C ATOM 1148 C GLY A 72 -10.044 -9.481 -0.294 1.00 0.00 C ATOM 1149 O GLY A 72 -9.736 -9.094 -1.421 1.00 0.00 O ATOM 0 H GLY A 72 -10.165 -8.988 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.832 -7.989 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.658 -9.591 1.328 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.961 -10.412 -0.068 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.684 -11.068 -1.153 1.00 0.00 C ATOM 1155 C VAL A 73 -12.549 -10.069 -1.930 1.00 0.00 C ATOM 1156 O VAL A 73 -12.715 -10.187 -3.149 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.562 -12.229 -0.615 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.567 -11.735 0.419 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.277 -12.946 -1.751 1.00 0.00 C ATOM 0 H VAL A 73 -11.224 -10.733 0.864 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.941 -11.481 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.896 -12.939 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.165 -12.574 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.035 -11.287 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.220 -10.990 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.885 -13.755 -1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.918 -12.241 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.541 -13.357 -2.442 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.061 -9.065 -1.227 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.932 -8.066 -1.835 1.00 0.00 C ATOM 1171 C GLU A 74 -13.142 -7.203 -2.810 1.00 0.00 C ATOM 1172 O GLU A 74 -13.515 -7.058 -3.974 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.576 -7.189 -0.757 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.783 -6.412 -1.249 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.886 -7.325 -1.742 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.519 -8.002 -0.906 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -17.109 -7.389 -2.968 1.00 0.00 O ATOM 0 H GLU A 74 -12.887 -8.921 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.722 -8.582 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.876 -7.819 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.832 -6.488 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.164 -5.786 -0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.479 -5.743 -2.054 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.031 -6.653 -2.331 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.166 -5.819 -3.160 1.00 0.00 C ATOM 1186 C LEU A 75 -10.532 -6.652 -4.269 1.00 0.00 C ATOM 1187 O LEU A 75 -10.267 -6.157 -5.364 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.082 -5.159 -2.305 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.599 -4.274 -1.166 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.437 -3.637 -0.422 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.540 -3.206 -1.706 1.00 0.00 C ATOM 0 H LEU A 75 -11.707 -6.770 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.772 -5.036 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.452 -5.940 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.447 -4.555 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.155 -4.898 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.820 -3.011 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.801 -4.417 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.855 -3.025 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.898 -2.587 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.009 -2.583 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.388 -3.683 -2.197 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.315 -7.925 -3.967 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.729 -8.872 -4.908 1.00 0.00 C ATOM 1205 C ARG A 76 -10.522 -8.889 -6.212 1.00 0.00 C ATOM 1206 O ARG A 76 -9.955 -8.738 -7.296 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.717 -10.258 -4.265 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.852 -11.286 -4.965 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.850 -12.586 -4.183 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.885 -13.553 -4.698 1.00 0.00 N ATOM 1211 CZ ARG A 76 -7.112 -14.304 -3.918 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.206 -14.202 -2.597 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.248 -15.157 -4.457 1.00 0.00 N ATOM 0 H ARG A 76 -10.541 -8.332 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.708 -8.572 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.375 -10.160 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.740 -10.632 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.225 -11.460 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.834 -10.910 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.625 -12.376 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.848 -13.024 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.799 -13.658 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.870 -13.549 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.614 -14.777 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.176 -15.237 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.657 -15.732 -3.857 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.837 -9.051 -6.099 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.706 -9.027 -7.269 1.00 0.00 C ATOM 1229 C LYS A 77 -12.938 -7.600 -7.756 1.00 0.00 C ATOM 1230 O LYS A 77 -13.154 -7.372 -8.947 1.00 0.00 O ATOM 1231 CB LYS A 77 -14.048 -9.701 -6.978 1.00 0.00 C ATOM 1232 CG LYS A 77 -13.985 -11.219 -6.989 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.379 -11.823 -6.970 1.00 0.00 C ATOM 1234 CE LYS A 77 -15.359 -13.314 -7.271 1.00 0.00 C ATOM 1235 NZ LYS A 77 -14.719 -14.102 -6.185 1.00 0.00 N ATOM 0 H LYS A 77 -12.321 -9.200 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.200 -9.586 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.408 -9.368 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.778 -9.371 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.450 -11.558 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.421 -11.569 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.833 -11.657 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.005 -11.314 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.380 -13.666 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.824 -13.486 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.729 -15.111 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.736 -13.786 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.243 -13.960 -5.298 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.896 -6.646 -6.832 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.098 -5.238 -7.162 1.00 0.00 C ATOM 1251 C LYS A 78 -12.063 -4.755 -8.178 1.00 0.00 C ATOM 1252 O LYS A 78 -12.411 -4.186 -9.214 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.011 -4.382 -5.891 1.00 0.00 C ATOM 1254 CG LYS A 78 -12.865 -2.887 -6.148 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.159 -2.242 -6.624 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.177 -2.143 -5.501 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.375 -1.365 -5.906 1.00 0.00 N ATOM 0 H LYS A 78 -12.723 -6.823 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.089 -5.135 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.906 -4.550 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.162 -4.721 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.535 -2.396 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.088 -2.725 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.948 -1.246 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.577 -2.825 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.481 -3.145 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.715 -1.673 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.045 -1.321 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.089 -0.401 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.831 -1.827 -6.718 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.797 -5.014 -7.894 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.716 -4.525 -8.738 1.00 0.00 C ATOM 1273 C TYR A 79 -9.280 -5.591 -9.737 1.00 0.00 C ATOM 1274 O TYR A 79 -8.431 -5.341 -10.594 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.539 -4.072 -7.871 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.917 -2.985 -6.886 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.065 -1.669 -7.303 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.147 -3.276 -5.548 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -9.424 -0.674 -6.414 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.512 -2.285 -4.654 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.648 -0.987 -5.094 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.016 0.001 -4.210 1.00 0.00 O ATOM 0 H TYR A 79 -10.492 -5.559 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.078 -3.669 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.145 -4.929 -7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.738 -3.709 -8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.897 -1.419 -8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.039 -4.292 -5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.528 0.346 -6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.689 -2.528 -3.617 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.136 -0.386 -3.318 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.880 -6.775 -9.618 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.603 -7.863 -10.541 1.00 0.00 C ATOM 1294 C GLY A 80 -8.171 -8.342 -10.460 1.00 0.00 C ATOM 1295 O GLY A 80 -7.587 -8.761 -11.462 1.00 0.00 O ATOM 0 H GLY A 80 -10.559 -7.000 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.274 -8.695 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.816 -7.535 -11.558 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.607 -8.296 -9.264 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.219 -8.656 -9.068 1.00 0.00 C ATOM 1301 C VAL A 81 -6.060 -10.160 -8.870 1.00 0.00 C ATOM 1302 O VAL A 81 -6.838 -10.795 -8.158 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.614 -7.908 -7.867 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.518 -6.419 -8.160 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.428 -8.152 -6.603 1.00 0.00 C ATOM 0 H VAL A 81 -8.094 -8.011 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.682 -8.364 -9.970 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.609 -8.295 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.088 -5.906 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.884 -6.260 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.514 -6.022 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.978 -7.612 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.449 -7.801 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.441 -9.219 -6.379 1.00 0.00 H new ATOM 1315 N HIS A 82 -5.066 -10.732 -9.538 1.00 0.00 N ATOM 1316 CA HIS A 82 -4.757 -12.150 -9.391 1.00 0.00 C ATOM 1317 C HIS A 82 -3.289 -12.318 -9.024 1.00 0.00 C ATOM 1318 O HIS A 82 -2.771 -13.434 -8.968 1.00 0.00 O ATOM 1319 CB HIS A 82 -5.061 -12.911 -10.688 1.00 0.00 C ATOM 1320 CG HIS A 82 -6.473 -12.754 -11.173 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.819 -11.922 -12.218 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -7.629 -13.321 -10.752 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -8.123 -11.982 -12.415 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -8.636 -12.823 -11.541 1.00 0.00 N ATOM 0 H HIS A 82 -4.458 -10.235 -10.189 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.381 -12.562 -8.597 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.380 -12.567 -11.467 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.857 -13.970 -10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.738 -14.032 -9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.675 -11.435 -13.165 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.624 -13.066 -11.463 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.634 -11.193 -8.760 1.00 0.00 N ATOM 1334 CA ALA A 83 -1.212 -11.181 -8.444 1.00 0.00 C ATOM 1335 C ALA A 83 -0.986 -11.452 -6.962 1.00 0.00 C ATOM 1336 O ALA A 83 -1.937 -11.659 -6.210 1.00 0.00 O ATOM 1337 CB ALA A 83 -0.600 -9.844 -8.841 1.00 0.00 C ATOM 0 H ALA A 83 -3.070 -10.271 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.724 -11.973 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.463 -9.845 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.730 -9.688 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.095 -9.041 -8.295 1.00 0.00 H new ATOM 1343 N TYR A 84 0.271 -11.459 -6.546 1.00 0.00 N ATOM 1344 CA TYR A 84 0.599 -11.719 -5.150 1.00 0.00 C ATOM 1345 C TYR A 84 0.790 -10.416 -4.371 1.00 0.00 C ATOM 1346 O TYR A 84 0.147 -10.226 -3.333 1.00 0.00 O ATOM 1347 CB TYR A 84 1.838 -12.606 -5.037 1.00 0.00 C ATOM 1348 CG TYR A 84 1.730 -13.876 -5.851 1.00 0.00 C ATOM 1349 CD1 TYR A 84 0.867 -14.895 -5.473 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.475 -14.047 -7.010 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.754 -16.051 -6.222 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.366 -15.197 -7.765 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.505 -16.195 -7.367 1.00 0.00 C ATOM 1354 OH TYR A 84 1.395 -17.345 -8.116 1.00 0.00 O ATOM 0 H TYR A 84 1.076 -11.289 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.242 -12.251 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.712 -12.044 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.999 -12.864 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.273 -14.783 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.151 -13.267 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.081 -16.836 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.953 -15.314 -8.664 1.00 0.00 H new ATOM 0 HH TYR A 84 1.991 -17.288 -8.892 1.00 0.00 H new ATOM 1364 N PRO A 85 1.698 -9.510 -4.818 1.00 0.00 N ATOM 1365 CA PRO A 85 1.827 -8.185 -4.246 1.00 0.00 C ATOM 1366 C PRO A 85 1.026 -7.139 -5.027 1.00 0.00 C ATOM 1367 O PRO A 85 1.316 -6.858 -6.195 1.00 0.00 O ATOM 1368 CB PRO A 85 3.330 -7.896 -4.356 1.00 0.00 C ATOM 1369 CG PRO A 85 3.885 -8.924 -5.299 1.00 0.00 C ATOM 1370 CD PRO A 85 2.713 -9.697 -5.854 1.00 0.00 C ATOM 0 HA PRO A 85 1.443 -8.140 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.506 -6.888 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.812 -7.962 -3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.446 -8.447 -6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.575 -9.590 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.387 -9.306 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.954 -10.750 -6.002 1.00 0.00 H new ATOM 1378 N THR A 86 0.022 -6.575 -4.384 1.00 0.00 N ATOM 1379 CA THR A 86 -0.818 -5.563 -5.000 1.00 0.00 C ATOM 1380 C THR A 86 -0.838 -4.294 -4.149 1.00 0.00 C ATOM 1381 O THR A 86 -1.238 -4.316 -2.984 1.00 0.00 O ATOM 1382 CB THR A 86 -2.254 -6.095 -5.182 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.257 -7.159 -6.145 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.205 -4.993 -5.627 1.00 0.00 C ATOM 0 H THR A 86 -0.235 -6.803 -3.424 1.00 0.00 H new ATOM 0 HA THR A 86 -0.403 -5.323 -5.979 1.00 0.00 H new ATOM 0 HB THR A 86 -2.601 -6.468 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.170 -7.496 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.208 -5.404 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.223 -4.203 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.866 -4.582 -6.578 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.388 -3.193 -4.728 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.371 -1.922 -4.021 1.00 0.00 C ATOM 1394 C LEU A 87 -1.565 -1.072 -4.440 1.00 0.00 C ATOM 1395 O LEU A 87 -1.727 -0.742 -5.618 1.00 0.00 O ATOM 1396 CB LEU A 87 0.939 -1.160 -4.272 1.00 0.00 C ATOM 1397 CG LEU A 87 2.202 -1.755 -3.629 1.00 0.00 C ATOM 1398 CD1 LEU A 87 1.973 -2.049 -2.154 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.655 -3.008 -4.361 1.00 0.00 C ATOM 0 H LEU A 87 -0.031 -3.153 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.438 -2.130 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.099 -1.098 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.817 -0.140 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 87 2.996 -1.013 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.881 -2.469 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.717 -1.126 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.156 -2.763 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.550 -3.405 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.863 -3.756 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.877 -2.762 -5.399 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.409 -0.739 -3.476 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.592 0.062 -3.740 1.00 0.00 C ATOM 1413 C LEU A 88 -3.455 1.445 -3.122 1.00 0.00 C ATOM 1414 O LEU A 88 -3.113 1.579 -1.945 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.843 -0.625 -3.193 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.183 -1.966 -3.839 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.395 -2.583 -3.169 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.436 -1.795 -5.328 1.00 0.00 C ATOM 0 H LEU A 88 -2.295 -1.013 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.690 0.167 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.715 -0.778 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.692 0.047 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.332 -2.634 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.625 -3.538 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.185 -2.742 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.248 -1.913 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.677 -2.762 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.270 -1.110 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.543 -1.391 -5.805 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.708 2.466 -3.922 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.653 3.840 -3.450 1.00 0.00 C ATOM 1432 C PHE A 89 -5.058 4.425 -3.469 1.00 0.00 C ATOM 1433 O PHE A 89 -5.602 4.724 -4.533 1.00 0.00 O ATOM 1434 CB PHE A 89 -2.709 4.657 -4.332 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.404 3.957 -4.594 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.442 3.856 -3.604 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.150 3.386 -5.832 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.751 3.200 -3.842 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.042 2.732 -6.077 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.993 2.638 -5.080 1.00 0.00 C ATOM 0 H PHE A 89 -3.955 2.369 -4.907 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.270 3.869 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.199 4.869 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.512 5.616 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.626 4.295 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.892 3.453 -6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.493 3.127 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.230 2.295 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.925 2.126 -5.268 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.641 4.577 -2.290 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.058 4.894 -2.176 1.00 0.00 C ATOM 1452 C ILE A 90 -7.284 6.246 -1.497 1.00 0.00 C ATOM 1453 O ILE A 90 -6.562 6.622 -0.569 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.794 3.779 -1.394 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.608 2.428 -2.098 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.272 4.099 -1.247 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.276 1.269 -1.389 1.00 0.00 C ATOM 0 H ILE A 90 -5.155 4.486 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.464 4.957 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.361 3.721 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.005 2.499 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.542 2.220 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.764 3.299 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.389 5.039 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.725 4.189 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.099 0.350 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.862 1.169 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.348 1.452 -1.322 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.286 6.971 -1.983 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.655 8.270 -1.426 1.00 0.00 C ATOM 1471 C ASN A 91 -9.650 8.108 -0.280 1.00 0.00 C ATOM 1472 O ASN A 91 -9.986 6.990 0.109 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.279 9.152 -2.508 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.343 9.450 -3.660 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.126 9.521 -3.491 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -8.913 9.642 -4.840 1.00 0.00 N ATOM 0 H ASN A 91 -8.864 6.677 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.748 8.740 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.173 8.662 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.600 10.092 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.339 9.858 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.926 9.573 -4.934 1.00 0.00 H new ATOM 1483 N SER A 92 -10.148 9.229 0.228 1.00 0.00 N ATOM 1484 CA SER A 92 -11.058 9.228 1.367 1.00 0.00 C ATOM 1485 C SER A 92 -12.441 8.690 0.997 1.00 0.00 C ATOM 1486 O SER A 92 -13.161 8.172 1.847 1.00 0.00 O ATOM 1487 CB SER A 92 -11.173 10.642 1.931 1.00 0.00 C ATOM 1488 OG SER A 92 -11.297 11.597 0.891 1.00 0.00 O ATOM 0 H SER A 92 -9.934 10.158 -0.135 1.00 0.00 H new ATOM 0 HA SER A 92 -10.646 8.561 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.038 10.704 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.294 10.869 2.535 1.00 0.00 H new ATOM 0 HG SER A 92 -11.371 12.494 1.278 1.00 0.00 H new ATOM 1494 N SER A 93 -12.818 8.825 -0.268 1.00 0.00 N ATOM 1495 CA SER A 93 -14.095 8.304 -0.742 1.00 0.00 C ATOM 1496 C SER A 93 -14.038 6.784 -0.907 1.00 0.00 C ATOM 1497 O SER A 93 -15.068 6.108 -0.944 1.00 0.00 O ATOM 1498 CB SER A 93 -14.474 8.970 -2.070 1.00 0.00 C ATOM 1499 OG SER A 93 -15.693 8.454 -2.583 1.00 0.00 O ATOM 0 H SER A 93 -12.259 9.290 -0.984 1.00 0.00 H new ATOM 0 HA SER A 93 -14.858 8.535 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.566 10.046 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.677 8.813 -2.797 1.00 0.00 H new ATOM 0 HG SER A 93 -15.516 7.625 -3.075 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.830 6.247 -0.984 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.668 4.831 -1.244 1.00 0.00 C ATOM 1507 C GLY A 94 -12.381 4.558 -2.705 1.00 0.00 C ATOM 1508 O GLY A 94 -12.472 3.422 -3.168 1.00 0.00 O ATOM 0 H GLY A 94 -11.959 6.766 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.853 4.440 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.572 4.301 -0.946 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.039 5.611 -3.434 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.712 5.483 -4.846 1.00 0.00 C ATOM 1514 C GLU A 95 -10.212 5.288 -5.005 1.00 0.00 C ATOM 1515 O GLU A 95 -9.425 5.927 -4.300 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.145 6.732 -5.621 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.473 7.325 -5.170 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.612 6.323 -5.162 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.995 5.837 -6.248 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.140 6.031 -4.070 1.00 0.00 O ATOM 0 H GLU A 95 -11.981 6.562 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.245 4.621 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.370 7.492 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.214 6.482 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.356 7.738 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.734 8.154 -5.828 1.00 0.00 H new ATOM 1527 N VAL A 96 -9.813 4.407 -5.908 1.00 0.00 N ATOM 1528 CA VAL A 96 -8.402 4.179 -6.168 1.00 0.00 C ATOM 1529 C VAL A 96 -7.909 5.123 -7.267 1.00 0.00 C ATOM 1530 O VAL A 96 -8.567 5.293 -8.293 1.00 0.00 O ATOM 1531 CB VAL A 96 -8.124 2.704 -6.557 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.777 2.341 -7.884 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -6.631 2.423 -6.598 1.00 0.00 C ATOM 0 H VAL A 96 -10.445 3.839 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.855 4.386 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.570 2.075 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.560 1.300 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.856 2.479 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.383 2.984 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.464 1.382 -6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.158 3.073 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.198 2.612 -5.616 1.00 0.00 H new ATOM 1543 N VAL A 97 -6.765 5.755 -7.039 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.211 6.687 -8.016 1.00 0.00 C ATOM 1545 C VAL A 97 -5.436 5.944 -9.097 1.00 0.00 C ATOM 1546 O VAL A 97 -5.377 6.382 -10.249 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.290 7.738 -7.356 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.084 8.631 -6.426 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -4.144 7.072 -6.607 1.00 0.00 C ATOM 0 H VAL A 97 -6.205 5.642 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.056 7.207 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.862 8.353 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.419 9.365 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.860 9.147 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.545 8.025 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.513 7.836 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.546 6.424 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.551 6.478 -7.303 1.00 0.00 H new ATOM 1559 N TYR A 98 -4.858 4.814 -8.717 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.066 4.003 -9.623 1.00 0.00 C ATOM 1561 C TYR A 98 -3.816 2.637 -8.995 1.00 0.00 C ATOM 1562 O TYR A 98 -3.656 2.528 -7.779 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.738 4.700 -9.944 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.917 3.999 -11.005 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.283 4.063 -12.343 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.780 3.277 -10.670 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.539 3.427 -13.317 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.030 2.639 -11.640 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.415 2.718 -12.960 1.00 0.00 C ATOM 1570 OH TYR A 98 0.328 2.079 -13.927 1.00 0.00 O ATOM 0 H TYR A 98 -4.926 4.436 -7.772 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.613 3.871 -10.557 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.944 5.719 -10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.147 4.773 -9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.164 4.619 -12.627 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.477 3.213 -9.635 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.838 3.486 -14.353 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.853 2.082 -11.364 1.00 0.00 H new ATOM 0 HH TYR A 98 0.255 2.569 -14.773 1.00 0.00 H new ATOM 1580 N ARG A 99 -3.807 1.602 -9.818 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.616 0.242 -9.334 1.00 0.00 C ATOM 1582 C ARG A 99 -2.222 -0.268 -9.681 1.00 0.00 C ATOM 1583 O ARG A 99 -1.841 -0.310 -10.852 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.685 -0.677 -9.926 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.073 -0.430 -9.358 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.135 -1.189 -10.134 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.242 -0.710 -11.512 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.643 -1.463 -12.538 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -8.001 -2.726 -12.339 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.687 -0.952 -13.763 1.00 0.00 N ATOM 0 H ARG A 99 -3.930 1.676 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.712 0.244 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.713 -0.541 -11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.404 -1.714 -9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.098 -0.734 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.294 0.637 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.895 -2.252 -10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.098 -1.081 -9.635 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.994 0.261 -11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.970 -3.123 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.307 -3.299 -13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.414 0.018 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.994 -1.530 -14.546 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.469 -0.643 -8.658 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.120 -1.159 -8.843 1.00 0.00 C ATOM 1606 C LEU A 100 -0.139 -2.684 -8.838 1.00 0.00 C ATOM 1607 O LEU A 100 -0.767 -3.301 -7.970 1.00 0.00 O ATOM 1608 CB LEU A 100 0.802 -0.649 -7.731 1.00 0.00 C ATOM 1609 CG LEU A 100 2.069 0.078 -8.198 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.923 -0.821 -9.077 1.00 0.00 C ATOM 1611 CD2 LEU A 100 1.711 1.357 -8.938 1.00 0.00 C ATOM 0 H LEU A 100 -1.771 -0.599 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 100 0.258 -0.808 -9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.232 0.027 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.099 -1.497 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 100 2.650 0.339 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.815 -0.280 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.217 -1.707 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.351 -1.122 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.624 1.858 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.102 1.115 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.150 2.016 -8.275 1.00 0.00 H new ATOM 1623 N VAL A 101 0.525 -3.283 -9.813 1.00 0.00 N ATOM 1624 CA VAL A 101 0.626 -4.733 -9.901 1.00 0.00 C ATOM 1625 C VAL A 101 2.086 -5.152 -9.795 1.00 0.00 C ATOM 1626 O VAL A 101 2.900 -4.824 -10.662 1.00 0.00 O ATOM 1627 CB VAL A 101 0.041 -5.270 -11.230 1.00 0.00 C ATOM 1628 CG1 VAL A 101 0.034 -6.792 -11.239 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.363 -4.724 -11.475 1.00 0.00 C ATOM 0 H VAL A 101 1.006 -2.784 -10.561 1.00 0.00 H new ATOM 0 HA VAL A 101 0.048 -5.155 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 101 0.682 -4.924 -12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.381 -7.148 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.054 -7.161 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.576 -7.158 -10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.748 -5.118 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.019 -5.027 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.326 -3.636 -11.526 1.00 0.00 H new ATOM 1639 N GLY A 102 2.418 -5.862 -8.730 1.00 0.00 N ATOM 1640 CA GLY A 102 3.790 -6.244 -8.503 1.00 0.00 C ATOM 1641 C GLY A 102 4.552 -5.150 -7.797 1.00 0.00 C ATOM 1642 O GLY A 102 3.949 -4.288 -7.155 1.00 0.00 O ATOM 0 H GLY A 102 1.760 -6.180 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.822 -7.156 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.270 -6.469 -9.456 1.00 0.00 H new ATOM 1646 N ALA A 103 5.869 -5.167 -7.921 1.00 0.00 N ATOM 1647 CA ALA A 103 6.701 -4.181 -7.252 1.00 0.00 C ATOM 1648 C ALA A 103 8.064 -4.060 -7.917 1.00 0.00 C ATOM 1649 O ALA A 103 8.617 -5.043 -8.417 1.00 0.00 O ATOM 1650 CB ALA A 103 6.868 -4.546 -5.787 1.00 0.00 C ATOM 0 H ALA A 103 6.383 -5.850 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 103 6.202 -3.215 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.493 -3.801 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.891 -4.575 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.340 -5.525 -5.708 1.00 0.00 H new ATOM 1656 N GLU A 104 8.590 -2.847 -7.932 1.00 0.00 N ATOM 1657 CA GLU A 104 9.921 -2.587 -8.450 1.00 0.00 C ATOM 1658 C GLU A 104 10.817 -2.075 -7.327 1.00 0.00 C ATOM 1659 O GLU A 104 10.399 -2.034 -6.167 1.00 0.00 O ATOM 1660 CB GLU A 104 9.861 -1.577 -9.600 1.00 0.00 C ATOM 1661 CG GLU A 104 9.086 -2.075 -10.810 1.00 0.00 C ATOM 1662 CD GLU A 104 9.090 -1.090 -11.962 1.00 0.00 C ATOM 1663 OE1 GLU A 104 10.136 -0.956 -12.630 1.00 0.00 O ATOM 1664 OE2 GLU A 104 8.039 -0.473 -12.227 1.00 0.00 O ATOM 0 H GLU A 104 8.108 -2.017 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 104 10.340 -3.515 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.403 -0.656 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.877 -1.328 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.514 -3.020 -11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.056 -2.278 -10.517 1.00 0.00 H new ATOM 1671 N ASP A 105 12.043 -1.699 -7.667 1.00 0.00 N ATOM 1672 CA ASP A 105 12.997 -1.206 -6.675 1.00 0.00 C ATOM 1673 C ASP A 105 12.527 0.117 -6.082 1.00 0.00 C ATOM 1674 O ASP A 105 11.603 0.734 -6.604 1.00 0.00 O ATOM 1675 CB ASP A 105 14.385 -1.046 -7.299 1.00 0.00 C ATOM 1676 CG ASP A 105 14.975 -2.372 -7.739 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.246 -3.227 -6.869 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.155 -2.578 -8.956 1.00 0.00 O ATOM 0 H ASP A 105 12.403 -1.725 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 105 13.059 -1.939 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.320 -0.377 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 105 15.053 -0.575 -6.578 1.00 0.00 H new ATOM 1683 N ALA A 106 13.184 0.560 -5.012 1.00 0.00 N ATOM 1684 CA ALA A 106 12.738 1.735 -4.251 1.00 0.00 C ATOM 1685 C ALA A 106 12.443 2.961 -5.134 1.00 0.00 C ATOM 1686 O ALA A 106 11.357 3.540 -5.027 1.00 0.00 O ATOM 1687 CB ALA A 106 13.743 2.085 -3.157 1.00 0.00 C ATOM 0 H ALA A 106 14.031 0.124 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 106 11.790 1.457 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.392 2.958 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.845 1.242 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.710 2.305 -3.609 1.00 0.00 H new ATOM 1693 N PRO A 107 13.379 3.390 -6.016 1.00 0.00 N ATOM 1694 CA PRO A 107 13.150 4.547 -6.893 1.00 0.00 C ATOM 1695 C PRO A 107 11.993 4.319 -7.863 1.00 0.00 C ATOM 1696 O PRO A 107 11.212 5.231 -8.132 1.00 0.00 O ATOM 1697 CB PRO A 107 14.469 4.695 -7.662 1.00 0.00 C ATOM 1698 CG PRO A 107 15.471 3.947 -6.857 1.00 0.00 C ATOM 1699 CD PRO A 107 14.719 2.813 -6.233 1.00 0.00 C ATOM 0 HA PRO A 107 12.877 5.435 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.387 4.286 -8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.750 5.743 -7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.284 3.581 -7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.919 4.586 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.683 1.942 -6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.177 2.490 -5.298 1.00 0.00 H new ATOM 1707 N GLU A 108 11.890 3.100 -8.381 1.00 0.00 N ATOM 1708 CA GLU A 108 10.838 2.751 -9.331 1.00 0.00 C ATOM 1709 C GLU A 108 9.487 2.602 -8.631 1.00 0.00 C ATOM 1710 O GLU A 108 8.439 2.882 -9.217 1.00 0.00 O ATOM 1711 CB GLU A 108 11.198 1.462 -10.071 1.00 0.00 C ATOM 1712 CG GLU A 108 12.209 1.645 -11.196 1.00 0.00 C ATOM 1713 CD GLU A 108 13.508 2.267 -10.736 1.00 0.00 C ATOM 1714 OE1 GLU A 108 14.360 1.542 -10.186 1.00 0.00 O ATOM 1715 OE2 GLU A 108 13.685 3.489 -10.927 1.00 0.00 O ATOM 0 H GLU A 108 12.525 2.333 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 108 10.754 3.562 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.596 0.745 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.287 1.028 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.418 0.676 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.769 2.271 -11.972 1.00 0.00 H new ATOM 1722 N LEU A 109 9.523 2.159 -7.379 1.00 0.00 N ATOM 1723 CA LEU A 109 8.323 2.030 -6.560 1.00 0.00 C ATOM 1724 C LEU A 109 7.668 3.392 -6.393 1.00 0.00 C ATOM 1725 O LEU A 109 6.472 3.564 -6.654 1.00 0.00 O ATOM 1726 CB LEU A 109 8.688 1.469 -5.184 1.00 0.00 C ATOM 1727 CG LEU A 109 7.503 1.106 -4.284 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.778 -0.126 -4.809 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.973 0.881 -2.856 1.00 0.00 C ATOM 0 H LEU A 109 10.382 1.880 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 109 7.629 1.350 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.301 0.579 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.305 2.202 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 109 6.801 1.939 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.941 -0.363 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.406 0.072 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.468 -0.970 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.120 0.624 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.697 0.067 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.440 1.791 -2.479 1.00 0.00 H new ATOM 1741 N LEU A 110 8.469 4.354 -5.957 1.00 0.00 N ATOM 1742 CA LEU A 110 8.011 5.727 -5.798 1.00 0.00 C ATOM 1743 C LEU A 110 7.622 6.312 -7.153 1.00 0.00 C ATOM 1744 O LEU A 110 6.656 7.064 -7.264 1.00 0.00 O ATOM 1745 CB LEU A 110 9.104 6.580 -5.143 1.00 0.00 C ATOM 1746 CG LEU A 110 8.726 8.041 -4.873 1.00 0.00 C ATOM 1747 CD1 LEU A 110 7.568 8.129 -3.887 1.00 0.00 C ATOM 1748 CD2 LEU A 110 9.926 8.818 -4.355 1.00 0.00 C ATOM 0 H LEU A 110 9.446 4.207 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 110 7.134 5.731 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.386 6.115 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.986 6.563 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 110 8.406 8.487 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.318 9.175 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.700 7.613 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.856 7.662 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.637 9.853 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.278 8.368 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.724 8.792 -5.097 1.00 0.00 H new ATOM 1760 N LYS A 111 8.372 5.942 -8.183 1.00 0.00 N ATOM 1761 CA LYS A 111 8.112 6.402 -9.541 1.00 0.00 C ATOM 1762 C LYS A 111 6.711 6.001 -10.001 1.00 0.00 C ATOM 1763 O LYS A 111 5.962 6.827 -10.518 1.00 0.00 O ATOM 1764 CB LYS A 111 9.171 5.825 -10.484 1.00 0.00 C ATOM 1765 CG LYS A 111 8.937 6.121 -11.955 1.00 0.00 C ATOM 1766 CD LYS A 111 10.033 5.500 -12.809 1.00 0.00 C ATOM 1767 CE LYS A 111 9.735 5.622 -14.291 1.00 0.00 C ATOM 1768 NZ LYS A 111 10.821 5.036 -15.122 1.00 0.00 N ATOM 0 H LYS A 111 9.174 5.317 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 111 8.165 7.491 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.146 6.219 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.211 4.744 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.966 5.730 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.911 7.199 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 111 10.983 5.986 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.145 4.448 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 111 8.794 5.120 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.605 6.673 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.581 5.138 -16.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.714 5.532 -14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.928 4.027 -14.892 1.00 0.00 H new ATOM 1782 N LYS A 112 6.358 4.736 -9.794 1.00 0.00 N ATOM 1783 CA LYS A 112 5.058 4.221 -10.217 1.00 0.00 C ATOM 1784 C LYS A 112 3.909 4.941 -9.519 1.00 0.00 C ATOM 1785 O LYS A 112 2.966 5.382 -10.172 1.00 0.00 O ATOM 1786 CB LYS A 112 4.953 2.715 -9.962 1.00 0.00 C ATOM 1787 CG LYS A 112 5.759 1.866 -10.932 1.00 0.00 C ATOM 1788 CD LYS A 112 5.190 1.932 -12.345 1.00 0.00 C ATOM 1789 CE LYS A 112 3.851 1.211 -12.452 1.00 0.00 C ATOM 1790 NZ LYS A 112 3.275 1.295 -13.823 1.00 0.00 N ATOM 0 H LYS A 112 6.954 4.047 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 112 4.978 4.407 -11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.288 2.505 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.906 2.419 -10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.794 2.206 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.766 0.831 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.066 2.974 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.899 1.487 -13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.981 0.164 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.150 1.643 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.281 1.596 -13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.813 1.986 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.328 0.362 -14.280 1.00 0.00 H new ATOM 1804 N VAL A 113 3.987 5.064 -8.197 1.00 0.00 N ATOM 1805 CA VAL A 113 2.911 5.700 -7.438 1.00 0.00 C ATOM 1806 C VAL A 113 2.835 7.196 -7.739 1.00 0.00 C ATOM 1807 O VAL A 113 1.749 7.736 -7.960 1.00 0.00 O ATOM 1808 CB VAL A 113 3.054 5.469 -5.909 1.00 0.00 C ATOM 1809 CG1 VAL A 113 4.413 5.917 -5.395 1.00 0.00 C ATOM 1810 CG2 VAL A 113 1.945 6.187 -5.151 1.00 0.00 C ATOM 0 H VAL A 113 4.772 4.737 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 113 1.982 5.228 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 113 2.968 4.397 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.473 5.739 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.197 5.354 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.545 6.981 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.063 6.013 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.000 7.257 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.977 5.806 -5.476 1.00 0.00 H new ATOM 1820 N LYS A 114 3.990 7.850 -7.786 1.00 0.00 N ATOM 1821 CA LYS A 114 4.049 9.286 -8.018 1.00 0.00 C ATOM 1822 C LYS A 114 3.509 9.630 -9.399 1.00 0.00 C ATOM 1823 O LYS A 114 2.798 10.615 -9.564 1.00 0.00 O ATOM 1824 CB LYS A 114 5.485 9.793 -7.883 1.00 0.00 C ATOM 1825 CG LYS A 114 5.612 11.298 -7.936 1.00 0.00 C ATOM 1826 CD LYS A 114 7.066 11.706 -7.900 1.00 0.00 C ATOM 1827 CE LYS A 114 7.218 13.204 -7.774 1.00 0.00 C ATOM 1828 NZ LYS A 114 6.635 13.938 -8.931 1.00 0.00 N ATOM 0 H LYS A 114 4.900 7.406 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 114 3.429 9.775 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.898 9.437 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.089 9.359 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.144 11.677 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.082 11.744 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.561 11.217 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.564 11.364 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.735 13.538 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.276 13.452 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.840 14.953 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.052 13.581 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.605 13.793 -8.951 1.00 0.00 H new ATOM 1842 N LEU A 115 3.837 8.805 -10.385 1.00 0.00 N ATOM 1843 CA LEU A 115 3.399 9.046 -11.754 1.00 0.00 C ATOM 1844 C LEU A 115 1.934 8.644 -11.920 1.00 0.00 C ATOM 1845 O LEU A 115 1.202 9.248 -12.701 1.00 0.00 O ATOM 1846 CB LEU A 115 4.300 8.274 -12.732 1.00 0.00 C ATOM 1847 CG LEU A 115 4.327 8.780 -14.185 1.00 0.00 C ATOM 1848 CD1 LEU A 115 3.098 8.331 -14.957 1.00 0.00 C ATOM 1849 CD2 LEU A 115 4.444 10.297 -14.217 1.00 0.00 C ATOM 0 H LEU A 115 4.403 7.965 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 115 3.481 10.110 -11.977 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.319 8.293 -12.345 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.981 7.232 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 115 5.202 8.345 -14.669 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.152 8.707 -15.979 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.056 7.242 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.202 8.721 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.462 10.639 -15.252 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.590 10.739 -13.704 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.364 10.602 -13.718 1.00 0.00 H new ATOM 1861 N GLY A 116 1.508 7.638 -11.162 1.00 0.00 N ATOM 1862 CA GLY A 116 0.149 7.138 -11.272 1.00 0.00 C ATOM 1863 C GLY A 116 -0.899 8.157 -10.859 1.00 0.00 C ATOM 1864 O GLY A 116 -1.965 8.237 -11.470 1.00 0.00 O ATOM 0 H GLY A 116 2.083 7.158 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.037 6.833 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.045 6.248 -10.652 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.596 8.932 -9.824 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.525 9.942 -9.324 1.00 0.00 C ATOM 1870 C VAL A 117 -1.037 11.342 -9.699 1.00 0.00 C ATOM 1871 O VAL A 117 -1.774 12.324 -9.602 1.00 0.00 O ATOM 1872 CB VAL A 117 -1.687 9.829 -7.788 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.387 10.166 -7.072 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -2.819 10.712 -7.289 1.00 0.00 C ATOM 0 H VAL A 117 0.286 8.881 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.497 9.769 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.940 8.794 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.531 10.078 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.394 9.475 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.091 11.186 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.909 10.612 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.608 11.751 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.753 10.407 -7.760 1.00 0.00 H new ATOM 1884 N GLU A 118 0.210 11.400 -10.152 1.00 0.00 N ATOM 1885 CA GLU A 118 0.881 12.648 -10.496 1.00 0.00 C ATOM 1886 C GLU A 118 1.002 13.565 -9.278 1.00 0.00 C ATOM 1887 O GLU A 118 0.490 14.689 -9.265 1.00 0.00 O ATOM 1888 CB GLU A 118 0.192 13.354 -11.665 1.00 0.00 C ATOM 1889 CG GLU A 118 0.976 14.547 -12.189 1.00 0.00 C ATOM 1890 CD GLU A 118 2.471 14.290 -12.237 1.00 0.00 C ATOM 1891 OE1 GLU A 118 2.963 13.794 -13.268 1.00 0.00 O ATOM 1892 OE2 GLU A 118 3.165 14.582 -11.238 1.00 0.00 O ATOM 0 H GLU A 118 0.790 10.573 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 118 1.891 12.399 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.043 12.641 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.796 13.687 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.622 14.798 -13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.780 15.412 -11.555 1.00 0.00 H new