USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -169:sc= 0.875 USER MOD Set 1.2: A 94 SER OG : rot 69:sc= 0.761 USER MOD Set 2.1: A 41 TYR OH : rot -24:sc= 1.32 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.47 K(o=2.8,f=-7.3!) USER MOD Set 3.1: A 34 SER OG : rot -134:sc= 1.45 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.509 USER MOD Set 3.3: A 86 GLN : amide:sc= 0.376 K(o=2.3,f=1.4) USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.135 USER MOD Single : A 10 THR OG1 : rot -150:sc= 0.084 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.0041) USER MOD Single : A 43 SER OG : rot -130:sc= -0.466 USER MOD Single : A 45 SER OG : rot 82:sc= 1.38 USER MOD Single : A 46 SER OG : rot -164:sc= 0.214 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 60 SER OG : rot -38:sc= 0.0124 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 170:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 81 ASN : amide:sc= 1.08 K(o=1.1,f=-0.16) USER MOD Single : A 84 GLN : amide:sc= 0.988 K(o=0.99,f=-0.3) USER MOD Single : A 85 SER OG : rot -79:sc= 1.4 USER MOD Single : A 87 MET CE :methyl 167:sc= 0 (180deg=-0.164) USER MOD Single : A 89 SER OG : rot 51:sc= 0.149 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -149:sc= 0.949 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -12.465 -7.349 -3.591 1.00 0.00 N ATOM 27 CA PRO A 3 -11.147 -6.725 -3.609 1.00 0.00 C ATOM 28 C PRO A 3 -10.653 -6.401 -5.023 1.00 0.00 C ATOM 29 O PRO A 3 -11.304 -6.697 -6.034 1.00 0.00 O ATOM 30 CB PRO A 3 -10.227 -7.714 -2.875 1.00 0.00 C ATOM 31 CG PRO A 3 -10.891 -9.062 -3.124 1.00 0.00 C ATOM 32 CD PRO A 3 -12.369 -8.700 -3.057 1.00 0.00 C ATOM 0 HA PRO A 3 -11.166 -5.752 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.211 -7.687 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.162 -7.488 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.616 -9.480 -4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.616 -9.799 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.970 -9.396 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.737 -8.744 -2.032 1.00 0.00 H new ATOM 40 N ILE A 4 -9.452 -5.833 -5.105 1.00 0.00 N ATOM 41 CA ILE A 4 -8.778 -5.524 -6.347 1.00 0.00 C ATOM 42 C ILE A 4 -7.648 -6.545 -6.405 1.00 0.00 C ATOM 43 O ILE A 4 -6.731 -6.550 -5.580 1.00 0.00 O ATOM 44 CB ILE A 4 -8.283 -4.057 -6.419 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.307 -2.966 -6.021 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.871 -3.766 -7.874 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.542 -2.818 -4.514 1.00 0.00 C ATOM 0 H ILE A 4 -8.912 -5.571 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.441 -5.594 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.474 -3.997 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.968 -2.009 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.259 -3.190 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.518 -2.738 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.073 -4.448 -8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.730 -3.906 -8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.274 -2.030 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.916 -3.759 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.604 -2.559 -4.023 1.00 0.00 H new ATOM 59 N ALA A 5 -7.751 -7.440 -7.382 1.00 0.00 N ATOM 60 CA ALA A 5 -6.837 -8.548 -7.551 1.00 0.00 C ATOM 61 C ALA A 5 -5.650 -7.980 -8.313 1.00 0.00 C ATOM 62 O ALA A 5 -5.733 -7.822 -9.535 1.00 0.00 O ATOM 63 CB ALA A 5 -7.542 -9.658 -8.342 1.00 0.00 C ATOM 0 H ALA A 5 -8.487 -7.409 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.511 -8.985 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.861 -10.499 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.425 -9.989 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.841 -9.276 -9.318 1.00 0.00 H new ATOM 69 N ILE A 6 -4.575 -7.612 -7.621 1.00 0.00 N ATOM 70 CA ILE A 6 -3.446 -6.950 -8.253 1.00 0.00 C ATOM 71 C ILE A 6 -2.375 -8.001 -8.529 1.00 0.00 C ATOM 72 O ILE A 6 -2.476 -9.147 -8.086 1.00 0.00 O ATOM 73 CB ILE A 6 -3.009 -5.691 -7.460 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.665 -5.834 -5.964 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.130 -4.649 -7.563 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.273 -6.406 -5.705 1.00 0.00 C ATOM 0 H ILE A 6 -4.466 -7.764 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.708 -6.528 -9.223 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.063 -5.421 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.740 -4.856 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.406 -6.477 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.845 -3.753 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.295 -4.394 -8.610 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.047 -5.059 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.103 -6.477 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.199 -7.398 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.522 -5.752 -6.149 1.00 0.00 H new ATOM 88 N THR A 7 -1.374 -7.625 -9.321 1.00 0.00 N ATOM 89 CA THR A 7 -0.342 -8.536 -9.804 1.00 0.00 C ATOM 90 C THR A 7 1.038 -8.151 -9.267 1.00 0.00 C ATOM 91 O THR A 7 2.046 -8.368 -9.936 1.00 0.00 O ATOM 92 CB THR A 7 -0.473 -8.641 -11.335 1.00 0.00 C ATOM 93 OG1 THR A 7 0.275 -9.737 -11.823 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.094 -7.352 -12.075 1.00 0.00 C ATOM 0 H THR A 7 -1.256 -6.666 -9.649 1.00 0.00 H new ATOM 0 HA THR A 7 -0.479 -9.545 -9.414 1.00 0.00 H new ATOM 0 HB THR A 7 -1.531 -8.805 -11.539 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.173 -9.720 -11.431 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.211 -7.501 -13.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.744 -6.540 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.943 -7.097 -11.855 1.00 0.00 H new ATOM 102 N CYS A 8 1.086 -7.532 -8.083 1.00 0.00 N ATOM 103 CA CYS A 8 2.303 -7.195 -7.341 1.00 0.00 C ATOM 104 C CYS A 8 3.317 -6.298 -8.085 1.00 0.00 C ATOM 105 O CYS A 8 4.426 -6.076 -7.608 1.00 0.00 O ATOM 106 CB CYS A 8 2.921 -8.524 -6.905 1.00 0.00 C ATOM 107 SG CYS A 8 1.900 -9.577 -5.848 1.00 0.00 S ATOM 0 H CYS A 8 0.239 -7.240 -7.595 1.00 0.00 H new ATOM 0 HA CYS A 8 2.026 -6.569 -6.493 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.182 -9.089 -7.800 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.852 -8.312 -6.379 1.00 0.00 H new ATOM 112 N PHE A 9 2.906 -5.690 -9.194 1.00 0.00 N ATOM 113 CA PHE A 9 3.640 -4.705 -9.994 1.00 0.00 C ATOM 114 C PHE A 9 2.894 -3.362 -9.983 1.00 0.00 C ATOM 115 O PHE A 9 3.441 -2.304 -10.307 1.00 0.00 O ATOM 116 CB PHE A 9 3.758 -5.280 -11.411 1.00 0.00 C ATOM 117 CG PHE A 9 4.251 -4.325 -12.477 1.00 0.00 C ATOM 118 CD1 PHE A 9 3.322 -3.529 -13.175 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.616 -4.251 -12.804 1.00 0.00 C ATOM 120 CE1 PHE A 9 3.749 -2.678 -14.205 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.043 -3.410 -13.845 1.00 0.00 C ATOM 122 CZ PHE A 9 5.110 -2.620 -14.540 1.00 0.00 C ATOM 0 H PHE A 9 1.986 -5.884 -9.588 1.00 0.00 H new ATOM 0 HA PHE A 9 4.634 -4.516 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.432 -6.136 -11.379 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.780 -5.655 -11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.275 -3.574 -12.916 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.336 -4.840 -12.255 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.033 -2.070 -14.738 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.089 -3.370 -14.112 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.442 -1.967 -15.334 1.00 0.00 H new ATOM 132 N THR A 10 1.621 -3.417 -9.608 1.00 0.00 N ATOM 133 CA THR A 10 0.691 -2.328 -9.425 1.00 0.00 C ATOM 134 C THR A 10 1.266 -1.374 -8.364 1.00 0.00 C ATOM 135 O THR A 10 1.822 -1.813 -7.352 1.00 0.00 O ATOM 136 CB THR A 10 -0.641 -2.996 -9.028 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.847 -4.191 -9.787 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.848 -2.083 -9.220 1.00 0.00 C ATOM 0 H THR A 10 1.180 -4.315 -9.407 1.00 0.00 H new ATOM 0 HA THR A 10 0.524 -1.715 -10.311 1.00 0.00 H new ATOM 0 HB THR A 10 -0.558 -3.224 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.808 -4.341 -9.906 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.754 -2.611 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.730 -1.190 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.923 -1.795 -10.268 1.00 0.00 H new ATOM 146 N ARG A 11 1.203 -0.070 -8.625 1.00 0.00 N ATOM 147 CA ARG A 11 1.708 0.988 -7.760 1.00 0.00 C ATOM 148 C ARG A 11 0.559 1.711 -7.086 1.00 0.00 C ATOM 149 O ARG A 11 -0.608 1.530 -7.437 1.00 0.00 O ATOM 150 CB ARG A 11 2.512 1.988 -8.608 1.00 0.00 C ATOM 151 CG ARG A 11 3.755 1.327 -9.199 1.00 0.00 C ATOM 152 CD ARG A 11 4.656 2.336 -9.903 1.00 0.00 C ATOM 153 NE ARG A 11 4.191 2.593 -11.267 1.00 0.00 N ATOM 154 CZ ARG A 11 4.881 3.225 -12.220 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.059 3.776 -11.946 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.366 3.313 -13.441 1.00 0.00 N ATOM 0 H ARG A 11 0.781 0.291 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 11 2.346 0.549 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.885 2.376 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.805 2.839 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.315 0.832 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.454 0.554 -9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.673 3.269 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.679 1.960 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 11 3.258 2.260 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.442 3.718 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.580 4.257 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.455 2.901 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.882 3.793 -14.179 1.00 0.00 H new ATOM 170 N GLY A 12 0.902 2.600 -6.161 1.00 0.00 N ATOM 171 CA GLY A 12 -0.059 3.476 -5.526 1.00 0.00 C ATOM 172 C GLY A 12 -0.598 4.486 -6.545 1.00 0.00 C ATOM 173 O GLY A 12 -1.477 5.253 -6.198 1.00 0.00 O ATOM 0 H GLY A 12 1.859 2.729 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.880 2.890 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.409 4.001 -4.693 1.00 0.00 H new ATOM 177 N LEU A 13 -0.102 4.505 -7.792 1.00 0.00 N ATOM 178 CA LEU A 13 -0.635 5.333 -8.865 1.00 0.00 C ATOM 179 C LEU A 13 -2.015 4.801 -9.237 1.00 0.00 C ATOM 180 O LEU A 13 -2.920 5.568 -9.564 1.00 0.00 O ATOM 181 CB LEU A 13 0.214 5.203 -10.150 1.00 0.00 C ATOM 182 CG LEU A 13 1.690 5.630 -10.120 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.279 5.460 -11.523 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.857 7.087 -9.700 1.00 0.00 C ATOM 0 H LEU A 13 0.693 3.934 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.646 6.366 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.181 4.159 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.280 5.783 -10.929 1.00 0.00 H new ATOM 0 HG LEU A 13 2.205 5.005 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.327 5.760 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.202 4.416 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.728 6.083 -12.227 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.916 7.345 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.332 7.731 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.443 7.228 -8.702 1.00 0.00 H new ATOM 196 N ASP A 14 -2.139 3.476 -9.248 1.00 0.00 N ATOM 197 CA ASP A 14 -3.305 2.745 -9.696 1.00 0.00 C ATOM 198 C ASP A 14 -4.426 2.856 -8.669 1.00 0.00 C ATOM 199 O ASP A 14 -5.509 3.362 -8.967 1.00 0.00 O ATOM 200 CB ASP A 14 -2.919 1.271 -9.925 1.00 0.00 C ATOM 201 CG ASP A 14 -1.803 1.092 -10.957 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.069 1.210 -12.175 1.00 0.00 O ATOM 203 OD2 ASP A 14 -0.638 0.830 -10.584 1.00 0.00 O ATOM 0 H ASP A 14 -1.390 2.861 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.665 3.170 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.602 0.834 -8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.800 0.718 -10.253 1.00 0.00 H new ATOM 208 N ILE A 15 -4.162 2.433 -7.433 1.00 0.00 N ATOM 209 CA ILE A 15 -5.165 2.342 -6.381 1.00 0.00 C ATOM 210 C ILE A 15 -5.049 3.513 -5.409 1.00 0.00 C ATOM 211 O ILE A 15 -4.239 3.478 -4.484 1.00 0.00 O ATOM 212 CB ILE A 15 -5.079 0.944 -5.723 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.386 -0.131 -6.794 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.060 0.805 -4.545 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.344 -1.570 -6.287 1.00 0.00 C ATOM 0 H ILE A 15 -3.232 2.141 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.169 2.432 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.073 0.810 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.374 0.064 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.670 -0.027 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.968 -0.191 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.828 1.554 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.080 0.953 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.572 -2.251 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.350 -1.790 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.081 -1.698 -5.494 1.00 0.00 H new ATOM 227 N ARG A 16 -5.896 4.534 -5.591 1.00 0.00 N ATOM 228 CA ARG A 16 -6.014 5.671 -4.673 1.00 0.00 C ATOM 229 C ARG A 16 -7.470 5.924 -4.309 1.00 0.00 C ATOM 230 O ARG A 16 -7.914 7.073 -4.257 1.00 0.00 O ATOM 231 CB ARG A 16 -5.320 6.938 -5.191 1.00 0.00 C ATOM 232 CG ARG A 16 -3.856 6.675 -5.528 1.00 0.00 C ATOM 233 CD ARG A 16 -3.012 7.944 -5.623 1.00 0.00 C ATOM 234 NE ARG A 16 -3.519 8.878 -6.636 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.294 9.948 -6.431 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.722 10.276 -5.214 1.00 0.00 N ATOM 237 NH2 ARG A 16 -4.609 10.699 -7.473 1.00 0.00 N ATOM 0 H ARG A 16 -6.526 4.593 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.481 5.399 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.839 7.302 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.386 7.724 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.429 6.021 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.801 6.140 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.995 8.439 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.983 7.676 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.251 8.690 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.460 9.706 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.312 11.098 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.262 10.455 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.199 11.522 -7.349 1.00 0.00 H new ATOM 251 N LYS A 17 -8.243 4.856 -4.100 1.00 0.00 N ATOM 252 CA LYS A 17 -9.605 5.027 -3.606 1.00 0.00 C ATOM 253 C LYS A 17 -9.447 5.414 -2.135 1.00 0.00 C ATOM 254 O LYS A 17 -8.350 5.301 -1.576 1.00 0.00 O ATOM 255 CB LYS A 17 -10.398 3.718 -3.735 1.00 0.00 C ATOM 256 CG LYS A 17 -10.803 3.408 -5.188 1.00 0.00 C ATOM 257 CD LYS A 17 -10.267 2.059 -5.677 1.00 0.00 C ATOM 258 CE LYS A 17 -10.793 0.866 -4.867 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.225 0.588 -5.101 1.00 0.00 N ATOM 0 H LYS A 17 -7.957 3.890 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.152 5.780 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.798 2.895 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.294 3.779 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.890 3.412 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.433 4.199 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.539 1.926 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.178 2.070 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.212 -0.021 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.636 1.058 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.519 -0.227 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.788 1.421 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.377 0.375 -6.107 1.00 0.00 H new ATOM 273 N GLU A 18 -10.527 5.844 -1.490 1.00 0.00 N ATOM 274 CA GLU A 18 -10.468 6.253 -0.092 1.00 0.00 C ATOM 275 C GLU A 18 -9.916 5.098 0.761 1.00 0.00 C ATOM 276 O GLU A 18 -9.227 5.319 1.756 1.00 0.00 O ATOM 277 CB GLU A 18 -11.815 6.829 0.352 1.00 0.00 C ATOM 278 CG GLU A 18 -11.613 7.718 1.585 1.00 0.00 C ATOM 279 CD GLU A 18 -12.712 8.761 1.782 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.158 9.400 0.802 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.074 9.008 2.956 1.00 0.00 O ATOM 0 H GLU A 18 -11.452 5.918 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.765 7.073 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.259 7.408 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.509 6.021 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.562 7.086 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.653 8.227 1.500 1.00 0.00 H new ATOM 288 N LYS A 19 -10.222 3.856 0.386 1.00 0.00 N ATOM 289 CA LYS A 19 -9.696 2.620 0.955 1.00 0.00 C ATOM 290 C LYS A 19 -9.868 1.516 -0.084 1.00 0.00 C ATOM 291 O LYS A 19 -10.741 1.626 -0.953 1.00 0.00 O ATOM 292 CB LYS A 19 -10.253 2.305 2.353 1.00 0.00 C ATOM 293 CG LYS A 19 -11.738 2.629 2.567 1.00 0.00 C ATOM 294 CD LYS A 19 -12.197 2.122 3.943 1.00 0.00 C ATOM 295 CE LYS A 19 -13.315 2.984 4.537 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.794 4.209 5.184 1.00 0.00 N ATOM 0 H LYS A 19 -10.884 3.678 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.631 2.724 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.099 1.245 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.670 2.858 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.897 3.705 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.336 2.166 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.545 1.093 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.347 2.112 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.015 3.261 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.873 2.399 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.586 4.761 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.146 3.946 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.284 4.782 4.482 1.00 0.00 H new ATOM 310 N ALA A 20 -9.018 0.493 -0.064 1.00 0.00 N ATOM 311 CA ALA A 20 -9.002 -0.555 -1.075 1.00 0.00 C ATOM 312 C ALA A 20 -8.444 -1.843 -0.481 1.00 0.00 C ATOM 313 O ALA A 20 -7.381 -1.829 0.140 1.00 0.00 O ATOM 314 CB ALA A 20 -8.140 -0.101 -2.254 1.00 0.00 C ATOM 0 H ALA A 20 -8.314 0.369 0.664 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.018 -0.745 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.124 -0.881 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.557 0.812 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.124 0.091 -1.909 1.00 0.00 H new ATOM 320 N ASP A 21 -9.143 -2.949 -0.717 1.00 0.00 N ATOM 321 CA ASP A 21 -8.786 -4.291 -0.267 1.00 0.00 C ATOM 322 C ASP A 21 -8.015 -4.900 -1.437 1.00 0.00 C ATOM 323 O ASP A 21 -8.603 -5.047 -2.511 1.00 0.00 O ATOM 324 CB ASP A 21 -10.059 -5.128 0.012 1.00 0.00 C ATOM 325 CG ASP A 21 -11.122 -4.471 0.893 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.806 -3.647 1.784 1.00 0.00 O ATOM 327 OD2 ASP A 21 -12.333 -4.686 0.627 1.00 0.00 O ATOM 0 H ASP A 21 -10.012 -2.934 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.206 -4.271 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.517 -5.383 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.757 -6.064 0.481 1.00 0.00 H new ATOM 332 N VAL A 22 -6.717 -5.193 -1.309 1.00 0.00 N ATOM 333 CA VAL A 22 -5.926 -5.723 -2.430 1.00 0.00 C ATOM 334 C VAL A 22 -5.277 -7.069 -2.077 1.00 0.00 C ATOM 335 O VAL A 22 -5.149 -7.424 -0.902 1.00 0.00 O ATOM 336 CB VAL A 22 -4.942 -4.660 -2.981 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.588 -3.275 -3.150 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.684 -4.470 -2.132 1.00 0.00 C ATOM 0 H VAL A 22 -6.191 -5.073 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.601 -5.943 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.660 -5.071 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.849 -2.574 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.423 -3.346 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.950 -2.922 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.049 -3.709 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.967 -4.153 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.138 -5.412 -2.075 1.00 0.00 H new ATOM 348 N LEU A 23 -4.858 -7.832 -3.089 1.00 0.00 N ATOM 349 CA LEU A 23 -4.202 -9.128 -2.931 1.00 0.00 C ATOM 350 C LEU A 23 -2.938 -9.127 -3.764 1.00 0.00 C ATOM 351 O LEU A 23 -3.012 -8.825 -4.955 1.00 0.00 O ATOM 352 CB LEU A 23 -5.077 -10.290 -3.442 1.00 0.00 C ATOM 353 CG LEU A 23 -6.251 -10.760 -2.573 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.840 -10.959 -1.114 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.470 -9.844 -2.682 1.00 0.00 C ATOM 0 H LEU A 23 -4.969 -7.557 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.007 -9.272 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.479 -10.000 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.425 -11.147 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.547 -11.731 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.702 -11.292 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.053 -11.711 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.472 -10.017 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.269 -10.225 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.199 -8.838 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.812 -9.815 -3.717 1.00 0.00 H new ATOM 367 N CYS A 24 -1.805 -9.485 -3.160 1.00 0.00 N ATOM 368 CA CYS A 24 -0.539 -9.661 -3.847 1.00 0.00 C ATOM 369 C CYS A 24 -0.265 -11.171 -3.931 1.00 0.00 C ATOM 370 O CYS A 24 0.229 -11.735 -2.954 1.00 0.00 O ATOM 371 CB CYS A 24 0.582 -8.909 -3.119 1.00 0.00 C ATOM 372 SG CYS A 24 2.221 -9.079 -3.888 1.00 0.00 S ATOM 0 H CYS A 24 -1.747 -9.663 -2.157 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.580 -9.243 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.323 -7.851 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.637 -9.269 -2.092 1.00 0.00 H new ATOM 377 N PRO A 25 -0.621 -11.847 -5.036 1.00 0.00 N ATOM 378 CA PRO A 25 -0.353 -13.268 -5.219 1.00 0.00 C ATOM 379 C PRO A 25 1.127 -13.524 -5.533 1.00 0.00 C ATOM 380 O PRO A 25 1.854 -12.619 -5.946 1.00 0.00 O ATOM 381 CB PRO A 25 -1.250 -13.671 -6.392 1.00 0.00 C ATOM 382 CG PRO A 25 -1.306 -12.407 -7.247 1.00 0.00 C ATOM 383 CD PRO A 25 -1.312 -11.306 -6.195 1.00 0.00 C ATOM 0 HA PRO A 25 -0.560 -13.848 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.833 -14.512 -6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.242 -13.972 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.447 -12.328 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.199 -12.378 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.810 -10.412 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.332 -11.017 -5.940 1.00 0.00 H new ATOM 391 N GLY A 26 1.563 -14.779 -5.449 1.00 0.00 N ATOM 392 CA GLY A 26 2.957 -15.134 -5.685 1.00 0.00 C ATOM 393 C GLY A 26 3.815 -14.694 -4.503 1.00 0.00 C ATOM 394 O GLY A 26 3.301 -14.519 -3.400 1.00 0.00 O ATOM 0 H GLY A 26 0.964 -15.571 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.047 -16.211 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.312 -14.659 -6.599 1.00 0.00 H new ATOM 398 N GLY A 27 5.125 -14.560 -4.719 1.00 0.00 N ATOM 399 CA GLY A 27 6.084 -14.265 -3.665 1.00 0.00 C ATOM 400 C GLY A 27 6.532 -12.806 -3.630 1.00 0.00 C ATOM 401 O GLY A 27 6.970 -12.358 -2.571 1.00 0.00 O ATOM 0 H GLY A 27 5.549 -14.655 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.642 -14.523 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.960 -14.901 -3.795 1.00 0.00 H new ATOM 405 N CYS A 28 6.419 -12.076 -4.750 1.00 0.00 N ATOM 406 CA CYS A 28 6.898 -10.707 -4.964 1.00 0.00 C ATOM 407 C CYS A 28 8.291 -10.461 -4.341 1.00 0.00 C ATOM 408 O CYS A 28 8.373 -9.841 -3.281 1.00 0.00 O ATOM 409 CB CYS A 28 5.844 -9.690 -4.494 1.00 0.00 C ATOM 410 SG CYS A 28 6.073 -8.048 -5.230 1.00 0.00 S ATOM 0 H CYS A 28 5.962 -12.452 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 28 7.037 -10.565 -6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.850 -10.061 -4.746 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.886 -9.605 -3.408 1.00 0.00 H new ATOM 415 N PRO A 29 9.388 -10.947 -4.956 1.00 0.00 N ATOM 416 CA PRO A 29 10.739 -10.881 -4.390 1.00 0.00 C ATOM 417 C PRO A 29 11.226 -9.435 -4.244 1.00 0.00 C ATOM 418 O PRO A 29 10.696 -8.544 -4.907 1.00 0.00 O ATOM 419 CB PRO A 29 11.619 -11.688 -5.348 1.00 0.00 C ATOM 420 CG PRO A 29 10.907 -11.535 -6.690 1.00 0.00 C ATOM 421 CD PRO A 29 9.429 -11.479 -6.307 1.00 0.00 C ATOM 0 HA PRO A 29 10.771 -11.290 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.636 -11.298 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.689 -12.733 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.221 -10.630 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.118 -12.373 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.871 -10.843 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.976 -12.470 -6.351 1.00 0.00 H new ATOM 429 N LEU A 30 12.263 -9.190 -3.428 1.00 0.00 N ATOM 430 CA LEU A 30 12.893 -7.870 -3.279 1.00 0.00 C ATOM 431 C LEU A 30 13.777 -7.616 -4.506 1.00 0.00 C ATOM 432 O LEU A 30 14.990 -7.436 -4.389 1.00 0.00 O ATOM 433 CB LEU A 30 13.777 -7.857 -2.013 1.00 0.00 C ATOM 434 CG LEU A 30 13.079 -8.120 -0.676 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.140 -8.366 0.387 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.208 -6.948 -0.230 1.00 0.00 C ATOM 0 H LEU A 30 12.692 -9.911 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 30 12.126 -7.100 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.560 -8.604 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.269 -6.886 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 30 12.430 -8.986 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.657 -8.555 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.742 -9.231 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.782 -7.489 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.736 -7.187 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.827 -6.058 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.438 -6.761 -0.979 1.00 0.00 H new ATOM 448 N GLU A 31 13.155 -7.551 -5.675 1.00 0.00 N ATOM 449 CA GLU A 31 13.802 -7.453 -6.966 1.00 0.00 C ATOM 450 C GLU A 31 13.883 -6.004 -7.442 1.00 0.00 C ATOM 451 O GLU A 31 14.962 -5.418 -7.505 1.00 0.00 O ATOM 452 CB GLU A 31 13.034 -8.380 -7.919 1.00 0.00 C ATOM 453 CG GLU A 31 13.565 -8.318 -9.349 1.00 0.00 C ATOM 454 CD GLU A 31 12.817 -9.251 -10.291 1.00 0.00 C ATOM 455 OE1 GLU A 31 11.566 -9.271 -10.287 1.00 0.00 O ATOM 456 OE2 GLU A 31 13.490 -9.900 -11.123 1.00 0.00 O ATOM 0 H GLU A 31 12.138 -7.566 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 31 14.842 -7.775 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.099 -9.405 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.979 -8.107 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.486 -7.295 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.624 -8.577 -9.351 1.00 0.00 H new ATOM 463 N GLU A 32 12.729 -5.431 -7.781 1.00 0.00 N ATOM 464 CA GLU A 32 12.584 -4.116 -8.377 1.00 0.00 C ATOM 465 C GLU A 32 11.420 -3.436 -7.669 1.00 0.00 C ATOM 466 O GLU A 32 10.266 -3.708 -8.011 1.00 0.00 O ATOM 467 CB GLU A 32 12.253 -4.247 -9.877 1.00 0.00 C ATOM 468 CG GLU A 32 13.413 -4.579 -10.823 1.00 0.00 C ATOM 469 CD GLU A 32 12.850 -5.139 -12.136 1.00 0.00 C ATOM 470 OE1 GLU A 32 12.016 -4.458 -12.778 1.00 0.00 O ATOM 471 OE2 GLU A 32 13.141 -6.313 -12.475 1.00 0.00 O ATOM 0 H GLU A 32 11.833 -5.897 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 32 13.507 -3.545 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.493 -5.021 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.805 -3.310 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.005 -3.685 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.079 -5.307 -10.359 1.00 0.00 H new ATOM 478 N PHE A 33 11.695 -2.571 -6.694 1.00 0.00 N ATOM 479 CA PHE A 33 10.694 -1.751 -6.021 1.00 0.00 C ATOM 480 C PHE A 33 11.260 -0.356 -5.819 1.00 0.00 C ATOM 481 O PHE A 33 12.478 -0.190 -5.714 1.00 0.00 O ATOM 482 CB PHE A 33 10.361 -2.282 -4.615 1.00 0.00 C ATOM 483 CG PHE A 33 9.794 -3.679 -4.507 1.00 0.00 C ATOM 484 CD1 PHE A 33 8.836 -4.144 -5.424 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.223 -4.517 -3.461 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.378 -5.467 -5.354 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.712 -5.819 -3.354 1.00 0.00 C ATOM 488 CZ PHE A 33 8.814 -6.301 -4.313 1.00 0.00 C ATOM 0 H PHE A 33 12.641 -2.419 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 33 9.799 -1.763 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.272 -2.243 -4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.649 -1.595 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.452 -3.480 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.944 -4.158 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.692 -5.843 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.012 -6.450 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.455 -7.318 -4.252 1.00 0.00 H new ATOM 498 N SER A 34 10.404 0.654 -5.890 1.00 0.00 N ATOM 499 CA SER A 34 10.743 2.024 -5.576 1.00 0.00 C ATOM 500 C SER A 34 9.677 2.419 -4.556 1.00 0.00 C ATOM 501 O SER A 34 8.493 2.101 -4.743 1.00 0.00 O ATOM 502 CB SER A 34 10.793 2.900 -6.829 1.00 0.00 C ATOM 503 OG SER A 34 11.512 4.086 -6.550 1.00 0.00 O ATOM 0 H SER A 34 9.432 0.534 -6.175 1.00 0.00 H new ATOM 0 HA SER A 34 11.745 2.153 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.269 2.357 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.782 3.144 -7.155 1.00 0.00 H new ATOM 0 HG SER A 34 11.022 4.857 -6.906 1.00 0.00 H new ATOM 509 N VAL A 35 10.063 3.074 -3.469 1.00 0.00 N ATOM 510 CA VAL A 35 9.130 3.552 -2.463 1.00 0.00 C ATOM 511 C VAL A 35 9.463 5.016 -2.222 1.00 0.00 C ATOM 512 O VAL A 35 10.609 5.444 -2.393 1.00 0.00 O ATOM 513 CB VAL A 35 9.190 2.645 -1.215 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.166 3.045 -0.151 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.860 1.195 -1.587 1.00 0.00 C ATOM 0 H VAL A 35 11.038 3.289 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 35 8.089 3.498 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 35 10.202 2.751 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.250 2.376 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.355 4.069 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.161 2.975 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.907 0.571 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.857 1.147 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.581 0.834 -2.321 1.00 0.00 H new ATOM 525 N TYR A 36 8.460 5.804 -1.851 1.00 0.00 N ATOM 526 CA TYR A 36 8.601 7.233 -1.711 1.00 0.00 C ATOM 527 C TYR A 36 7.883 7.647 -0.432 1.00 0.00 C ATOM 528 O TYR A 36 6.654 7.701 -0.409 1.00 0.00 O ATOM 529 CB TYR A 36 8.085 7.951 -2.962 1.00 0.00 C ATOM 530 CG TYR A 36 8.713 7.565 -4.287 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.351 6.355 -4.904 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.620 8.431 -4.928 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.934 5.969 -6.119 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.215 8.053 -6.145 1.00 0.00 C ATOM 535 CZ TYR A 36 9.888 6.810 -6.734 1.00 0.00 C ATOM 536 OH TYR A 36 10.493 6.406 -7.886 1.00 0.00 O ATOM 0 H TYR A 36 7.524 5.459 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 36 9.648 7.522 -1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.011 7.778 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.226 9.022 -2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.616 5.716 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.859 9.386 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.655 5.034 -6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.921 8.712 -6.629 1.00 0.00 H new ATOM 0 HH TYR A 36 11.122 7.095 -8.184 1.00 0.00 H new ATOM 546 N GLY A 37 8.660 7.899 0.622 1.00 0.00 N ATOM 547 CA GLY A 37 8.196 8.186 1.967 1.00 0.00 C ATOM 548 C GLY A 37 7.884 6.893 2.719 1.00 0.00 C ATOM 549 O GLY A 37 7.530 5.891 2.099 1.00 0.00 O ATOM 0 H GLY A 37 9.677 7.907 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.956 8.752 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.304 8.811 1.924 1.00 0.00 H new ATOM 553 N ASN A 38 8.093 6.876 4.041 1.00 0.00 N ATOM 554 CA ASN A 38 7.699 5.739 4.876 1.00 0.00 C ATOM 555 C ASN A 38 6.333 6.119 5.465 1.00 0.00 C ATOM 556 O ASN A 38 6.130 7.303 5.753 1.00 0.00 O ATOM 557 CB ASN A 38 8.703 5.458 6.002 1.00 0.00 C ATOM 558 CG ASN A 38 8.528 6.345 7.226 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.869 7.525 7.234 1.00 0.00 O ATOM 560 ND2 ASN A 38 7.946 5.771 8.265 1.00 0.00 N ATOM 0 H ASN A 38 8.534 7.639 4.555 1.00 0.00 H new ATOM 0 HA ASN A 38 7.663 4.826 4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.609 4.415 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.713 5.588 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.766 6.311 9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.677 4.788 8.220 1.00 0.00 H new ATOM 567 N ILE A 39 5.447 5.157 5.747 1.00 0.00 N ATOM 568 CA ILE A 39 4.054 5.339 6.190 1.00 0.00 C ATOM 569 C ILE A 39 3.267 6.126 5.147 1.00 0.00 C ATOM 570 O ILE A 39 2.345 5.575 4.554 1.00 0.00 O ATOM 571 CB ILE A 39 3.935 5.888 7.633 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.421 4.877 8.693 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.489 6.305 7.951 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.749 3.500 8.615 1.00 0.00 C ATOM 0 H ILE A 39 5.695 4.171 5.668 1.00 0.00 H new ATOM 0 HA ILE A 39 3.589 4.355 6.259 1.00 0.00 H new ATOM 0 HB ILE A 39 4.584 6.762 7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.498 4.748 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.247 5.297 9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.436 6.686 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.173 7.083 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.831 5.442 7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.151 2.854 9.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.674 3.612 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.945 3.054 7.640 1.00 0.00 H new ATOM 586 N VAL A 40 3.568 7.410 4.975 1.00 0.00 N ATOM 587 CA VAL A 40 3.011 8.234 3.934 1.00 0.00 C ATOM 588 C VAL A 40 3.792 7.763 2.713 1.00 0.00 C ATOM 589 O VAL A 40 4.896 8.249 2.449 1.00 0.00 O ATOM 590 CB VAL A 40 3.243 9.723 4.256 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.840 10.627 3.087 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.428 10.138 5.480 1.00 0.00 C ATOM 0 H VAL A 40 4.224 7.908 5.577 1.00 0.00 H new ATOM 0 HA VAL A 40 1.933 8.147 3.800 1.00 0.00 H new ATOM 0 HB VAL A 40 4.309 9.841 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.019 11.669 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.432 10.371 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.782 10.486 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.604 11.192 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.368 9.979 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.730 9.539 6.339 1.00 0.00 H new ATOM 602 N TYR A 41 3.220 6.803 2.000 1.00 0.00 N ATOM 603 CA TYR A 41 3.730 6.296 0.750 1.00 0.00 C ATOM 604 C TYR A 41 3.089 7.164 -0.320 1.00 0.00 C ATOM 605 O TYR A 41 1.862 7.196 -0.445 1.00 0.00 O ATOM 606 CB TYR A 41 3.362 4.810 0.611 1.00 0.00 C ATOM 607 CG TYR A 41 4.017 3.938 1.669 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.410 3.772 1.656 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.265 3.369 2.713 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.064 3.059 2.675 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.910 2.670 3.752 1.00 0.00 C ATOM 612 CZ TYR A 41 5.315 2.513 3.737 1.00 0.00 C ATOM 613 OH TYR A 41 5.952 1.923 4.786 1.00 0.00 O ATOM 0 H TYR A 41 2.357 6.344 2.293 1.00 0.00 H new ATOM 0 HA TYR A 41 4.816 6.343 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.279 4.701 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.658 4.458 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.989 4.199 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.190 3.468 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.136 2.930 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.330 2.253 4.562 1.00 0.00 H new ATOM 0 HH TYR A 41 6.838 1.616 4.500 1.00 0.00 H new ATOM 623 N ALA A 42 3.878 7.959 -1.039 1.00 0.00 N ATOM 624 CA ALA A 42 3.332 8.703 -2.160 1.00 0.00 C ATOM 625 C ALA A 42 2.900 7.719 -3.248 1.00 0.00 C ATOM 626 O ALA A 42 3.479 6.638 -3.391 1.00 0.00 O ATOM 627 CB ALA A 42 4.338 9.711 -2.698 1.00 0.00 C ATOM 0 H ALA A 42 4.874 8.100 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 42 2.465 9.271 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.899 10.251 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.603 10.416 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.234 9.188 -3.033 1.00 0.00 H new ATOM 633 N SER A 43 1.956 8.173 -4.068 1.00 0.00 N ATOM 634 CA SER A 43 1.363 7.539 -5.239 1.00 0.00 C ATOM 635 C SER A 43 2.364 6.674 -6.026 1.00 0.00 C ATOM 636 O SER A 43 2.128 5.497 -6.268 1.00 0.00 O ATOM 637 CB SER A 43 0.808 8.720 -6.049 1.00 0.00 C ATOM 638 OG SER A 43 0.078 8.408 -7.206 1.00 0.00 O ATOM 0 H SER A 43 1.545 9.093 -3.910 1.00 0.00 H new ATOM 0 HA SER A 43 0.586 6.822 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.168 9.311 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.644 9.357 -6.337 1.00 0.00 H new ATOM 0 HG SER A 43 0.419 8.934 -7.959 1.00 0.00 H new ATOM 644 N VAL A 44 3.514 7.229 -6.400 1.00 0.00 N ATOM 645 CA VAL A 44 4.507 6.584 -7.257 1.00 0.00 C ATOM 646 C VAL A 44 5.148 5.311 -6.647 1.00 0.00 C ATOM 647 O VAL A 44 5.800 4.565 -7.377 1.00 0.00 O ATOM 648 CB VAL A 44 5.466 7.693 -7.761 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.075 8.535 -6.628 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.550 7.200 -8.727 1.00 0.00 C ATOM 0 H VAL A 44 3.789 8.167 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 44 4.036 6.136 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 44 4.816 8.349 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.736 9.292 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.277 9.022 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.645 7.889 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.176 8.039 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.165 6.449 -8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.081 6.761 -9.607 1.00 0.00 H new ATOM 660 N SER A 45 4.990 5.034 -5.348 1.00 0.00 N ATOM 661 CA SER A 45 5.518 3.828 -4.706 1.00 0.00 C ATOM 662 C SER A 45 4.860 2.534 -5.212 1.00 0.00 C ATOM 663 O SER A 45 3.660 2.512 -5.493 1.00 0.00 O ATOM 664 CB SER A 45 5.277 3.910 -3.191 1.00 0.00 C ATOM 665 OG SER A 45 5.686 5.155 -2.654 1.00 0.00 O ATOM 0 H SER A 45 4.487 5.648 -4.707 1.00 0.00 H new ATOM 0 HA SER A 45 6.579 3.789 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.218 3.756 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.819 3.105 -2.694 1.00 0.00 H new ATOM 0 HG SER A 45 4.983 5.822 -2.802 1.00 0.00 H new ATOM 671 N SER A 46 5.625 1.441 -5.280 1.00 0.00 N ATOM 672 CA SER A 46 5.107 0.111 -5.603 1.00 0.00 C ATOM 673 C SER A 46 4.173 -0.321 -4.467 1.00 0.00 C ATOM 674 O SER A 46 4.445 0.008 -3.309 1.00 0.00 O ATOM 675 CB SER A 46 6.294 -0.852 -5.765 1.00 0.00 C ATOM 676 OG SER A 46 5.885 -2.203 -5.867 1.00 0.00 O ATOM 0 H SER A 46 6.631 1.456 -5.111 1.00 0.00 H new ATOM 0 HA SER A 46 4.544 0.110 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.861 -0.579 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.966 -0.742 -4.914 1.00 0.00 H new ATOM 0 HG SER A 46 6.653 -2.790 -5.706 1.00 0.00 H new ATOM 682 N ILE A 47 3.098 -1.071 -4.754 1.00 0.00 N ATOM 683 CA ILE A 47 2.257 -1.613 -3.685 1.00 0.00 C ATOM 684 C ILE A 47 3.070 -2.676 -2.936 1.00 0.00 C ATOM 685 O ILE A 47 3.029 -2.667 -1.710 1.00 0.00 O ATOM 686 CB ILE A 47 0.888 -2.134 -4.198 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.052 -0.948 -4.735 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.088 -2.840 -3.083 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.285 -1.343 -5.379 1.00 0.00 C ATOM 0 H ILE A 47 2.798 -1.310 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 47 1.988 -0.816 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 47 1.086 -2.857 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.146 -0.259 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.647 -0.405 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.864 -3.190 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.658 -3.690 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.097 -2.140 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.801 -0.447 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.100 -2.005 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.905 -1.857 -4.644 1.00 0.00 H new ATOM 701 N CYS A 48 3.834 -3.554 -3.614 1.00 0.00 N ATOM 702 CA CYS A 48 4.715 -4.487 -2.900 1.00 0.00 C ATOM 703 C CYS A 48 5.725 -3.709 -2.081 1.00 0.00 C ATOM 704 O CYS A 48 5.895 -4.011 -0.903 1.00 0.00 O ATOM 705 CB CYS A 48 5.508 -5.415 -3.820 1.00 0.00 C ATOM 706 SG CYS A 48 4.623 -6.847 -4.436 1.00 0.00 S ATOM 0 H CYS A 48 3.858 -3.634 -4.631 1.00 0.00 H new ATOM 0 HA CYS A 48 4.055 -5.097 -2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.861 -4.835 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.391 -5.761 -3.282 1.00 0.00 H new ATOM 711 N GLY A 49 6.365 -2.718 -2.711 1.00 0.00 N ATOM 712 CA GLY A 49 7.309 -1.831 -2.065 1.00 0.00 C ATOM 713 C GLY A 49 6.732 -1.317 -0.752 1.00 0.00 C ATOM 714 O GLY A 49 7.246 -1.647 0.310 1.00 0.00 O ATOM 0 H GLY A 49 6.232 -2.515 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.245 -2.357 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.540 -0.993 -2.722 1.00 0.00 H new ATOM 718 N ALA A 50 5.644 -0.550 -0.818 1.00 0.00 N ATOM 719 CA ALA A 50 4.985 0.033 0.339 1.00 0.00 C ATOM 720 C ALA A 50 4.572 -1.033 1.358 1.00 0.00 C ATOM 721 O ALA A 50 4.801 -0.843 2.547 1.00 0.00 O ATOM 722 CB ALA A 50 3.767 0.842 -0.125 1.00 0.00 C ATOM 0 H ALA A 50 5.190 -0.314 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 50 5.692 0.693 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.270 1.281 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.092 1.636 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.072 0.185 -0.648 1.00 0.00 H new ATOM 728 N ALA A 51 3.947 -2.130 0.919 1.00 0.00 N ATOM 729 CA ALA A 51 3.399 -3.160 1.794 1.00 0.00 C ATOM 730 C ALA A 51 4.491 -3.857 2.593 1.00 0.00 C ATOM 731 O ALA A 51 4.402 -3.929 3.819 1.00 0.00 O ATOM 732 CB ALA A 51 2.592 -4.173 0.977 1.00 0.00 C ATOM 0 H ALA A 51 3.808 -2.326 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 51 2.734 -2.675 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.188 -4.937 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.773 -3.662 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.240 -4.642 0.236 1.00 0.00 H new ATOM 738 N VAL A 52 5.481 -4.421 1.908 1.00 0.00 N ATOM 739 CA VAL A 52 6.589 -5.116 2.540 1.00 0.00 C ATOM 740 C VAL A 52 7.445 -4.121 3.341 1.00 0.00 C ATOM 741 O VAL A 52 7.898 -4.475 4.425 1.00 0.00 O ATOM 742 CB VAL A 52 7.354 -5.944 1.487 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.514 -6.727 2.114 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.434 -6.965 0.791 1.00 0.00 C ATOM 0 H VAL A 52 5.534 -4.406 0.889 1.00 0.00 H new ATOM 0 HA VAL A 52 6.233 -5.840 3.273 1.00 0.00 H new ATOM 0 HB VAL A 52 7.735 -5.224 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.028 -7.297 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.214 -6.032 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.126 -7.409 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.008 -7.530 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.022 -7.649 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.620 -6.440 0.291 1.00 0.00 H new ATOM 754 N HIS A 53 7.612 -2.868 2.893 1.00 0.00 N ATOM 755 CA HIS A 53 8.309 -1.824 3.653 1.00 0.00 C ATOM 756 C HIS A 53 7.591 -1.603 4.987 1.00 0.00 C ATOM 757 O HIS A 53 8.169 -1.753 6.063 1.00 0.00 O ATOM 758 CB HIS A 53 8.389 -0.532 2.823 1.00 0.00 C ATOM 759 CG HIS A 53 9.153 0.579 3.484 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.710 1.360 4.553 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.428 0.929 3.161 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.766 2.124 4.885 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.799 1.903 4.054 1.00 0.00 N ATOM 0 H HIS A 53 7.265 -2.550 1.988 1.00 0.00 H new ATOM 0 HA HIS A 53 9.331 -2.137 3.867 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.855 -0.758 1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.377 -0.186 2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.028 0.521 2.361 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.782 2.822 5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.702 2.377 4.082 1.00 0.00 H new ATOM 771 N ARG A 54 6.286 -1.328 4.926 1.00 0.00 N ATOM 772 CA ARG A 54 5.392 -1.209 6.076 1.00 0.00 C ATOM 773 C ARG A 54 5.407 -2.477 6.931 1.00 0.00 C ATOM 774 O ARG A 54 5.042 -2.404 8.108 1.00 0.00 O ATOM 775 CB ARG A 54 3.986 -0.864 5.554 1.00 0.00 C ATOM 776 CG ARG A 54 2.844 -0.906 6.572 1.00 0.00 C ATOM 777 CD ARG A 54 3.018 0.035 7.769 1.00 0.00 C ATOM 778 NE ARG A 54 1.922 -0.141 8.731 1.00 0.00 N ATOM 779 CZ ARG A 54 1.672 -1.225 9.478 1.00 0.00 C ATOM 780 NH1 ARG A 54 2.501 -2.265 9.523 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.555 -1.293 10.186 1.00 0.00 N ATOM 0 H ARG A 54 5.806 -1.177 4.039 1.00 0.00 H new ATOM 0 HA ARG A 54 5.732 -0.411 6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.020 0.136 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.745 -1.553 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.913 -0.656 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.742 -1.926 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.972 -0.162 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.044 1.069 7.425 1.00 0.00 H new ATOM 0 HE ARG A 54 1.283 0.646 8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.362 -2.255 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.275 -3.072 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.112 -0.522 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.362 -2.117 10.756 1.00 0.00 H new ATOM 795 N GLY A 55 5.770 -3.630 6.377 1.00 0.00 N ATOM 796 CA GLY A 55 5.756 -4.900 7.076 1.00 0.00 C ATOM 797 C GLY A 55 4.327 -5.402 7.238 1.00 0.00 C ATOM 798 O GLY A 55 4.001 -5.962 8.282 1.00 0.00 O ATOM 0 H GLY A 55 6.087 -3.703 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.345 -5.632 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.222 -4.789 8.055 1.00 0.00 H new ATOM 802 N VAL A 56 3.446 -5.134 6.271 1.00 0.00 N ATOM 803 CA VAL A 56 2.094 -5.686 6.266 1.00 0.00 C ATOM 804 C VAL A 56 2.252 -7.204 6.201 1.00 0.00 C ATOM 805 O VAL A 56 1.817 -7.945 7.080 1.00 0.00 O ATOM 806 CB VAL A 56 1.307 -5.148 5.051 1.00 0.00 C ATOM 807 CG1 VAL A 56 -0.057 -5.822 4.928 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.094 -3.636 5.158 1.00 0.00 C ATOM 0 H VAL A 56 3.651 -4.531 5.474 1.00 0.00 H new ATOM 0 HA VAL A 56 1.534 -5.398 7.156 1.00 0.00 H new ATOM 0 HB VAL A 56 1.903 -5.373 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.585 -5.420 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.078 -6.896 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.640 -5.631 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.537 -3.285 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.532 -3.411 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.061 -3.134 5.197 1.00 0.00 H new ATOM 818 N ILE A 57 2.942 -7.641 5.161 1.00 0.00 N ATOM 819 CA ILE A 57 3.353 -8.993 4.872 1.00 0.00 C ATOM 820 C ILE A 57 4.877 -8.955 4.818 1.00 0.00 C ATOM 821 O ILE A 57 5.470 -7.892 4.592 1.00 0.00 O ATOM 822 CB ILE A 57 2.744 -9.441 3.514 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.823 -8.330 2.432 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.283 -9.879 3.715 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.624 -8.809 0.989 1.00 0.00 C ATOM 0 H ILE A 57 3.254 -6.995 4.436 1.00 0.00 H new ATOM 0 HA ILE A 57 3.012 -9.706 5.622 1.00 0.00 H new ATOM 0 HB ILE A 57 3.337 -10.282 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.070 -7.574 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.795 -7.842 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.862 -10.192 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.246 -10.712 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.704 -9.044 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.697 -7.959 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.393 -9.540 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.640 -9.268 0.890 1.00 0.00 H new ATOM 837 N SER A 58 5.505 -10.102 5.047 1.00 0.00 N ATOM 838 CA SER A 58 6.943 -10.240 4.879 1.00 0.00 C ATOM 839 C SER A 58 7.171 -10.263 3.358 1.00 0.00 C ATOM 840 O SER A 58 6.206 -10.189 2.582 1.00 0.00 O ATOM 841 CB SER A 58 7.437 -11.548 5.508 1.00 0.00 C ATOM 842 OG SER A 58 6.864 -11.795 6.783 1.00 0.00 O ATOM 0 H SER A 58 5.035 -10.955 5.352 1.00 0.00 H new ATOM 0 HA SER A 58 7.486 -9.429 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.202 -12.378 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.522 -11.513 5.603 1.00 0.00 H new ATOM 0 HG SER A 58 7.210 -12.640 7.139 1.00 0.00 H new ATOM 848 N ASN A 59 8.418 -10.314 2.886 1.00 0.00 N ATOM 849 CA ASN A 59 8.664 -10.482 1.454 1.00 0.00 C ATOM 850 C ASN A 59 8.261 -11.914 1.049 1.00 0.00 C ATOM 851 O ASN A 59 9.099 -12.801 0.898 1.00 0.00 O ATOM 852 CB ASN A 59 10.115 -10.162 1.085 1.00 0.00 C ATOM 853 CG ASN A 59 10.165 -10.120 -0.428 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.551 -11.081 -1.077 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.689 -9.037 -1.015 1.00 0.00 N ATOM 0 H ASN A 59 9.257 -10.243 3.461 1.00 0.00 H new ATOM 0 HA ASN A 59 8.055 -9.771 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.424 -9.208 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.793 -10.921 1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.637 -8.989 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.373 -8.248 -0.451 1.00 0.00 H new ATOM 862 N SER A 60 6.955 -12.165 0.967 1.00 0.00 N ATOM 863 CA SER A 60 6.340 -13.459 0.739 1.00 0.00 C ATOM 864 C SER A 60 5.043 -13.395 -0.080 1.00 0.00 C ATOM 865 O SER A 60 4.563 -14.447 -0.505 1.00 0.00 O ATOM 866 CB SER A 60 6.072 -14.069 2.123 1.00 0.00 C ATOM 867 OG SER A 60 5.917 -15.470 2.071 1.00 0.00 O ATOM 0 H SER A 60 6.263 -11.422 1.065 1.00 0.00 H new ATOM 0 HA SER A 60 7.017 -14.069 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.896 -13.822 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.173 -13.622 2.546 1.00 0.00 H new ATOM 0 HG SER A 60 5.421 -15.714 1.262 1.00 0.00 H new ATOM 873 N GLY A 61 4.459 -12.205 -0.262 1.00 0.00 N ATOM 874 CA GLY A 61 3.158 -12.030 -0.900 1.00 0.00 C ATOM 875 C GLY A 61 2.055 -12.265 0.136 1.00 0.00 C ATOM 876 O GLY A 61 2.319 -12.743 1.244 1.00 0.00 O ATOM 0 H GLY A 61 4.886 -11.328 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.075 -11.026 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.049 -12.728 -1.730 1.00 0.00 H new ATOM 880 N GLY A 62 0.807 -11.930 -0.189 1.00 0.00 N ATOM 881 CA GLY A 62 -0.313 -12.018 0.735 1.00 0.00 C ATOM 882 C GLY A 62 -1.290 -10.862 0.554 1.00 0.00 C ATOM 883 O GLY A 62 -1.170 -10.092 -0.407 1.00 0.00 O ATOM 0 H GLY A 62 0.547 -11.586 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.836 -12.962 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.060 -12.021 1.759 1.00 0.00 H new ATOM 887 N PRO A 63 -2.303 -10.758 1.426 1.00 0.00 N ATOM 888 CA PRO A 63 -3.301 -9.717 1.331 1.00 0.00 C ATOM 889 C PRO A 63 -2.738 -8.412 1.889 1.00 0.00 C ATOM 890 O PRO A 63 -1.868 -8.409 2.764 1.00 0.00 O ATOM 891 CB PRO A 63 -4.458 -10.244 2.165 1.00 0.00 C ATOM 892 CG PRO A 63 -3.757 -10.964 3.315 1.00 0.00 C ATOM 893 CD PRO A 63 -2.533 -11.564 2.620 1.00 0.00 C ATOM 0 HA PRO A 63 -3.612 -9.496 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.096 -9.437 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.092 -10.921 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.476 -10.278 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.389 -11.732 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.664 -11.542 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.708 -12.607 2.357 1.00 0.00 H new ATOM 901 N VAL A 64 -3.251 -7.293 1.395 1.00 0.00 N ATOM 902 CA VAL A 64 -2.814 -5.968 1.788 1.00 0.00 C ATOM 903 C VAL A 64 -4.056 -5.073 1.724 1.00 0.00 C ATOM 904 O VAL A 64 -4.991 -5.341 0.970 1.00 0.00 O ATOM 905 CB VAL A 64 -1.688 -5.510 0.830 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.068 -4.185 1.226 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.533 -6.508 0.617 1.00 0.00 C ATOM 0 H VAL A 64 -3.995 -7.285 0.698 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.398 -5.931 2.795 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.234 -5.422 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.286 -3.922 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.835 -3.410 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.637 -4.269 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.195 -6.080 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.051 -6.716 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.926 -7.435 0.200 1.00 0.00 H new ATOM 917 N ARG A 65 -4.073 -3.976 2.474 1.00 0.00 N ATOM 918 CA ARG A 65 -5.196 -3.047 2.493 1.00 0.00 C ATOM 919 C ARG A 65 -4.673 -1.627 2.491 1.00 0.00 C ATOM 920 O ARG A 65 -3.894 -1.251 3.368 1.00 0.00 O ATOM 921 CB ARG A 65 -6.078 -3.357 3.701 1.00 0.00 C ATOM 922 CG ARG A 65 -7.336 -2.477 3.743 1.00 0.00 C ATOM 923 CD ARG A 65 -8.414 -3.144 4.594 1.00 0.00 C ATOM 924 NE ARG A 65 -7.985 -3.368 5.985 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.446 -4.341 6.777 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.432 -5.139 6.385 1.00 0.00 N ATOM 927 NH2 ARG A 65 -7.928 -4.535 7.979 1.00 0.00 N ATOM 0 H ARG A 65 -3.305 -3.706 3.088 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.814 -3.160 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.372 -4.406 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.503 -3.210 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.091 -1.498 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.709 -2.314 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.310 -2.523 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.687 -4.099 4.144 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.285 -2.735 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.852 -5.016 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.769 -5.876 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.169 -3.939 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.288 -5.281 8.575 1.00 0.00 H new ATOM 941 N VAL A 66 -5.052 -0.856 1.482 1.00 0.00 N ATOM 942 CA VAL A 66 -4.674 0.545 1.345 1.00 0.00 C ATOM 943 C VAL A 66 -5.772 1.420 1.964 1.00 0.00 C ATOM 944 O VAL A 66 -6.958 1.101 1.858 1.00 0.00 O ATOM 945 CB VAL A 66 -4.460 0.846 -0.158 1.00 0.00 C ATOM 946 CG1 VAL A 66 -4.237 2.335 -0.460 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.263 0.057 -0.720 1.00 0.00 C ATOM 0 H VAL A 66 -5.642 -1.192 0.721 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.745 0.763 1.871 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.386 0.536 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.094 2.471 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.106 2.906 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.352 2.685 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.138 0.290 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.358 0.334 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.444 -1.011 -0.602 1.00 0.00 H new ATOM 957 N TYR A 67 -5.373 2.538 2.570 1.00 0.00 N ATOM 958 CA TYR A 67 -6.220 3.595 3.111 1.00 0.00 C ATOM 959 C TYR A 67 -5.634 4.891 2.552 1.00 0.00 C ATOM 960 O TYR A 67 -4.406 5.045 2.528 1.00 0.00 O ATOM 961 CB TYR A 67 -6.183 3.626 4.646 1.00 0.00 C ATOM 962 CG TYR A 67 -7.000 2.563 5.355 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.361 2.789 5.639 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.389 1.378 5.801 1.00 0.00 C ATOM 965 CE1 TYR A 67 -9.111 1.827 6.338 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.130 0.424 6.523 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.497 0.639 6.782 1.00 0.00 C ATOM 968 OH TYR A 67 -9.222 -0.278 7.476 1.00 0.00 O ATOM 0 H TYR A 67 -4.382 2.741 2.704 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.263 3.443 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.145 3.531 4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.531 4.604 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.831 3.707 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.345 1.199 5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.159 1.999 6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.649 -0.475 6.879 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.650 -1.040 7.707 1.00 0.00 H new ATOM 978 N SER A 68 -6.474 5.818 2.088 1.00 0.00 N ATOM 979 CA SER A 68 -5.981 7.098 1.615 1.00 0.00 C ATOM 980 C SER A 68 -5.357 7.853 2.786 1.00 0.00 C ATOM 981 O SER A 68 -5.690 7.638 3.962 1.00 0.00 O ATOM 982 CB SER A 68 -7.087 7.918 0.926 1.00 0.00 C ATOM 983 OG SER A 68 -8.054 8.391 1.847 1.00 0.00 O ATOM 0 H SER A 68 -7.486 5.702 2.033 1.00 0.00 H new ATOM 0 HA SER A 68 -5.217 6.928 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.639 8.764 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.577 7.303 0.171 1.00 0.00 H new ATOM 0 HG SER A 68 -8.643 9.035 1.401 1.00 0.00 H new ATOM 989 N LEU A 69 -4.436 8.744 2.448 1.00 0.00 N ATOM 990 CA LEU A 69 -3.801 9.667 3.363 1.00 0.00 C ATOM 991 C LEU A 69 -3.787 11.001 2.609 1.00 0.00 C ATOM 992 O LEU A 69 -3.602 10.981 1.386 1.00 0.00 O ATOM 993 CB LEU A 69 -2.424 9.093 3.731 1.00 0.00 C ATOM 994 CG LEU A 69 -1.790 9.725 4.981 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.906 8.684 5.671 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.973 10.969 4.615 1.00 0.00 C ATOM 0 H LEU A 69 -4.101 8.843 1.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.304 9.819 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.522 8.019 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.749 9.230 2.886 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.581 10.042 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.452 9.123 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.513 7.826 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.123 8.360 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.536 11.396 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.178 10.691 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.623 11.706 4.144 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.033 12.148 3.259 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.142 13.427 2.570 1.00 0.00 C ATOM 1010 C PRO A 70 -2.858 13.846 1.848 1.00 0.00 C ATOM 1011 O PRO A 70 -1.799 13.228 1.979 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.541 14.436 3.649 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.146 13.774 4.961 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.359 12.301 4.667 1.00 0.00 C ATOM 0 HA PRO A 70 -4.880 13.365 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.024 15.386 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.610 14.647 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.111 13.988 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.766 14.116 5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.718 11.677 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.388 12.003 4.869 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.967 14.932 1.077 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.835 15.559 0.417 1.00 0.00 C ATOM 1024 C GLY A 71 -0.799 15.896 1.479 1.00 0.00 C ATOM 1025 O GLY A 71 -1.123 16.560 2.471 1.00 0.00 O ATOM 0 H GLY A 71 -3.855 15.400 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.410 14.889 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.151 16.461 -0.107 1.00 0.00 H new ATOM 1029 N ARG A 72 0.434 15.447 1.272 1.00 0.00 N ATOM 1030 CA ARG A 72 1.541 15.545 2.212 1.00 0.00 C ATOM 1031 C ARG A 72 2.729 16.249 1.609 1.00 0.00 C ATOM 1032 O ARG A 72 2.794 16.518 0.414 1.00 0.00 O ATOM 1033 CB ARG A 72 1.889 14.162 2.801 1.00 0.00 C ATOM 1034 CG ARG A 72 0.980 13.760 3.967 1.00 0.00 C ATOM 1035 CD ARG A 72 1.666 14.253 5.253 1.00 0.00 C ATOM 1036 NE ARG A 72 0.820 14.150 6.450 1.00 0.00 N ATOM 1037 CZ ARG A 72 0.579 15.132 7.330 1.00 0.00 C ATOM 1038 NH1 ARG A 72 0.961 16.388 7.123 1.00 0.00 N ATOM 1039 NH2 ARG A 72 -0.070 14.837 8.446 1.00 0.00 N ATOM 0 H ARG A 72 0.700 14.983 0.403 1.00 0.00 H new ATOM 0 HA ARG A 72 1.222 16.169 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.816 13.410 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.925 14.168 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.008 14.208 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.839 12.679 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.577 13.676 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.966 15.292 5.119 1.00 0.00 H new ATOM 0 HE ARG A 72 0.376 13.249 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.458 16.635 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.757 17.105 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.375 13.879 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.265 15.567 9.131 1.00 0.00 H new ATOM 1053 N GLU A 73 3.630 16.610 2.505 1.00 0.00 N ATOM 1054 CA GLU A 73 4.833 17.386 2.350 1.00 0.00 C ATOM 1055 C GLU A 73 5.820 16.826 3.380 1.00 0.00 C ATOM 1056 O GLU A 73 5.425 16.010 4.215 1.00 0.00 O ATOM 1057 CB GLU A 73 4.510 18.875 2.592 1.00 0.00 C ATOM 1058 CG GLU A 73 3.935 19.217 3.986 1.00 0.00 C ATOM 1059 CD GLU A 73 2.490 18.743 4.211 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.557 19.332 3.620 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.249 17.817 5.024 1.00 0.00 O ATOM 0 H GLU A 73 3.514 16.327 3.478 1.00 0.00 H new ATOM 0 HA GLU A 73 5.261 17.321 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.421 19.455 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.797 19.201 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.574 18.771 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.976 20.297 4.128 1.00 0.00 H new ATOM 1068 N ASN A 74 7.075 17.291 3.354 1.00 0.00 N ATOM 1069 CA ASN A 74 8.105 16.948 4.344 1.00 0.00 C ATOM 1070 C ASN A 74 8.180 15.436 4.579 1.00 0.00 C ATOM 1071 O ASN A 74 8.092 14.950 5.708 1.00 0.00 O ATOM 1072 CB ASN A 74 7.895 17.740 5.648 1.00 0.00 C ATOM 1073 CG ASN A 74 7.837 19.244 5.424 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.470 19.778 4.522 1.00 0.00 O ATOM 1075 ND2 ASN A 74 7.047 19.957 6.208 1.00 0.00 N ATOM 0 H ASN A 74 7.410 17.928 2.631 1.00 0.00 H new ATOM 0 HA ASN A 74 9.075 17.242 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.969 17.412 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.705 17.512 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.960 20.963 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.525 19.501 6.956 1.00 0.00 H new ATOM 1082 N TYR A 75 8.323 14.690 3.484 1.00 0.00 N ATOM 1083 CA TYR A 75 8.468 13.241 3.497 1.00 0.00 C ATOM 1084 C TYR A 75 9.876 12.891 3.996 1.00 0.00 C ATOM 1085 O TYR A 75 10.698 13.774 4.255 1.00 0.00 O ATOM 1086 CB TYR A 75 8.248 12.696 2.080 1.00 0.00 C ATOM 1087 CG TYR A 75 6.881 12.941 1.468 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.571 14.196 0.909 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.957 11.882 1.366 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.338 14.402 0.271 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.740 12.074 0.692 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.418 13.339 0.168 1.00 0.00 C ATOM 1093 OH TYR A 75 3.238 13.531 -0.467 1.00 0.00 O ATOM 0 H TYR A 75 8.341 15.088 2.545 1.00 0.00 H new ATOM 0 HA TYR A 75 7.730 12.791 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.000 13.135 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.428 11.621 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.285 15.004 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.185 10.922 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.095 15.371 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.051 11.250 0.576 1.00 0.00 H new ATOM 0 HH TYR A 75 2.649 12.765 -0.302 1.00 0.00 H new ATOM 1103 N SER A 76 10.188 11.604 4.113 1.00 0.00 N ATOM 1104 CA SER A 76 11.453 11.128 4.657 1.00 0.00 C ATOM 1105 C SER A 76 11.970 9.967 3.813 1.00 0.00 C ATOM 1106 O SER A 76 11.271 9.492 2.916 1.00 0.00 O ATOM 1107 CB SER A 76 11.249 10.741 6.129 1.00 0.00 C ATOM 1108 OG SER A 76 10.608 11.802 6.821 1.00 0.00 O ATOM 0 H SER A 76 9.560 10.853 3.828 1.00 0.00 H new ATOM 0 HA SER A 76 12.209 11.912 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.647 9.835 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.210 10.520 6.593 1.00 0.00 H new ATOM 0 HG SER A 76 10.479 11.550 7.759 1.00 0.00 H new ATOM 1114 N SER A 77 13.189 9.520 4.104 1.00 0.00 N ATOM 1115 CA SER A 77 13.820 8.409 3.423 1.00 0.00 C ATOM 1116 C SER A 77 14.195 7.394 4.499 1.00 0.00 C ATOM 1117 O SER A 77 14.878 7.756 5.459 1.00 0.00 O ATOM 1118 CB SER A 77 15.046 8.914 2.646 1.00 0.00 C ATOM 1119 OG SER A 77 14.734 10.021 1.805 1.00 0.00 O ATOM 0 H SER A 77 13.771 9.932 4.834 1.00 0.00 H new ATOM 0 HA SER A 77 13.159 7.940 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.826 9.204 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.449 8.102 2.040 1.00 0.00 H new ATOM 0 HG SER A 77 15.542 10.310 1.332 1.00 0.00 H new ATOM 1125 N VAL A 78 13.720 6.156 4.368 1.00 0.00 N ATOM 1126 CA VAL A 78 13.870 5.086 5.353 1.00 0.00 C ATOM 1127 C VAL A 78 13.895 3.763 4.583 1.00 0.00 C ATOM 1128 O VAL A 78 13.103 3.601 3.651 1.00 0.00 O ATOM 1129 CB VAL A 78 12.663 5.082 6.334 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.918 4.162 7.534 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.261 6.462 6.882 1.00 0.00 C ATOM 0 H VAL A 78 13.201 5.860 3.542 1.00 0.00 H new ATOM 0 HA VAL A 78 14.783 5.229 5.931 1.00 0.00 H new ATOM 0 HB VAL A 78 11.839 4.719 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.054 4.183 8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.081 3.143 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.800 4.505 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.411 6.352 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.100 6.897 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.986 7.116 6.055 1.00 0.00 H new ATOM 1141 N ASP A 79 14.746 2.811 4.947 1.00 0.00 N ATOM 1142 CA ASP A 79 14.739 1.471 4.358 1.00 0.00 C ATOM 1143 C ASP A 79 14.099 0.536 5.371 1.00 0.00 C ATOM 1144 O ASP A 79 14.283 0.706 6.584 1.00 0.00 O ATOM 1145 CB ASP A 79 16.143 0.962 4.009 1.00 0.00 C ATOM 1146 CG ASP A 79 16.151 -0.427 3.341 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.814 -1.451 3.980 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.618 -0.527 2.185 1.00 0.00 O ATOM 0 H ASP A 79 15.463 2.944 5.660 1.00 0.00 H new ATOM 0 HA ASP A 79 14.183 1.506 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.624 1.678 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.741 0.921 4.919 1.00 0.00 H new ATOM 1153 N ALA A 80 13.293 -0.395 4.880 1.00 0.00 N ATOM 1154 CA ALA A 80 12.705 -1.454 5.663 1.00 0.00 C ATOM 1155 C ALA A 80 12.719 -2.689 4.777 1.00 0.00 C ATOM 1156 O ALA A 80 12.283 -2.636 3.628 1.00 0.00 O ATOM 1157 CB ALA A 80 11.277 -1.097 6.075 1.00 0.00 C ATOM 0 H ALA A 80 13.027 -0.428 3.896 1.00 0.00 H new ATOM 0 HA ALA A 80 13.262 -1.621 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.854 -1.911 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.288 -0.184 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.669 -0.941 5.184 1.00 0.00 H new ATOM 1163 N ASN A 81 13.152 -3.810 5.345 1.00 0.00 N ATOM 1164 CA ASN A 81 13.169 -5.142 4.755 1.00 0.00 C ATOM 1165 C ASN A 81 13.889 -5.207 3.402 1.00 0.00 C ATOM 1166 O ASN A 81 13.673 -6.158 2.652 1.00 0.00 O ATOM 1167 CB ASN A 81 11.736 -5.713 4.705 1.00 0.00 C ATOM 1168 CG ASN A 81 11.094 -5.774 6.086 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.729 -6.144 7.072 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.843 -5.377 6.224 1.00 0.00 N ATOM 0 H ASN A 81 13.525 -3.811 6.294 1.00 0.00 H new ATOM 0 HA ASN A 81 13.768 -5.781 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.123 -5.096 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.760 -6.713 4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.406 -5.378 7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.313 -5.069 5.409 1.00 0.00 H new ATOM 1177 N GLY A 82 14.808 -4.284 3.099 1.00 0.00 N ATOM 1178 CA GLY A 82 15.553 -4.283 1.841 1.00 0.00 C ATOM 1179 C GLY A 82 14.756 -3.616 0.729 1.00 0.00 C ATOM 1180 O GLY A 82 14.738 -4.102 -0.407 1.00 0.00 O ATOM 0 H GLY A 82 15.055 -3.516 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.500 -3.761 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.792 -5.308 1.556 1.00 0.00 H new ATOM 1184 N ILE A 83 14.069 -2.530 1.081 1.00 0.00 N ATOM 1185 CA ILE A 83 13.251 -1.694 0.223 1.00 0.00 C ATOM 1186 C ILE A 83 13.524 -0.279 0.726 1.00 0.00 C ATOM 1187 O ILE A 83 13.334 -0.019 1.916 1.00 0.00 O ATOM 1188 CB ILE A 83 11.756 -2.071 0.353 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.526 -3.588 0.199 1.00 0.00 C ATOM 1190 CG2 ILE A 83 10.942 -1.289 -0.686 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.064 -4.026 0.245 1.00 0.00 C ATOM 0 H ILE A 83 14.074 -2.193 2.044 1.00 0.00 H new ATOM 0 HA ILE A 83 13.486 -1.807 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 83 11.422 -1.803 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.957 -3.911 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.070 -4.105 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.888 -1.553 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.064 -0.220 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.295 -1.538 -1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.005 -5.108 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.628 -3.740 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.514 -3.543 -0.563 1.00 0.00 H new ATOM 1203 N GLN A 84 13.953 0.636 -0.141 1.00 0.00 N ATOM 1204 CA GLN A 84 14.361 1.978 0.244 1.00 0.00 C ATOM 1205 C GLN A 84 13.246 2.946 -0.140 1.00 0.00 C ATOM 1206 O GLN A 84 12.778 2.956 -1.279 1.00 0.00 O ATOM 1207 CB GLN A 84 15.699 2.312 -0.445 1.00 0.00 C ATOM 1208 CG GLN A 84 16.252 3.721 -0.161 1.00 0.00 C ATOM 1209 CD GLN A 84 16.639 3.949 1.302 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.631 3.431 1.798 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.892 4.759 2.035 1.00 0.00 N ATOM 0 H GLN A 84 14.027 0.460 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 84 14.521 2.058 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.442 1.578 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.572 2.200 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.126 3.892 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.504 4.460 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.064 5.195 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.145 4.947 3.005 1.00 0.00 H new ATOM 1220 N SER A 85 12.847 3.799 0.804 1.00 0.00 N ATOM 1221 CA SER A 85 11.890 4.865 0.556 1.00 0.00 C ATOM 1222 C SER A 85 12.661 6.180 0.460 1.00 0.00 C ATOM 1223 O SER A 85 13.698 6.325 1.117 1.00 0.00 O ATOM 1224 CB SER A 85 10.761 4.880 1.595 1.00 0.00 C ATOM 1225 OG SER A 85 11.210 5.223 2.887 1.00 0.00 O ATOM 0 H SER A 85 13.184 3.765 1.766 1.00 0.00 H new ATOM 0 HA SER A 85 11.375 4.699 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.995 5.589 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.291 3.897 1.628 1.00 0.00 H new ATOM 0 HG SER A 85 11.624 4.441 3.308 1.00 0.00 H new ATOM 1231 N GLN A 86 12.200 7.108 -0.379 1.00 0.00 N ATOM 1232 CA GLN A 86 12.834 8.400 -0.629 1.00 0.00 C ATOM 1233 C GLN A 86 11.812 9.529 -0.435 1.00 0.00 C ATOM 1234 O GLN A 86 10.642 9.351 -0.767 1.00 0.00 O ATOM 1235 CB GLN A 86 13.458 8.378 -2.040 1.00 0.00 C ATOM 1236 CG GLN A 86 12.428 8.323 -3.188 1.00 0.00 C ATOM 1237 CD GLN A 86 12.878 7.461 -4.368 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.479 7.947 -5.319 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.559 6.176 -4.349 1.00 0.00 N ATOM 0 H GLN A 86 11.346 6.975 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 86 13.637 8.589 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.077 9.266 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.119 7.515 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.486 7.934 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.234 9.336 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.059 5.787 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.814 5.576 -5.133 1.00 0.00 H new ATOM 1248 N MET A 87 12.215 10.679 0.107 1.00 0.00 N ATOM 1249 CA MET A 87 11.323 11.831 0.241 1.00 0.00 C ATOM 1250 C MET A 87 10.828 12.341 -1.129 1.00 0.00 C ATOM 1251 O MET A 87 11.373 11.978 -2.172 1.00 0.00 O ATOM 1252 CB MET A 87 12.002 12.918 1.097 1.00 0.00 C ATOM 1253 CG MET A 87 13.194 13.629 0.439 1.00 0.00 C ATOM 1254 SD MET A 87 12.801 14.913 -0.788 1.00 0.00 S ATOM 1255 CE MET A 87 12.048 16.187 0.259 1.00 0.00 C ATOM 0 H MET A 87 13.158 10.837 0.462 1.00 0.00 H new ATOM 0 HA MET A 87 10.419 11.523 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.255 13.667 1.361 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.341 12.464 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.797 14.083 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.816 12.875 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.967 17.118 -0.302 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.055 15.863 0.569 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.669 16.347 1.141 1.00 0.00 H new ATOM 1265 N LEU A 88 9.801 13.205 -1.134 1.00 0.00 N ATOM 1266 CA LEU A 88 9.250 13.846 -2.328 1.00 0.00 C ATOM 1267 C LEU A 88 8.929 15.304 -2.025 1.00 0.00 C ATOM 1268 O LEU A 88 8.862 15.716 -0.863 1.00 0.00 O ATOM 1269 CB LEU A 88 7.947 13.220 -2.836 1.00 0.00 C ATOM 1270 CG LEU A 88 7.884 11.691 -2.859 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.268 11.199 -1.550 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.017 11.285 -4.047 1.00 0.00 C ATOM 0 H LEU A 88 9.320 13.482 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 88 10.016 13.722 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.129 13.585 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.766 13.584 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 88 8.877 11.252 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.219 10.110 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.882 11.529 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.263 11.607 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.950 10.198 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.018 11.705 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.462 11.661 -4.968 1.00 0.00 H new ATOM 1284 N SER A 89 8.586 16.056 -3.068 1.00 0.00 N ATOM 1285 CA SER A 89 8.236 17.456 -2.989 1.00 0.00 C ATOM 1286 C SER A 89 6.722 17.693 -3.089 1.00 0.00 C ATOM 1287 O SER A 89 6.215 17.999 -4.167 1.00 0.00 O ATOM 1288 CB SER A 89 9.029 18.201 -4.067 1.00 0.00 C ATOM 1289 OG SER A 89 8.836 17.588 -5.331 1.00 0.00 O ATOM 0 H SER A 89 8.545 15.688 -4.018 1.00 0.00 H new ATOM 0 HA SER A 89 8.505 17.847 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.711 19.243 -4.108 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.089 18.201 -3.813 1.00 0.00 H new ATOM 0 HG SER A 89 7.877 17.473 -5.496 1.00 0.00 H new ATOM 1295 N ARG A 90 5.998 17.532 -1.974 1.00 0.00 N ATOM 1296 CA ARG A 90 4.568 17.868 -1.880 1.00 0.00 C ATOM 1297 C ARG A 90 3.601 17.096 -2.803 1.00 0.00 C ATOM 1298 O ARG A 90 2.984 17.695 -3.684 1.00 0.00 O ATOM 1299 CB ARG A 90 4.382 19.400 -1.914 1.00 0.00 C ATOM 1300 CG ARG A 90 3.025 19.862 -1.336 1.00 0.00 C ATOM 1301 CD ARG A 90 2.299 20.868 -2.239 1.00 0.00 C ATOM 1302 NE ARG A 90 1.951 20.251 -3.525 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.093 20.685 -4.447 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.521 21.879 -4.357 1.00 0.00 N ATOM 1305 NH2 ARG A 90 0.817 19.889 -5.473 1.00 0.00 N ATOM 0 H ARG A 90 6.388 17.163 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 90 4.249 17.493 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.188 19.870 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.468 19.747 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.386 18.992 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.188 20.313 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.395 21.223 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.934 21.738 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 90 2.429 19.376 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.735 22.489 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.133 22.187 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.258 18.972 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.164 20.195 -6.194 1.00 0.00 H new ATOM 1319 N TRP A 91 3.485 15.774 -2.679 1.00 0.00 N ATOM 1320 CA TRP A 91 2.603 14.993 -3.549 1.00 0.00 C ATOM 1321 C TRP A 91 1.167 15.050 -2.991 1.00 0.00 C ATOM 1322 O TRP A 91 0.885 14.533 -1.904 1.00 0.00 O ATOM 1323 CB TRP A 91 3.116 13.538 -3.626 1.00 0.00 C ATOM 1324 CG TRP A 91 3.318 12.962 -4.995 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.483 12.109 -5.627 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.470 13.106 -5.875 1.00 0.00 C ATOM 1327 NE1 TRP A 91 3.038 11.708 -6.826 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.293 12.250 -7.002 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.665 13.850 -5.812 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.265 12.119 -8.004 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.659 13.710 -6.797 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.463 12.846 -7.890 1.00 0.00 C ATOM 0 H TRP A 91 3.989 15.221 -1.986 1.00 0.00 H new ATOM 0 HA TRP A 91 2.600 15.407 -4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.065 13.484 -3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.412 12.901 -3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.523 11.788 -5.250 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.579 11.090 -7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.820 14.539 -4.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 5.096 11.470 -8.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.579 14.269 -6.714 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.232 12.741 -8.641 1.00 0.00 H new ATOM 1343 N SER A 92 0.214 15.606 -3.750 1.00 0.00 N ATOM 1344 CA SER A 92 -1.208 15.611 -3.377 1.00 0.00 C ATOM 1345 C SER A 92 -1.869 14.252 -3.667 1.00 0.00 C ATOM 1346 O SER A 92 -3.043 14.181 -4.035 1.00 0.00 O ATOM 1347 CB SER A 92 -1.949 16.700 -4.158 1.00 0.00 C ATOM 1348 OG SER A 92 -1.397 17.989 -3.953 1.00 0.00 O ATOM 0 H SER A 92 0.406 16.065 -4.640 1.00 0.00 H new ATOM 0 HA SER A 92 -1.268 15.808 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.921 16.462 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.997 16.706 -3.860 1.00 0.00 H new ATOM 0 HG SER A 92 -1.903 18.648 -4.473 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.120 13.161 -3.519 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.558 11.799 -3.726 1.00 0.00 C ATOM 1356 C ALA A 93 -0.632 10.921 -2.892 1.00 0.00 C ATOM 1357 O ALA A 93 0.476 10.594 -3.325 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.520 11.464 -5.221 1.00 0.00 C ATOM 0 H ALA A 93 -0.141 13.216 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.589 11.636 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.851 10.437 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.180 12.141 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.502 11.576 -5.593 1.00 0.00 H new ATOM 1364 N SER A 94 -1.054 10.599 -1.672 1.00 0.00 N ATOM 1365 CA SER A 94 -0.329 9.722 -0.763 1.00 0.00 C ATOM 1366 C SER A 94 -1.300 8.703 -0.160 1.00 0.00 C ATOM 1367 O SER A 94 -2.520 8.828 -0.316 1.00 0.00 O ATOM 1368 CB SER A 94 0.387 10.557 0.312 1.00 0.00 C ATOM 1369 OG SER A 94 1.163 11.603 -0.262 1.00 0.00 O ATOM 0 H SER A 94 -1.929 10.949 -1.281 1.00 0.00 H new ATOM 0 HA SER A 94 0.439 9.169 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.350 10.983 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.032 9.909 0.906 1.00 0.00 H new ATOM 0 HG SER A 94 0.567 12.278 -0.649 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.774 7.675 0.498 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.554 6.651 1.166 1.00 0.00 C ATOM 1377 C PHE A 95 -0.740 6.025 2.285 1.00 0.00 C ATOM 1378 O PHE A 95 0.432 6.350 2.459 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.996 5.582 0.140 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.895 4.693 -0.442 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.105 5.142 -1.519 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.683 3.392 0.063 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.886 4.311 -2.076 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.283 2.549 -0.519 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.066 3.003 -1.594 1.00 0.00 C ATOM 0 H PHE A 95 0.232 7.532 0.581 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.445 7.100 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.737 4.939 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.496 6.089 -0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.261 6.132 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.266 3.041 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.510 4.680 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.423 1.548 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.800 2.352 -2.046 1.00 0.00 H new ATOM 1395 N THR A 96 -1.380 5.146 3.046 1.00 0.00 N ATOM 1396 CA THR A 96 -0.781 4.325 4.080 1.00 0.00 C ATOM 1397 C THR A 96 -1.354 2.939 3.820 1.00 0.00 C ATOM 1398 O THR A 96 -2.513 2.792 3.413 1.00 0.00 O ATOM 1399 CB THR A 96 -1.056 4.877 5.491 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.483 4.074 6.512 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.550 5.033 5.790 1.00 0.00 C ATOM 0 H THR A 96 -2.382 4.981 2.950 1.00 0.00 H new ATOM 0 HA THR A 96 0.308 4.309 4.044 1.00 0.00 H new ATOM 0 HB THR A 96 -0.586 5.860 5.493 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.683 4.466 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.680 5.426 6.798 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.995 5.722 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.040 4.062 5.713 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.521 1.920 3.975 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.933 0.545 3.784 1.00 0.00 C ATOM 1411 C VAL A 97 -1.043 -0.148 5.148 1.00 0.00 C ATOM 1412 O VAL A 97 -0.435 0.300 6.123 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.042 -0.045 2.685 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.384 -0.371 3.107 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.688 -1.262 2.059 1.00 0.00 C ATOM 0 H VAL A 97 0.459 2.028 4.237 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.942 0.402 3.397 1.00 0.00 H new ATOM 0 HB VAL A 97 0.048 0.756 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.930 -0.782 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.879 0.538 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.366 -1.102 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.036 -1.661 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.850 -2.022 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.645 -0.980 1.619 1.00 0.00 H new ATOM 1425 N THR A 98 -1.838 -1.211 5.227 1.00 0.00 N ATOM 1426 CA THR A 98 -2.194 -1.943 6.436 1.00 0.00 C ATOM 1427 C THR A 98 -2.500 -3.407 6.084 1.00 0.00 C ATOM 1428 O THR A 98 -2.474 -3.780 4.906 1.00 0.00 O ATOM 1429 CB THR A 98 -3.444 -1.289 7.063 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.468 -1.159 6.098 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.198 0.092 7.679 1.00 0.00 C ATOM 0 H THR A 98 -2.277 -1.608 4.396 1.00 0.00 H new ATOM 0 HA THR A 98 -1.365 -1.914 7.143 1.00 0.00 H new ATOM 0 HB THR A 98 -3.733 -1.960 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.007 -0.366 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.129 0.476 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.453 0.010 8.471 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.836 0.774 6.910 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.772 -4.219 7.111 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.218 -5.606 7.000 1.00 0.00 C ATOM 1441 C LEU A 99 -4.677 -5.649 6.559 1.00 0.00 C ATOM 1442 O LEU A 99 -5.394 -4.658 6.690 1.00 0.00 O ATOM 1443 CB LEU A 99 -3.064 -6.306 8.359 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.624 -6.778 8.618 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.452 -7.150 10.089 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.296 -8.004 7.759 1.00 0.00 C ATOM 0 H LEU A 99 -2.683 -3.913 8.080 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.608 -6.121 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.367 -5.623 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.737 -7.162 8.401 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.949 -5.963 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.429 -7.483 10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.661 -6.280 10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.143 -7.953 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.273 -8.323 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.983 -8.814 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.399 -7.748 6.705 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.100 -6.806 6.050 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.466 -7.131 5.660 1.00 0.00 C ATOM 1460 C GLU A 100 -7.153 -7.872 6.800 1.00 0.00 C ATOM 1461 O GLU A 100 -8.287 -7.512 7.181 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.406 -7.970 4.378 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.772 -8.407 3.828 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.683 -7.247 3.409 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.275 -6.402 2.585 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -9.851 -7.212 3.869 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.559 -8.843 7.317 1.00 0.00 O ATOM 0 H GLU A 100 -4.460 -7.584 5.891 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.049 -6.232 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.888 -7.397 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.806 -8.860 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.613 -9.058 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.283 -9.000 4.586 1.00 0.00 H new