USER MOD reduce.3.24.130724 H: found=0, std=0, add=1188, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1188 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 8 MET CE :methyl -117:sc= -0.0298 (180deg=-1.23) USER MOD Set 1.2: B 82 THR OG1 : rot 68:sc= 1.17 USER MOD Set 2.1: B 29 SER OG : rot 180:sc= 0.00512 USER MOD Set 2.2: B 31 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.195) USER MOD Set 3.1: A 82 THR OG1 : rot 71:sc= 1.26 USER MOD Set 3.2: B 8 MET CE :methyl -127:sc= -0.0132 (180deg=-3.64!) USER MOD Single : A 2 SER OG : rot 25:sc= 0.489 USER MOD Single : A 6 THR OG1 : rot 14:sc= 0.416 USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 13 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.46) USER MOD Single : A 16 HIS : no HE2:sc= 0.58 K(o=0.58,f=-2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.359 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -104:sc= -0.701 (180deg=-2.97!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.12) USER MOD Single : A 31 LYS NZ :NH3+ -106:sc= 1.09 (180deg=-1.77!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 42 SER OG : rot 86:sc= 1.07 USER MOD Single : A 48 GLN : amide:sc= 0.642 K(o=0.64,f=-3.6!) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0.821 (180deg=0.414) USER MOD Single : A 56 LYS NZ :NH3+ -132:sc= 0.103 (180deg=-1.96!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= 0.845 (180deg=0.211) USER MOD Single : A 64 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 74 TYR OH : rot 148:sc= 0.0139 USER MOD Single : B 2 SER OG : rot 29:sc= 0.34 USER MOD Single : B 6 THR OG1 : rot 14:sc= 0.337 USER MOD Single : B 10 THR OG1 : rot 70:sc= 1.08 USER MOD Single : B 13 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.37) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 HIS : no HE2:sc= 0.536 K(o=0.54,f=-1.7!) USER MOD Single : B 19 SER OG : rot 63:sc= 1.09 USER MOD Single : B 27 LYS NZ :NH3+ 166:sc= 0.592 (180deg=0.308) USER MOD Single : B 30 LYS NZ :NH3+ -175:sc= 0.797 (180deg=0.788) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 GLN :FLIP amide:sc= -0.0467 F(o=-1.6!,f=-0.047) USER MOD Single : B 39 THR OG1 : rot 71:sc= 1.24 USER MOD Single : B 42 SER OG : rot 94:sc= 1.05 USER MOD Single : B 48 GLN : amide:sc= 0.729 K(o=0.73,f=-2.9!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 MET CE :methyl -176:sc= -0.0258 (180deg=-0.0438) USER MOD Single : B 59 LYS NZ :NH3+ 155:sc= 0.86 (180deg=0.511) USER MOD Single : B 64 ASN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 74 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 13.675 4.595 8.296 1.00 25.00 N ATOM 11 CA SER A 2 13.864 6.051 8.310 1.00 25.00 C ATOM 12 C SER A 2 12.521 6.773 8.125 1.00 25.00 C ATOM 13 O SER A 2 11.489 6.122 7.928 1.00 25.00 O ATOM 14 CB SER A 2 14.811 6.435 7.178 1.00 25.00 C ATOM 15 OG SER A 2 15.868 5.495 7.092 1.00 25.00 O ATOM 0 HA SER A 2 14.285 6.348 9.271 1.00 25.00 H new ATOM 0 HB2 SER A 2 14.267 6.471 6.234 1.00 25.00 H new ATOM 0 HB3 SER A 2 15.214 7.433 7.352 1.00 25.00 H new ATOM 0 HG SER A 2 15.575 4.638 7.465 1.00 25.00 H new ATOM 21 N GLU A 3 12.518 8.099 8.170 1.00 25.00 N ATOM 22 CA GLU A 3 11.272 8.866 8.048 1.00 25.00 C ATOM 23 C GLU A 3 10.608 8.608 6.692 1.00 25.00 C ATOM 24 O GLU A 3 9.411 8.338 6.609 1.00 25.00 O ATOM 25 CB GLU A 3 11.553 10.367 8.221 1.00 25.00 C ATOM 26 CG GLU A 3 10.302 11.200 8.427 1.00 25.00 C ATOM 27 CD GLU A 3 10.598 12.695 8.536 1.00 25.00 C ATOM 28 OE1 GLU A 3 11.296 13.099 9.491 1.00 25.00 O ATOM 29 OE2 GLU A 3 10.103 13.471 7.684 1.00 25.00 O ATOM 0 H GLU A 3 13.356 8.669 8.289 1.00 25.00 H new ATOM 0 HA GLU A 3 10.591 8.540 8.834 1.00 25.00 H new ATOM 0 HB2 GLU A 3 12.217 10.508 9.074 1.00 25.00 H new ATOM 0 HB3 GLU A 3 12.082 10.733 7.341 1.00 25.00 H new ATOM 0 HG2 GLU A 3 9.617 11.029 7.597 1.00 25.00 H new ATOM 0 HG3 GLU A 3 9.795 10.868 9.333 1.00 25.00 H new ATOM 36 N LEU A 4 11.396 8.629 5.629 1.00 25.00 N ATOM 37 CA LEU A 4 10.878 8.366 4.291 1.00 25.00 C ATOM 38 C LEU A 4 10.411 6.913 4.182 1.00 25.00 C ATOM 39 O LEU A 4 9.380 6.615 3.598 1.00 25.00 O ATOM 40 CB LEU A 4 11.977 8.645 3.261 1.00 25.00 C ATOM 41 CG LEU A 4 11.557 8.992 1.823 1.00 25.00 C ATOM 42 CD1 LEU A 4 12.826 9.227 0.987 1.00 25.00 C ATOM 43 CD2 LEU A 4 10.741 7.930 1.155 1.00 25.00 C ATOM 0 H LEU A 4 12.396 8.825 5.664 1.00 25.00 H new ATOM 0 HA LEU A 4 10.026 9.018 4.098 1.00 25.00 H new ATOM 0 HB2 LEU A 4 12.585 9.468 3.638 1.00 25.00 H new ATOM 0 HB3 LEU A 4 12.622 7.767 3.216 1.00 25.00 H new ATOM 0 HG LEU A 4 10.929 9.881 1.885 1.00 25.00 H new ATOM 0 HD11 LEU A 4 12.546 9.475 -0.037 1.00 25.00 H new ATOM 0 HD12 LEU A 4 13.397 10.050 1.416 1.00 25.00 H new ATOM 0 HD13 LEU A 4 13.435 8.323 0.988 1.00 25.00 H new ATOM 0 HD21 LEU A 4 10.485 8.250 0.145 1.00 25.00 H new ATOM 0 HD22 LEU A 4 11.316 7.005 1.108 1.00 25.00 H new ATOM 0 HD23 LEU A 4 9.827 7.761 1.725 1.00 25.00 H new ATOM 55 N GLU A 5 11.175 5.998 4.746 1.00 25.00 N ATOM 56 CA GLU A 5 10.841 4.579 4.647 1.00 25.00 C ATOM 57 C GLU A 5 9.529 4.266 5.357 1.00 25.00 C ATOM 58 O GLU A 5 8.744 3.458 4.868 1.00 25.00 O ATOM 59 CB GLU A 5 11.963 3.741 5.238 1.00 25.00 C ATOM 60 CG GLU A 5 13.233 3.798 4.411 1.00 25.00 C ATOM 61 CD GLU A 5 14.443 3.330 5.187 1.00 25.00 C ATOM 62 OE1 GLU A 5 14.279 2.599 6.185 1.00 25.00 O ATOM 63 OE2 GLU A 5 15.567 3.727 4.827 1.00 25.00 O ATOM 0 H GLU A 5 12.024 6.202 5.274 1.00 25.00 H new ATOM 0 HA GLU A 5 10.720 4.334 3.592 1.00 25.00 H new ATOM 0 HB2 GLU A 5 12.177 4.088 6.249 1.00 25.00 H new ATOM 0 HB3 GLU A 5 11.633 2.705 5.320 1.00 25.00 H new ATOM 0 HG2 GLU A 5 13.113 3.180 3.521 1.00 25.00 H new ATOM 0 HG3 GLU A 5 13.396 4.820 4.069 1.00 25.00 H new ATOM 70 N THR A 6 9.262 4.923 6.475 1.00 25.00 N ATOM 71 CA THR A 6 7.994 4.716 7.176 1.00 25.00 C ATOM 72 C THR A 6 6.865 5.423 6.442 1.00 25.00 C ATOM 73 O THR A 6 5.728 4.948 6.433 1.00 25.00 O ATOM 74 CB THR A 6 8.036 5.190 8.641 1.00 25.00 C ATOM 75 OG1 THR A 6 8.597 6.498 8.719 1.00 25.00 O ATOM 76 CG2 THR A 6 8.886 4.266 9.467 1.00 25.00 C ATOM 0 H THR A 6 9.891 5.594 6.915 1.00 25.00 H new ATOM 0 HA THR A 6 7.816 3.641 7.188 1.00 25.00 H new ATOM 0 HB THR A 6 7.014 5.195 9.021 1.00 25.00 H new ATOM 0 HG1 THR A 6 8.623 6.897 7.824 1.00 25.00 H new ATOM 0 HG21 THR A 6 8.905 4.615 10.499 1.00 25.00 H new ATOM 0 HG22 THR A 6 8.469 3.259 9.432 1.00 25.00 H new ATOM 0 HG23 THR A 6 9.901 4.253 9.070 1.00 25.00 H new ATOM 84 N ALA A 7 7.177 6.502 5.744 1.00 25.00 N ATOM 85 CA ALA A 7 6.184 7.146 4.900 1.00 25.00 C ATOM 86 C ALA A 7 5.766 6.145 3.814 1.00 25.00 C ATOM 87 O ALA A 7 4.591 5.980 3.526 1.00 25.00 O ATOM 88 CB ALA A 7 6.758 8.416 4.282 1.00 25.00 C ATOM 0 H ALA A 7 8.096 6.945 5.744 1.00 25.00 H new ATOM 0 HA ALA A 7 5.314 7.436 5.489 1.00 25.00 H new ATOM 0 HB1 ALA A 7 6.003 8.888 3.653 1.00 25.00 H new ATOM 0 HB2 ALA A 7 7.052 9.105 5.074 1.00 25.00 H new ATOM 0 HB3 ALA A 7 7.629 8.165 3.677 1.00 25.00 H new ATOM 94 N MET A 8 6.732 5.443 3.241 1.00 25.00 N ATOM 95 CA MET A 8 6.433 4.469 2.192 1.00 25.00 C ATOM 96 C MET A 8 5.762 3.201 2.706 1.00 25.00 C ATOM 97 O MET A 8 4.928 2.627 2.009 1.00 25.00 O ATOM 98 CB MET A 8 7.693 4.082 1.425 1.00 25.00 C ATOM 99 CG MET A 8 8.309 5.240 0.653 1.00 25.00 C ATOM 100 SD MET A 8 7.104 6.135 -0.374 1.00 25.00 S ATOM 101 CE MET A 8 6.728 4.942 -1.651 1.00 25.00 C ATOM 0 H MET A 8 7.721 5.525 3.478 1.00 25.00 H new ATOM 0 HA MET A 8 5.726 4.972 1.532 1.00 25.00 H new ATOM 0 HB2 MET A 8 8.430 3.689 2.126 1.00 25.00 H new ATOM 0 HB3 MET A 8 7.454 3.278 0.730 1.00 25.00 H new ATOM 0 HG2 MET A 8 8.765 5.936 1.357 1.00 25.00 H new ATOM 0 HG3 MET A 8 9.108 4.860 0.017 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.039 5.335 -2.619 1.00 25.00 H new ATOM 0 HE2 MET A 8 7.260 4.012 -1.448 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.655 4.750 -1.665 1.00 25.00 H new ATOM 111 N GLU A 9 6.093 2.753 3.912 1.00 25.00 N ATOM 112 CA GLU A 9 5.451 1.546 4.445 1.00 25.00 C ATOM 113 C GLU A 9 3.971 1.848 4.709 1.00 25.00 C ATOM 114 O GLU A 9 3.111 0.986 4.533 1.00 25.00 O ATOM 115 CB GLU A 9 6.209 0.983 5.675 1.00 25.00 C ATOM 116 CG GLU A 9 5.873 1.575 7.034 1.00 25.00 C ATOM 117 CD GLU A 9 6.847 1.098 8.123 1.00 25.00 C ATOM 118 OE1 GLU A 9 8.091 1.235 7.942 1.00 25.00 O ATOM 119 OE2 GLU A 9 6.379 0.597 9.161 1.00 25.00 O ATOM 0 H GLU A 9 6.780 3.188 4.527 1.00 25.00 H new ATOM 0 HA GLU A 9 5.498 0.744 3.709 1.00 25.00 H new ATOM 0 HB2 GLU A 9 6.027 -0.091 5.721 1.00 25.00 H new ATOM 0 HB3 GLU A 9 7.277 1.118 5.503 1.00 25.00 H new ATOM 0 HG2 GLU A 9 5.901 2.663 6.973 1.00 25.00 H new ATOM 0 HG3 GLU A 9 4.856 1.297 7.310 1.00 25.00 H new ATOM 126 N THR A 10 3.666 3.111 4.990 1.00 25.00 N ATOM 127 CA THR A 10 2.285 3.565 5.122 1.00 25.00 C ATOM 128 C THR A 10 1.529 3.434 3.795 1.00 25.00 C ATOM 129 O THR A 10 0.395 2.958 3.761 1.00 25.00 O ATOM 130 CB THR A 10 2.232 5.041 5.577 1.00 25.00 C ATOM 131 OG1 THR A 10 2.994 5.194 6.779 1.00 25.00 O ATOM 132 CG2 THR A 10 0.831 5.486 5.861 1.00 25.00 C ATOM 0 H THR A 10 4.362 3.843 5.132 1.00 25.00 H new ATOM 0 HA THR A 10 1.811 2.932 5.872 1.00 25.00 H new ATOM 0 HB THR A 10 2.638 5.648 4.768 1.00 25.00 H new ATOM 0 HG1 THR A 10 3.950 5.140 6.569 1.00 25.00 H new ATOM 0 HG21 THR A 10 0.838 6.529 6.178 1.00 25.00 H new ATOM 0 HG22 THR A 10 0.227 5.385 4.959 1.00 25.00 H new ATOM 0 HG23 THR A 10 0.407 4.869 6.653 1.00 25.00 H new ATOM 140 N LEU A 11 2.164 3.811 2.689 1.00 25.00 N ATOM 141 CA LEU A 11 1.517 3.705 1.369 1.00 25.00 C ATOM 142 C LEU A 11 1.177 2.246 1.086 1.00 25.00 C ATOM 143 O LEU A 11 0.131 1.952 0.510 1.00 25.00 O ATOM 144 CB LEU A 11 2.418 4.239 0.232 1.00 25.00 C ATOM 145 CG LEU A 11 2.385 5.725 -0.165 1.00 25.00 C ATOM 146 CD1 LEU A 11 1.035 6.144 -0.713 1.00 25.00 C ATOM 147 CD2 LEU A 11 2.734 6.581 0.968 1.00 25.00 C ATOM 0 H LEU A 11 3.112 4.188 2.671 1.00 25.00 H new ATOM 0 HA LEU A 11 0.614 4.315 1.398 1.00 25.00 H new ATOM 0 HB2 LEU A 11 3.447 4.002 0.500 1.00 25.00 H new ATOM 0 HB3 LEU A 11 2.181 3.663 -0.662 1.00 25.00 H new ATOM 0 HG LEU A 11 3.126 5.847 -0.955 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.062 7.201 -0.979 1.00 25.00 H new ATOM 0 HD12 LEU A 11 0.803 5.553 -1.599 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.268 5.980 0.044 1.00 25.00 H new ATOM 0 HD21 LEU A 11 2.703 7.626 0.658 1.00 25.00 H new ATOM 0 HD22 LEU A 11 2.022 6.421 1.778 1.00 25.00 H new ATOM 0 HD23 LEU A 11 3.738 6.335 1.314 1.00 25.00 H new ATOM 159 N ILE A 12 2.057 1.333 1.490 1.00 25.00 N ATOM 160 CA ILE A 12 1.827 -0.097 1.268 1.00 25.00 C ATOM 161 C ILE A 12 0.607 -0.543 2.067 1.00 25.00 C ATOM 162 O ILE A 12 -0.257 -1.235 1.527 1.00 25.00 O ATOM 163 CB ILE A 12 3.071 -0.972 1.667 1.00 25.00 C ATOM 164 CG1 ILE A 12 4.275 -0.602 0.779 1.00 25.00 C ATOM 165 CG2 ILE A 12 2.744 -2.492 1.507 1.00 25.00 C ATOM 166 CD1 ILE A 12 5.601 -1.263 1.167 1.00 25.00 C ATOM 0 H ILE A 12 2.930 1.553 1.969 1.00 25.00 H new ATOM 0 HA ILE A 12 1.657 -0.243 0.201 1.00 25.00 H new ATOM 0 HB ILE A 12 3.316 -0.775 2.711 1.00 25.00 H new ATOM 0 HG12 ILE A 12 4.042 -0.870 -0.251 1.00 25.00 H new ATOM 0 HG13 ILE A 12 4.406 0.480 0.805 1.00 25.00 H new ATOM 0 HG21 ILE A 12 3.616 -3.083 1.787 1.00 25.00 H new ATOM 0 HG22 ILE A 12 1.905 -2.754 2.152 1.00 25.00 H new ATOM 0 HG23 ILE A 12 2.482 -2.701 0.470 1.00 25.00 H new ATOM 0 HD11 ILE A 12 6.384 -0.938 0.482 1.00 25.00 H new ATOM 0 HD12 ILE A 12 5.867 -0.976 2.184 1.00 25.00 H new ATOM 0 HD13 ILE A 12 5.497 -2.347 1.112 1.00 25.00 H new ATOM 178 N ASN A 13 0.527 -0.145 3.333 1.00 25.00 N ATOM 179 CA ASN A 13 -0.596 -0.545 4.182 1.00 25.00 C ATOM 180 C ASN A 13 -1.930 -0.108 3.604 1.00 25.00 C ATOM 181 O ASN A 13 -2.862 -0.891 3.517 1.00 25.00 O ATOM 182 CB ASN A 13 -0.453 0.063 5.573 1.00 25.00 C ATOM 183 CG ASN A 13 0.748 -0.441 6.320 1.00 25.00 C ATOM 184 OD1 ASN A 13 1.087 -1.597 6.247 1.00 25.00 O ATOM 185 ND2 ASN A 13 1.384 0.450 7.047 1.00 25.00 N ATOM 0 H ASN A 13 1.218 0.448 3.793 1.00 25.00 H new ATOM 0 HA ASN A 13 -0.576 -1.633 4.237 1.00 25.00 H new ATOM 0 HB2 ASN A 13 -0.388 1.147 5.483 1.00 25.00 H new ATOM 0 HB3 ASN A 13 -1.350 -0.156 6.152 1.00 25.00 H new ATOM 0 HD21 ASN A 13 2.207 0.176 7.585 1.00 25.00 H new ATOM 0 HD22 ASN A 13 1.055 1.415 7.074 1.00 25.00 H new ATOM 192 N VAL A 14 -1.989 1.143 3.128 1.00 25.00 N ATOM 193 CA VAL A 14 -3.210 1.688 2.557 1.00 25.00 C ATOM 194 C VAL A 14 -3.572 0.982 1.251 1.00 25.00 C ATOM 195 O VAL A 14 -4.729 0.639 1.028 1.00 25.00 O ATOM 196 CB VAL A 14 -3.070 3.209 2.333 1.00 25.00 C ATOM 197 CG1 VAL A 14 -4.307 3.754 1.622 1.00 25.00 C ATOM 198 CG2 VAL A 14 -2.868 3.948 3.663 1.00 25.00 C ATOM 0 H VAL A 14 -1.201 1.790 3.131 1.00 25.00 H new ATOM 0 HA VAL A 14 -4.020 1.515 3.266 1.00 25.00 H new ATOM 0 HB VAL A 14 -2.192 3.377 1.709 1.00 25.00 H new ATOM 0 HG11 VAL A 14 -4.196 4.828 1.470 1.00 25.00 H new ATOM 0 HG12 VAL A 14 -4.419 3.260 0.657 1.00 25.00 H new ATOM 0 HG13 VAL A 14 -5.190 3.563 2.231 1.00 25.00 H new ATOM 0 HG21 VAL A 14 -2.772 5.017 3.474 1.00 25.00 H new ATOM 0 HG22 VAL A 14 -3.725 3.769 4.312 1.00 25.00 H new ATOM 0 HG23 VAL A 14 -1.963 3.583 4.148 1.00 25.00 H new ATOM 208 N PHE A 15 -2.595 0.742 0.385 1.00 25.00 N ATOM 209 CA PHE A 15 -2.865 0.021 -0.862 1.00 25.00 C ATOM 210 C PHE A 15 -3.414 -1.377 -0.553 1.00 25.00 C ATOM 211 O PHE A 15 -4.373 -1.840 -1.177 1.00 25.00 O ATOM 212 CB PHE A 15 -1.579 -0.117 -1.671 1.00 25.00 C ATOM 213 CG PHE A 15 -1.754 -0.889 -2.946 1.00 25.00 C ATOM 214 CD1 PHE A 15 -2.277 -0.267 -4.094 1.00 25.00 C ATOM 215 CD2 PHE A 15 -1.396 -2.247 -3.010 1.00 25.00 C ATOM 216 CE1 PHE A 15 -2.430 -0.990 -5.305 1.00 25.00 C ATOM 217 CE2 PHE A 15 -1.557 -2.981 -4.206 1.00 25.00 C ATOM 218 CZ PHE A 15 -2.068 -2.350 -5.359 1.00 25.00 C ATOM 0 H PHE A 15 -1.625 1.028 0.515 1.00 25.00 H new ATOM 0 HA PHE A 15 -3.602 0.583 -1.437 1.00 25.00 H new ATOM 0 HB2 PHE A 15 -1.199 0.877 -1.907 1.00 25.00 H new ATOM 0 HB3 PHE A 15 -0.824 -0.610 -1.058 1.00 25.00 H new ATOM 0 HD1 PHE A 15 -2.565 0.773 -4.053 1.00 25.00 H new ATOM 0 HD2 PHE A 15 -0.993 -2.735 -2.135 1.00 25.00 H new ATOM 0 HE1 PHE A 15 -2.823 -0.499 -6.183 1.00 25.00 H new ATOM 0 HE2 PHE A 15 -1.288 -4.027 -4.237 1.00 25.00 H new ATOM 0 HZ PHE A 15 -2.181 -2.906 -6.278 1.00 25.00 H new ATOM 228 N HIS A 16 -2.803 -2.045 0.417 1.00 25.00 N ATOM 229 CA HIS A 16 -3.177 -3.413 0.767 1.00 25.00 C ATOM 230 C HIS A 16 -4.565 -3.495 1.421 1.00 25.00 C ATOM 231 O HIS A 16 -5.186 -4.555 1.437 1.00 25.00 O ATOM 232 CB HIS A 16 -2.124 -4.022 1.702 1.00 25.00 C ATOM 233 CG HIS A 16 -1.970 -5.505 1.549 1.00 25.00 C ATOM 234 ND1 HIS A 16 -3.011 -6.387 1.421 1.00 25.00 N ATOM 235 CD2 HIS A 16 -0.849 -6.277 1.491 1.00 25.00 C ATOM 236 CE1 HIS A 16 -2.514 -7.612 1.295 1.00 25.00 C ATOM 237 NE2 HIS A 16 -1.197 -7.609 1.338 1.00 25.00 N ATOM 0 H HIS A 16 -2.043 -1.661 0.979 1.00 25.00 H new ATOM 0 HA HIS A 16 -3.223 -3.981 -0.162 1.00 25.00 H new ATOM 0 HB2 HIS A 16 -1.163 -3.544 1.513 1.00 25.00 H new ATOM 0 HB3 HIS A 16 -2.394 -3.798 2.734 1.00 25.00 H new ATOM 0 HD1 HIS A 16 -4.001 -6.143 1.422 1.00 25.00 H new ATOM 0 HD2 HIS A 16 0.163 -5.905 1.555 1.00 25.00 H new ATOM 0 HE1 HIS A 16 -3.115 -8.501 1.172 1.00 25.00 H new ATOM 245 N ALA A 17 -5.061 -2.379 1.936 1.00 25.00 N ATOM 246 CA ALA A 17 -6.383 -2.358 2.563 1.00 25.00 C ATOM 247 C ALA A 17 -7.499 -2.594 1.531 1.00 25.00 C ATOM 248 O ALA A 17 -8.555 -3.127 1.862 1.00 25.00 O ATOM 249 CB ALA A 17 -6.597 -1.019 3.285 1.00 25.00 C ATOM 0 H ALA A 17 -4.576 -1.482 1.935 1.00 25.00 H new ATOM 0 HA ALA A 17 -6.428 -3.170 3.289 1.00 25.00 H new ATOM 0 HB1 ALA A 17 -7.583 -1.010 3.750 1.00 25.00 H new ATOM 0 HB2 ALA A 17 -5.833 -0.893 4.052 1.00 25.00 H new ATOM 0 HB3 ALA A 17 -6.527 -0.203 2.566 1.00 25.00 H new ATOM 255 N HIS A 18 -7.259 -2.182 0.291 1.00 25.00 N ATOM 256 CA HIS A 18 -8.258 -2.313 -0.775 1.00 25.00 C ATOM 257 C HIS A 18 -7.884 -3.375 -1.814 1.00 25.00 C ATOM 258 O HIS A 18 -8.695 -3.716 -2.680 1.00 25.00 O ATOM 259 CB HIS A 18 -8.415 -0.969 -1.489 1.00 25.00 C ATOM 260 CG HIS A 18 -8.909 0.133 -0.603 1.00 25.00 C ATOM 261 ND1 HIS A 18 -10.213 0.570 -0.560 1.00 25.00 N ATOM 262 CD2 HIS A 18 -8.246 0.923 0.288 1.00 25.00 C ATOM 263 CE1 HIS A 18 -10.288 1.567 0.316 1.00 25.00 C ATOM 264 NE2 HIS A 18 -9.117 1.825 0.862 1.00 25.00 N ATOM 0 H HIS A 18 -6.382 -1.754 -0.006 1.00 25.00 H new ATOM 0 HA HIS A 18 -9.189 -2.624 -0.302 1.00 25.00 H new ATOM 0 HB2 HIS A 18 -7.453 -0.679 -1.912 1.00 25.00 H new ATOM 0 HB3 HIS A 18 -9.107 -1.090 -2.323 1.00 25.00 H new ATOM 0 HD2 HIS A 18 -7.192 0.853 0.512 1.00 25.00 H new ATOM 0 HE1 HIS A 18 -11.197 2.100 0.551 1.00 25.00 H new ATOM 0 HE2 HIS A 18 -8.901 2.538 1.559 1.00 25.00 H new ATOM 272 N SER A 19 -6.650 -3.859 -1.765 1.00 25.00 N ATOM 273 CA SER A 19 -6.154 -4.811 -2.758 1.00 25.00 C ATOM 274 C SER A 19 -6.867 -6.160 -2.664 1.00 25.00 C ATOM 275 O SER A 19 -7.544 -6.459 -1.685 1.00 25.00 O ATOM 276 CB SER A 19 -4.651 -5.025 -2.580 1.00 25.00 C ATOM 277 OG SER A 19 -4.385 -5.666 -1.350 1.00 25.00 O ATOM 0 H SER A 19 -5.970 -3.609 -1.047 1.00 25.00 H new ATOM 0 HA SER A 19 -6.358 -4.385 -3.740 1.00 25.00 H new ATOM 0 HB2 SER A 19 -4.264 -5.627 -3.402 1.00 25.00 H new ATOM 0 HB3 SER A 19 -4.134 -4.066 -2.616 1.00 25.00 H new ATOM 0 HG SER A 19 -3.419 -5.797 -1.252 1.00 25.00 H new ATOM 368 N TYR A 26 -1.399 -8.452 -3.642 1.00 25.00 N ATOM 369 CA TYR A 26 -0.569 -7.265 -3.869 1.00 25.00 C ATOM 370 C TYR A 26 -1.041 -6.500 -5.092 1.00 25.00 C ATOM 371 O TYR A 26 -0.303 -5.683 -5.642 1.00 25.00 O ATOM 372 CB TYR A 26 0.910 -7.663 -4.077 1.00 25.00 C ATOM 373 CG TYR A 26 1.552 -8.411 -2.912 1.00 25.00 C ATOM 374 CD1 TYR A 26 1.087 -8.245 -1.591 1.00 25.00 C ATOM 375 CD2 TYR A 26 2.590 -9.331 -3.137 1.00 25.00 C ATOM 376 CE1 TYR A 26 1.690 -8.946 -0.511 1.00 25.00 C ATOM 377 CE2 TYR A 26 3.144 -10.072 -2.082 1.00 25.00 C ATOM 378 CZ TYR A 26 2.700 -9.855 -0.768 1.00 25.00 C ATOM 379 OH TYR A 26 3.259 -10.563 0.275 1.00 25.00 O ATOM 0 HA TYR A 26 -0.659 -6.632 -2.986 1.00 25.00 H new ATOM 0 HB2 TYR A 26 0.980 -8.285 -4.970 1.00 25.00 H new ATOM 0 HB3 TYR A 26 1.489 -6.760 -4.271 1.00 25.00 H new ATOM 0 HD1 TYR A 26 0.261 -7.576 -1.397 1.00 25.00 H new ATOM 0 HD2 TYR A 26 2.968 -9.470 -4.139 1.00 25.00 H new ATOM 0 HE1 TYR A 26 1.362 -8.770 0.503 1.00 25.00 H new ATOM 0 HE2 TYR A 26 3.910 -10.807 -2.280 1.00 25.00 H new ATOM 0 HH TYR A 26 3.954 -11.161 -0.071 1.00 25.00 H new ATOM 389 N LYS A 27 -2.249 -6.795 -5.552 1.00 25.00 N ATOM 390 CA LYS A 27 -2.759 -6.205 -6.784 1.00 25.00 C ATOM 391 C LYS A 27 -4.147 -5.617 -6.616 1.00 25.00 C ATOM 392 O LYS A 27 -4.967 -6.132 -5.849 1.00 25.00 O ATOM 393 CB LYS A 27 -2.791 -7.277 -7.868 1.00 25.00 C ATOM 394 CG LYS A 27 -1.449 -8.006 -8.124 1.00 25.00 C ATOM 395 CD LYS A 27 -0.334 -7.099 -8.693 1.00 25.00 C ATOM 396 CE LYS A 27 -0.338 -7.052 -10.226 1.00 25.00 C ATOM 397 NZ LYS A 27 -1.486 -6.290 -10.786 1.00 25.00 N ATOM 0 H LYS A 27 -2.894 -7.438 -5.092 1.00 25.00 H new ATOM 0 HA LYS A 27 -2.093 -5.388 -7.062 1.00 25.00 H new ATOM 0 HB2 LYS A 27 -3.542 -8.019 -7.598 1.00 25.00 H new ATOM 0 HB3 LYS A 27 -3.118 -6.817 -8.800 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -1.103 -8.445 -7.188 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.622 -8.829 -8.818 1.00 25.00 H new ATOM 0 HD2 LYS A 27 -0.457 -6.089 -8.302 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.635 -7.459 -8.347 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.592 -6.601 -10.572 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -0.362 -8.070 -10.614 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -2.194 -6.954 -11.159 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -1.916 -5.710 -10.037 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -1.152 -5.673 -11.553 1.00 25.00 H new ATOM 411 N LEU A 28 -4.418 -4.537 -7.332 1.00 25.00 N ATOM 412 CA LEU A 28 -5.712 -3.862 -7.246 1.00 25.00 C ATOM 413 C LEU A 28 -6.132 -3.403 -8.631 1.00 25.00 C ATOM 414 O LEU A 28 -5.344 -2.847 -9.365 1.00 25.00 O ATOM 415 CB LEU A 28 -5.599 -2.665 -6.289 1.00 25.00 C ATOM 416 CG LEU A 28 -6.859 -1.817 -6.028 1.00 25.00 C ATOM 417 CD1 LEU A 28 -8.068 -2.675 -5.701 1.00 25.00 C ATOM 418 CD2 LEU A 28 -6.601 -0.870 -4.869 1.00 25.00 C ATOM 0 H LEU A 28 -3.761 -4.105 -7.981 1.00 25.00 H new ATOM 0 HA LEU A 28 -6.467 -4.548 -6.861 1.00 25.00 H new ATOM 0 HB2 LEU A 28 -5.245 -3.040 -5.328 1.00 25.00 H new ATOM 0 HB3 LEU A 28 -4.826 -2.001 -6.676 1.00 25.00 H new ATOM 0 HG LEU A 28 -7.075 -1.262 -6.941 1.00 25.00 H new ATOM 0 HD11 LEU A 28 -8.932 -2.034 -5.525 1.00 25.00 H new ATOM 0 HD12 LEU A 28 -8.276 -3.343 -6.536 1.00 25.00 H new ATOM 0 HD13 LEU A 28 -7.865 -3.264 -4.807 1.00 25.00 H new ATOM 0 HD21 LEU A 28 -7.492 -0.270 -4.684 1.00 25.00 H new ATOM 0 HD22 LEU A 28 -6.359 -1.446 -3.976 1.00 25.00 H new ATOM 0 HD23 LEU A 28 -5.766 -0.214 -5.114 1.00 25.00 H new ATOM 430 N SER A 29 -7.375 -3.653 -9.000 1.00 25.00 N ATOM 431 CA SER A 29 -7.872 -3.240 -10.312 1.00 25.00 C ATOM 432 C SER A 29 -8.005 -1.704 -10.408 1.00 25.00 C ATOM 433 O SER A 29 -8.308 -1.052 -9.417 1.00 25.00 O ATOM 434 CB SER A 29 -9.211 -3.892 -10.558 1.00 25.00 C ATOM 435 OG SER A 29 -9.184 -5.246 -10.142 1.00 25.00 O ATOM 0 H SER A 29 -8.060 -4.136 -8.419 1.00 25.00 H new ATOM 0 HA SER A 29 -7.157 -3.556 -11.071 1.00 25.00 H new ATOM 0 HB2 SER A 29 -9.990 -3.354 -10.017 1.00 25.00 H new ATOM 0 HB3 SER A 29 -9.461 -3.835 -11.617 1.00 25.00 H new ATOM 0 HG SER A 29 -10.059 -5.656 -10.306 1.00 25.00 H new ATOM 441 N LYS A 30 -7.794 -1.118 -11.586 1.00 25.00 N ATOM 442 CA LYS A 30 -7.813 0.356 -11.723 1.00 25.00 C ATOM 443 C LYS A 30 -9.128 1.013 -11.337 1.00 25.00 C ATOM 444 O LYS A 30 -9.126 1.926 -10.531 1.00 25.00 O ATOM 445 CB LYS A 30 -7.419 0.800 -13.135 1.00 25.00 C ATOM 446 CG LYS A 30 -5.916 0.957 -13.277 1.00 25.00 C ATOM 447 CD LYS A 30 -5.504 1.576 -14.604 1.00 25.00 C ATOM 448 CE LYS A 30 -3.989 1.797 -14.633 1.00 25.00 C ATOM 449 NZ LYS A 30 -3.525 2.489 -15.877 1.00 25.00 N ATOM 0 H LYS A 30 -7.610 -1.623 -12.453 1.00 25.00 H new ATOM 0 HA LYS A 30 -7.069 0.698 -11.004 1.00 25.00 H new ATOM 0 HB2 LYS A 30 -7.778 0.069 -13.859 1.00 25.00 H new ATOM 0 HB3 LYS A 30 -7.907 1.746 -13.368 1.00 25.00 H new ATOM 0 HG2 LYS A 30 -5.543 1.577 -12.462 1.00 25.00 H new ATOM 0 HG3 LYS A 30 -5.443 -0.020 -13.176 1.00 25.00 H new ATOM 0 HD2 LYS A 30 -5.800 0.924 -15.426 1.00 25.00 H new ATOM 0 HD3 LYS A 30 -6.021 2.525 -14.748 1.00 25.00 H new ATOM 0 HE2 LYS A 30 -3.696 2.387 -13.764 1.00 25.00 H new ATOM 0 HE3 LYS A 30 -3.485 0.834 -14.549 1.00 25.00 H new ATOM 0 HZ1 LYS A 30 -2.647 3.010 -15.678 1.00 25.00 H new ATOM 0 HZ2 LYS A 30 -3.348 1.784 -16.621 1.00 25.00 H new ATOM 0 HZ3 LYS A 30 -4.257 3.154 -16.198 1.00 25.00 H new ATOM 463 N LYS A 31 -10.251 0.534 -11.852 1.00 25.00 N ATOM 464 CA LYS A 31 -11.564 1.076 -11.445 1.00 25.00 C ATOM 465 C LYS A 31 -11.778 1.044 -9.931 1.00 25.00 C ATOM 466 O LYS A 31 -12.457 1.901 -9.382 1.00 25.00 O ATOM 467 CB LYS A 31 -12.736 0.359 -12.154 1.00 25.00 C ATOM 468 CG LYS A 31 -13.020 -1.137 -11.775 1.00 25.00 C ATOM 469 CD LYS A 31 -11.892 -2.096 -12.149 1.00 25.00 C ATOM 470 CE LYS A 31 -12.391 -3.522 -12.507 1.00 25.00 C ATOM 471 NZ LYS A 31 -13.117 -3.589 -13.841 1.00 25.00 N ATOM 0 H LYS A 31 -10.294 -0.216 -12.542 1.00 25.00 H new ATOM 0 HA LYS A 31 -11.552 2.120 -11.759 1.00 25.00 H new ATOM 0 HB2 LYS A 31 -13.644 0.931 -11.961 1.00 25.00 H new ATOM 0 HB3 LYS A 31 -12.554 0.403 -13.228 1.00 25.00 H new ATOM 0 HG2 LYS A 31 -13.198 -1.202 -10.702 1.00 25.00 H new ATOM 0 HG3 LYS A 31 -13.936 -1.459 -12.270 1.00 25.00 H new ATOM 0 HD2 LYS A 31 -11.343 -1.687 -12.997 1.00 25.00 H new ATOM 0 HD3 LYS A 31 -11.190 -2.162 -11.318 1.00 25.00 H new ATOM 0 HE2 LYS A 31 -11.539 -4.202 -12.530 1.00 25.00 H new ATOM 0 HE3 LYS A 31 -13.058 -3.874 -11.720 1.00 25.00 H new ATOM 0 HZ1 LYS A 31 -14.138 -3.693 -13.675 1.00 25.00 H new ATOM 0 HZ2 LYS A 31 -12.940 -2.715 -14.377 1.00 25.00 H new ATOM 0 HZ3 LYS A 31 -12.770 -4.405 -14.385 1.00 25.00 H new ATOM 485 N GLU A 32 -11.177 0.072 -9.267 1.00 25.00 N ATOM 486 CA GLU A 32 -11.330 -0.087 -7.826 1.00 25.00 C ATOM 487 C GLU A 32 -10.419 0.893 -7.080 1.00 25.00 C ATOM 488 O GLU A 32 -10.751 1.383 -6.005 1.00 25.00 O ATOM 489 CB GLU A 32 -10.995 -1.528 -7.438 1.00 25.00 C ATOM 490 CG GLU A 32 -11.839 -2.594 -8.148 1.00 25.00 C ATOM 491 CD GLU A 32 -13.262 -2.700 -7.631 1.00 25.00 C ATOM 492 OE1 GLU A 32 -13.652 -1.934 -6.738 1.00 25.00 O ATOM 493 OE2 GLU A 32 -13.967 -3.633 -8.061 1.00 25.00 O ATOM 0 H GLU A 32 -10.574 -0.625 -9.704 1.00 25.00 H new ATOM 0 HA GLU A 32 -12.361 0.130 -7.548 1.00 25.00 H new ATOM 0 HB2 GLU A 32 -9.943 -1.713 -7.654 1.00 25.00 H new ATOM 0 HB3 GLU A 32 -11.124 -1.640 -6.361 1.00 25.00 H new ATOM 0 HG2 GLU A 32 -11.867 -2.370 -9.214 1.00 25.00 H new ATOM 0 HG3 GLU A 32 -11.350 -3.562 -8.038 1.00 25.00 H new ATOM 500 N LEU A 33 -9.289 1.223 -7.692 1.00 25.00 N ATOM 501 CA LEU A 33 -8.347 2.197 -7.137 1.00 25.00 C ATOM 502 C LEU A 33 -8.983 3.568 -7.031 1.00 25.00 C ATOM 503 O LEU A 33 -8.646 4.347 -6.149 1.00 25.00 O ATOM 504 CB LEU A 33 -7.119 2.298 -8.042 1.00 25.00 C ATOM 505 CG LEU A 33 -5.901 3.016 -7.447 1.00 25.00 C ATOM 506 CD1 LEU A 33 -5.227 2.126 -6.427 1.00 25.00 C ATOM 507 CD2 LEU A 33 -4.951 3.388 -8.552 1.00 25.00 C ATOM 0 H LEU A 33 -8.997 0.826 -8.585 1.00 25.00 H new ATOM 0 HA LEU A 33 -8.060 1.859 -6.141 1.00 25.00 H new ATOM 0 HB2 LEU A 33 -6.818 1.290 -8.326 1.00 25.00 H new ATOM 0 HB3 LEU A 33 -7.409 2.814 -8.957 1.00 25.00 H new ATOM 0 HG LEU A 33 -6.220 3.928 -6.942 1.00 25.00 H new ATOM 0 HD11 LEU A 33 -4.363 2.642 -6.008 1.00 25.00 H new ATOM 0 HD12 LEU A 33 -5.931 1.890 -5.629 1.00 25.00 H new ATOM 0 HD13 LEU A 33 -4.901 1.204 -6.908 1.00 25.00 H new ATOM 0 HD21 LEU A 33 -4.085 3.898 -8.131 1.00 25.00 H new ATOM 0 HD22 LEU A 33 -4.624 2.486 -9.070 1.00 25.00 H new ATOM 0 HD23 LEU A 33 -5.454 4.049 -9.257 1.00 25.00 H new ATOM 519 N LYS A 34 -9.924 3.861 -7.914 1.00 25.00 N ATOM 520 CA LYS A 34 -10.600 5.153 -7.879 1.00 25.00 C ATOM 521 C LYS A 34 -11.335 5.334 -6.569 1.00 25.00 C ATOM 522 O LYS A 34 -11.396 6.433 -6.047 1.00 25.00 O ATOM 523 CB LYS A 34 -11.579 5.291 -9.035 1.00 25.00 C ATOM 524 CG LYS A 34 -12.013 6.738 -9.263 1.00 25.00 C ATOM 525 CD LYS A 34 -12.863 6.892 -10.508 1.00 25.00 C ATOM 526 CE LYS A 34 -14.273 6.367 -10.290 1.00 25.00 C ATOM 527 NZ LYS A 34 -15.070 6.525 -11.577 1.00 25.00 N ATOM 0 H LYS A 34 -10.236 3.233 -8.655 1.00 25.00 H new ATOM 0 HA LYS A 34 -9.838 5.926 -7.973 1.00 25.00 H new ATOM 0 HB2 LYS A 34 -11.119 4.905 -9.945 1.00 25.00 H new ATOM 0 HB3 LYS A 34 -12.458 4.678 -8.838 1.00 25.00 H new ATOM 0 HG2 LYS A 34 -12.574 7.088 -8.397 1.00 25.00 H new ATOM 0 HG3 LYS A 34 -11.130 7.371 -9.348 1.00 25.00 H new ATOM 0 HD2 LYS A 34 -12.905 7.943 -10.793 1.00 25.00 H new ATOM 0 HD3 LYS A 34 -12.398 6.356 -11.335 1.00 25.00 H new ATOM 0 HE2 LYS A 34 -14.242 5.318 -9.994 1.00 25.00 H new ATOM 0 HE3 LYS A 34 -14.756 6.913 -9.480 1.00 25.00 H new ATOM 0 HZ1 LYS A 34 -16.036 6.167 -11.433 1.00 25.00 H new ATOM 0 HZ2 LYS A 34 -15.109 7.530 -11.840 1.00 25.00 H new ATOM 0 HZ3 LYS A 34 -14.611 5.985 -12.338 1.00 25.00 H new ATOM 541 N GLU A 35 -11.876 4.261 -6.023 1.00 25.00 N ATOM 542 CA GLU A 35 -12.590 4.354 -4.759 1.00 25.00 C ATOM 543 C GLU A 35 -11.612 4.744 -3.659 1.00 25.00 C ATOM 544 O GLU A 35 -11.880 5.643 -2.874 1.00 25.00 O ATOM 545 CB GLU A 35 -13.231 3.009 -4.406 1.00 25.00 C ATOM 546 CG GLU A 35 -14.186 3.063 -3.223 1.00 25.00 C ATOM 547 CD GLU A 35 -14.799 1.699 -2.933 1.00 25.00 C ATOM 548 OE1 GLU A 35 -15.738 1.302 -3.658 1.00 25.00 O ATOM 549 OE2 GLU A 35 -14.328 1.011 -1.999 1.00 25.00 O ATOM 0 H GLU A 35 -11.837 3.325 -6.427 1.00 25.00 H new ATOM 0 HA GLU A 35 -13.373 5.106 -4.851 1.00 25.00 H new ATOM 0 HB2 GLU A 35 -13.770 2.637 -5.277 1.00 25.00 H new ATOM 0 HB3 GLU A 35 -12.442 2.289 -4.189 1.00 25.00 H new ATOM 0 HG2 GLU A 35 -13.653 3.418 -2.341 1.00 25.00 H new ATOM 0 HG3 GLU A 35 -14.979 3.783 -3.427 1.00 25.00 H new ATOM 556 N LEU A 36 -10.452 4.092 -3.642 1.00 25.00 N ATOM 557 CA LEU A 36 -9.416 4.375 -2.648 1.00 25.00 C ATOM 558 C LEU A 36 -8.983 5.833 -2.771 1.00 25.00 C ATOM 559 O LEU A 36 -8.906 6.558 -1.786 1.00 25.00 O ATOM 560 CB LEU A 36 -8.207 3.434 -2.873 1.00 25.00 C ATOM 561 CG LEU A 36 -6.990 3.478 -1.915 1.00 25.00 C ATOM 562 CD1 LEU A 36 -6.101 2.259 -2.192 1.00 25.00 C ATOM 563 CD2 LEU A 36 -6.114 4.729 -2.065 1.00 25.00 C ATOM 0 H LEU A 36 -10.204 3.360 -4.308 1.00 25.00 H new ATOM 0 HA LEU A 36 -9.811 4.204 -1.646 1.00 25.00 H new ATOM 0 HB2 LEU A 36 -8.588 2.413 -2.864 1.00 25.00 H new ATOM 0 HB3 LEU A 36 -7.833 3.625 -3.879 1.00 25.00 H new ATOM 0 HG LEU A 36 -7.401 3.487 -0.905 1.00 25.00 H new ATOM 0 HD11 LEU A 36 -5.240 2.277 -1.524 1.00 25.00 H new ATOM 0 HD12 LEU A 36 -6.672 1.346 -2.023 1.00 25.00 H new ATOM 0 HD13 LEU A 36 -5.758 2.286 -3.226 1.00 25.00 H new ATOM 0 HD21 LEU A 36 -5.286 4.680 -1.358 1.00 25.00 H new ATOM 0 HD22 LEU A 36 -5.722 4.779 -3.081 1.00 25.00 H new ATOM 0 HD23 LEU A 36 -6.711 5.618 -1.862 1.00 25.00 H new ATOM 575 N LEU A 37 -8.730 6.269 -3.994 1.00 25.00 N ATOM 576 CA LEU A 37 -8.275 7.634 -4.255 1.00 25.00 C ATOM 577 C LEU A 37 -9.314 8.671 -3.806 1.00 25.00 C ATOM 578 O LEU A 37 -8.980 9.762 -3.387 1.00 25.00 O ATOM 579 CB LEU A 37 -8.008 7.791 -5.760 1.00 25.00 C ATOM 580 CG LEU A 37 -6.718 7.160 -6.315 1.00 25.00 C ATOM 581 CD1 LEU A 37 -6.748 7.205 -7.846 1.00 25.00 C ATOM 582 CD2 LEU A 37 -5.465 7.872 -5.808 1.00 25.00 C ATOM 0 H LEU A 37 -8.832 5.695 -4.831 1.00 25.00 H new ATOM 0 HA LEU A 37 -7.362 7.809 -3.685 1.00 25.00 H new ATOM 0 HB2 LEU A 37 -8.853 7.363 -6.299 1.00 25.00 H new ATOM 0 HB3 LEU A 37 -7.989 8.856 -5.991 1.00 25.00 H new ATOM 0 HG LEU A 37 -6.675 6.129 -5.965 1.00 25.00 H new ATOM 0 HD11 LEU A 37 -5.835 6.759 -8.241 1.00 25.00 H new ATOM 0 HD12 LEU A 37 -7.611 6.648 -8.210 1.00 25.00 H new ATOM 0 HD13 LEU A 37 -6.819 8.241 -8.178 1.00 25.00 H new ATOM 0 HD21 LEU A 37 -4.580 7.392 -6.226 1.00 25.00 H new ATOM 0 HD22 LEU A 37 -5.491 8.917 -6.116 1.00 25.00 H new ATOM 0 HD23 LEU A 37 -5.429 7.815 -4.720 1.00 25.00 H new ATOM 594 N GLN A 38 -10.579 8.315 -3.909 1.00 25.00 N ATOM 595 CA GLN A 38 -11.688 9.191 -3.563 1.00 25.00 C ATOM 596 C GLN A 38 -11.966 9.196 -2.071 1.00 25.00 C ATOM 597 O GLN A 38 -12.689 10.052 -1.581 1.00 25.00 O ATOM 598 CB GLN A 38 -12.914 8.818 -4.360 1.00 25.00 C ATOM 599 CG GLN A 38 -12.786 9.326 -5.806 1.00 25.00 C ATOM 600 CD GLN A 38 -13.959 8.945 -6.671 1.00 25.00 C ATOM 601 OE1 GLN A 38 -14.819 8.125 -6.151 1.00 25.00 O flip ATOM 602 NE2 GLN A 38 -14.084 9.382 -7.804 1.00 25.00 N flip ATOM 0 H GLN A 38 -10.873 7.396 -4.240 1.00 25.00 H new ATOM 0 HA GLN A 38 -11.407 10.211 -3.825 1.00 25.00 H new ATOM 0 HB2 GLN A 38 -13.042 7.736 -4.358 1.00 25.00 H new ATOM 0 HB3 GLN A 38 -13.802 9.245 -3.895 1.00 25.00 H new ATOM 0 HG2 GLN A 38 -12.687 10.411 -5.796 1.00 25.00 H new ATOM 0 HG3 GLN A 38 -11.872 8.926 -6.246 1.00 25.00 H new ATOM 0 HE21 GLN A 38 -13.389 10.025 -8.182 1.00 25.00 H new ATOM 0 HE22 GLN A 38 -14.884 9.104 -8.373 1.00 25.00 H new ATOM 611 N THR A 39 -11.456 8.192 -1.377 1.00 25.00 N ATOM 612 CA THR A 39 -11.725 8.005 0.047 1.00 25.00 C ATOM 613 C THR A 39 -10.536 8.387 0.934 1.00 25.00 C ATOM 614 O THR A 39 -10.679 9.159 1.876 1.00 25.00 O ATOM 615 CB THR A 39 -12.081 6.522 0.298 1.00 25.00 C ATOM 616 OG1 THR A 39 -13.178 6.160 -0.543 1.00 25.00 O ATOM 617 CG2 THR A 39 -12.479 6.269 1.710 1.00 25.00 C ATOM 0 H THR A 39 -10.844 7.482 -1.780 1.00 25.00 H new ATOM 0 HA THR A 39 -12.552 8.664 0.311 1.00 25.00 H new ATOM 0 HB THR A 39 -11.192 5.930 0.080 1.00 25.00 H new ATOM 0 HG1 THR A 39 -12.837 5.808 -1.392 1.00 25.00 H new ATOM 0 HG21 THR A 39 -12.720 5.213 1.837 1.00 25.00 H new ATOM 0 HG22 THR A 39 -11.656 6.536 2.373 1.00 25.00 H new ATOM 0 HG23 THR A 39 -13.353 6.872 1.955 1.00 25.00 H new ATOM 625 N GLU A 40 -9.360 7.861 0.628 1.00 25.00 N ATOM 626 CA GLU A 40 -8.177 8.063 1.466 1.00 25.00 C ATOM 627 C GLU A 40 -7.440 9.305 1.035 1.00 25.00 C ATOM 628 O GLU A 40 -6.631 9.856 1.770 1.00 25.00 O ATOM 629 CB GLU A 40 -7.244 6.859 1.344 1.00 25.00 C ATOM 630 CG GLU A 40 -7.852 5.581 1.884 1.00 25.00 C ATOM 631 CD GLU A 40 -8.231 5.719 3.353 1.00 25.00 C ATOM 632 OE1 GLU A 40 -7.374 6.176 4.149 1.00 25.00 O ATOM 633 OE2 GLU A 40 -9.400 5.446 3.697 1.00 25.00 O ATOM 0 H GLU A 40 -9.194 7.287 -0.199 1.00 25.00 H new ATOM 0 HA GLU A 40 -8.499 8.175 2.501 1.00 25.00 H new ATOM 0 HB2 GLU A 40 -6.981 6.715 0.296 1.00 25.00 H new ATOM 0 HB3 GLU A 40 -6.318 7.068 1.879 1.00 25.00 H new ATOM 0 HG2 GLU A 40 -8.737 5.324 1.302 1.00 25.00 H new ATOM 0 HG3 GLU A 40 -7.143 4.762 1.766 1.00 25.00 H new ATOM 640 N LEU A 41 -7.746 9.745 -0.172 1.00 25.00 N ATOM 641 CA LEU A 41 -7.136 10.939 -0.740 1.00 25.00 C ATOM 642 C LEU A 41 -8.191 11.982 -1.056 1.00 25.00 C ATOM 643 O LEU A 41 -7.915 13.007 -1.682 1.00 25.00 O ATOM 644 CB LEU A 41 -6.344 10.553 -1.976 1.00 25.00 C ATOM 645 CG LEU A 41 -4.858 10.465 -1.661 1.00 25.00 C ATOM 646 CD1 LEU A 41 -4.197 9.616 -2.709 1.00 25.00 C ATOM 647 CD2 LEU A 41 -4.185 11.808 -1.614 1.00 25.00 C ATOM 0 H LEU A 41 -8.421 9.289 -0.786 1.00 25.00 H new ATOM 0 HA LEU A 41 -6.455 11.383 -0.014 1.00 25.00 H new ATOM 0 HB2 LEU A 41 -6.697 9.594 -2.355 1.00 25.00 H new ATOM 0 HB3 LEU A 41 -6.510 11.288 -2.764 1.00 25.00 H new ATOM 0 HG LEU A 41 -4.757 10.026 -0.668 1.00 25.00 H new ATOM 0 HD11 LEU A 41 -3.130 9.543 -2.498 1.00 25.00 H new ATOM 0 HD12 LEU A 41 -4.638 8.619 -2.701 1.00 25.00 H new ATOM 0 HD13 LEU A 41 -4.343 10.069 -3.690 1.00 25.00 H new ATOM 0 HD21 LEU A 41 -3.127 11.677 -1.385 1.00 25.00 H new ATOM 0 HD22 LEU A 41 -4.289 12.301 -2.581 1.00 25.00 H new ATOM 0 HD23 LEU A 41 -4.650 12.421 -0.842 1.00 25.00 H new ATOM 659 N SER A 42 -9.389 11.741 -0.540 1.00 25.00 N ATOM 660 CA SER A 42 -10.490 12.705 -0.611 1.00 25.00 C ATOM 661 C SER A 42 -10.106 14.125 -0.182 1.00 25.00 C ATOM 662 O SER A 42 -10.647 15.095 -0.700 1.00 25.00 O ATOM 663 CB SER A 42 -11.624 12.242 0.303 1.00 25.00 C ATOM 664 OG SER A 42 -12.883 12.455 -0.307 1.00 25.00 O ATOM 0 H SER A 42 -9.629 10.874 -0.060 1.00 25.00 H new ATOM 0 HA SER A 42 -10.784 12.744 -1.660 1.00 25.00 H new ATOM 0 HB2 SER A 42 -11.502 11.184 0.534 1.00 25.00 H new ATOM 0 HB3 SER A 42 -11.578 12.782 1.249 1.00 25.00 H new ATOM 0 HG SER A 42 -13.103 11.690 -0.879 1.00 25.00 H new ATOM 670 N GLY A 43 -9.173 14.259 0.751 1.00 25.00 N ATOM 671 CA GLY A 43 -8.808 15.579 1.248 1.00 25.00 C ATOM 672 C GLY A 43 -7.935 16.319 0.259 1.00 25.00 C ATOM 673 O GLY A 43 -8.041 17.530 0.108 1.00 25.00 O ATOM 0 H GLY A 43 -8.662 13.484 1.173 1.00 25.00 H new ATOM 0 HA2 GLY A 43 -9.710 16.158 1.444 1.00 25.00 H new ATOM 0 HA3 GLY A 43 -8.281 15.479 2.197 1.00 25.00 H new ATOM 677 N PHE A 44 -7.091 15.596 -0.458 1.00 25.00 N ATOM 678 CA PHE A 44 -6.269 16.220 -1.496 1.00 25.00 C ATOM 679 C PHE A 44 -7.143 16.490 -2.715 1.00 25.00 C ATOM 680 O PHE A 44 -6.888 17.433 -3.460 1.00 25.00 O ATOM 681 CB PHE A 44 -5.095 15.325 -1.897 1.00 25.00 C ATOM 682 CG PHE A 44 -3.922 15.339 -0.921 1.00 25.00 C ATOM 683 CD1 PHE A 44 -4.012 15.918 0.373 1.00 25.00 C ATOM 684 CD2 PHE A 44 -2.696 14.761 -1.312 1.00 25.00 C ATOM 685 CE1 PHE A 44 -2.895 15.910 1.247 1.00 25.00 C ATOM 686 CE2 PHE A 44 -1.585 14.744 -0.438 1.00 25.00 C ATOM 687 CZ PHE A 44 -1.683 15.320 0.838 1.00 25.00 C ATOM 0 H PHE A 44 -6.954 14.591 -0.348 1.00 25.00 H new ATOM 0 HA PHE A 44 -5.859 17.150 -1.103 1.00 25.00 H new ATOM 0 HB2 PHE A 44 -5.454 14.301 -1.998 1.00 25.00 H new ATOM 0 HB3 PHE A 44 -4.737 15.636 -2.879 1.00 25.00 H new ATOM 0 HD1 PHE A 44 -4.940 16.368 0.694 1.00 25.00 H new ATOM 0 HD2 PHE A 44 -2.605 14.324 -2.295 1.00 25.00 H new ATOM 0 HE1 PHE A 44 -2.974 16.357 2.227 1.00 25.00 H new ATOM 0 HE2 PHE A 44 -0.659 14.287 -0.753 1.00 25.00 H new ATOM 0 HZ PHE A 44 -0.833 15.311 1.504 1.00 25.00 H new ATOM 697 N LEU A 45 -8.185 15.688 -2.896 1.00 25.00 N ATOM 698 CA LEU A 45 -9.132 15.888 -3.992 1.00 25.00 C ATOM 699 C LEU A 45 -9.950 17.149 -3.737 1.00 25.00 C ATOM 700 O LEU A 45 -10.181 17.930 -4.643 1.00 25.00 O ATOM 701 CB LEU A 45 -10.073 14.685 -4.134 1.00 25.00 C ATOM 702 CG LEU A 45 -9.844 13.860 -5.407 1.00 25.00 C ATOM 703 CD1 LEU A 45 -9.862 12.387 -5.065 1.00 25.00 C ATOM 704 CD2 LEU A 45 -10.917 14.171 -6.449 1.00 25.00 C ATOM 0 H LEU A 45 -8.398 14.890 -2.297 1.00 25.00 H new ATOM 0 HA LEU A 45 -8.567 15.994 -4.918 1.00 25.00 H new ATOM 0 HB2 LEU A 45 -9.951 14.037 -3.266 1.00 25.00 H new ATOM 0 HB3 LEU A 45 -11.104 15.040 -4.124 1.00 25.00 H new ATOM 0 HG LEU A 45 -8.873 14.122 -5.827 1.00 25.00 H new ATOM 0 HD11 LEU A 45 -9.699 11.801 -5.970 1.00 25.00 H new ATOM 0 HD12 LEU A 45 -9.072 12.171 -4.346 1.00 25.00 H new ATOM 0 HD13 LEU A 45 -10.828 12.126 -4.632 1.00 25.00 H new ATOM 0 HD21 LEU A 45 -10.738 13.576 -7.345 1.00 25.00 H new ATOM 0 HD22 LEU A 45 -11.899 13.929 -6.043 1.00 25.00 H new ATOM 0 HD23 LEU A 45 -10.881 15.230 -6.704 1.00 25.00 H new ATOM 716 N ASP A 46 -10.345 17.372 -2.497 1.00 25.00 N ATOM 717 CA ASP A 46 -11.064 18.594 -2.123 1.00 25.00 C ATOM 718 C ASP A 46 -10.140 19.810 -2.236 1.00 25.00 C ATOM 719 O ASP A 46 -10.560 20.916 -2.568 1.00 25.00 O ATOM 720 CB ASP A 46 -11.553 18.473 -0.681 1.00 25.00 C ATOM 721 CG ASP A 46 -12.349 19.689 -0.231 1.00 25.00 C ATOM 722 OD1 ASP A 46 -13.465 19.900 -0.753 1.00 25.00 O ATOM 723 OD2 ASP A 46 -11.869 20.419 0.663 1.00 25.00 O ATOM 0 H ASP A 46 -10.183 16.726 -1.724 1.00 25.00 H new ATOM 0 HA ASP A 46 -11.911 18.724 -2.797 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -12.173 17.581 -0.585 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -10.696 18.339 -0.020 1.00 25.00 H new ATOM 728 N ALA A 47 -8.857 19.584 -1.997 1.00 25.00 N ATOM 729 CA ALA A 47 -7.868 20.649 -2.005 1.00 25.00 C ATOM 730 C ALA A 47 -7.203 20.752 -3.372 1.00 25.00 C ATOM 731 O ALA A 47 -6.117 21.337 -3.493 1.00 25.00 O ATOM 732 CB ALA A 47 -6.819 20.390 -0.916 1.00 25.00 C ATOM 0 H ALA A 47 -8.474 18.661 -1.793 1.00 25.00 H new ATOM 0 HA ALA A 47 -8.367 21.596 -1.799 1.00 25.00 H new ATOM 0 HB1 ALA A 47 -6.079 21.191 -0.925 1.00 25.00 H new ATOM 0 HB2 ALA A 47 -7.306 20.358 0.058 1.00 25.00 H new ATOM 0 HB3 ALA A 47 -6.325 19.437 -1.106 1.00 25.00 H new ATOM 738 N GLN A 48 -7.831 20.187 -4.392 1.00 25.00 N ATOM 739 CA GLN A 48 -7.267 20.203 -5.730 1.00 25.00 C ATOM 740 C GLN A 48 -7.126 21.651 -6.214 1.00 25.00 C ATOM 741 O GLN A 48 -7.890 22.535 -5.801 1.00 25.00 O ATOM 742 CB GLN A 48 -8.150 19.409 -6.708 1.00 25.00 C ATOM 743 CG GLN A 48 -9.532 20.039 -6.958 1.00 25.00 C ATOM 744 CD GLN A 48 -10.410 19.218 -7.877 1.00 25.00 C ATOM 745 OE1 GLN A 48 -10.603 19.565 -9.029 1.00 25.00 O ATOM 746 NE2 GLN A 48 -10.956 18.146 -7.375 1.00 25.00 N ATOM 0 H GLN A 48 -8.731 19.712 -4.317 1.00 25.00 H new ATOM 0 HA GLN A 48 -6.285 19.732 -5.696 1.00 25.00 H new ATOM 0 HB2 GLN A 48 -7.627 19.316 -7.660 1.00 25.00 H new ATOM 0 HB3 GLN A 48 -8.287 18.400 -6.320 1.00 25.00 H new ATOM 0 HG2 GLN A 48 -10.041 20.170 -6.003 1.00 25.00 H new ATOM 0 HG3 GLN A 48 -9.398 21.032 -7.387 1.00 25.00 H new ATOM 0 HE21 GLN A 48 -10.772 17.886 -6.406 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -11.567 17.567 -7.951 1.00 25.00 H new ATOM 755 N LYS A 49 -6.152 21.895 -7.078 1.00 25.00 N ATOM 756 CA LYS A 49 -5.952 23.225 -7.667 1.00 25.00 C ATOM 757 C LYS A 49 -5.757 23.082 -9.160 1.00 25.00 C ATOM 758 O LYS A 49 -6.391 23.782 -9.945 1.00 25.00 O ATOM 759 CB LYS A 49 -4.746 23.934 -7.031 1.00 25.00 C ATOM 760 CG LYS A 49 -4.910 24.213 -5.533 1.00 25.00 C ATOM 761 CD LYS A 49 -5.985 25.274 -5.248 1.00 25.00 C ATOM 762 CE LYS A 49 -6.355 25.314 -3.768 1.00 25.00 C ATOM 763 NZ LYS A 49 -7.132 24.080 -3.384 1.00 25.00 N ATOM 0 H LYS A 49 -5.483 21.192 -7.392 1.00 25.00 H new ATOM 0 HA LYS A 49 -6.833 23.836 -7.472 1.00 25.00 H new ATOM 0 HB2 LYS A 49 -3.856 23.323 -7.182 1.00 25.00 H new ATOM 0 HB3 LYS A 49 -4.576 24.877 -7.550 1.00 25.00 H new ATOM 0 HG2 LYS A 49 -5.172 23.287 -5.021 1.00 25.00 H new ATOM 0 HG3 LYS A 49 -3.957 24.546 -5.122 1.00 25.00 H new ATOM 0 HD2 LYS A 49 -5.622 26.253 -5.560 1.00 25.00 H new ATOM 0 HD3 LYS A 49 -6.875 25.060 -5.841 1.00 25.00 H new ATOM 0 HE2 LYS A 49 -5.451 25.385 -3.163 1.00 25.00 H new ATOM 0 HE3 LYS A 49 -6.949 26.204 -3.559 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 -7.822 24.320 -2.643 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 -7.633 23.712 -4.218 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 -6.478 23.355 -3.026 1.00 25.00 H new ATOM 777 N ASP A 50 -4.943 22.117 -9.553 1.00 25.00 N ATOM 778 CA ASP A 50 -4.759 21.820 -10.965 1.00 25.00 C ATOM 779 C ASP A 50 -5.873 20.887 -11.393 1.00 25.00 C ATOM 780 O ASP A 50 -5.734 19.664 -11.369 1.00 25.00 O ATOM 781 CB ASP A 50 -3.397 21.190 -11.237 1.00 25.00 C ATOM 782 CG ASP A 50 -2.259 22.141 -10.966 1.00 25.00 C ATOM 783 OD1 ASP A 50 -2.497 23.367 -10.892 1.00 25.00 O ATOM 784 OD2 ASP A 50 -1.127 21.664 -10.801 1.00 25.00 O ATOM 0 H ASP A 50 -4.402 21.529 -8.920 1.00 25.00 H new ATOM 0 HA ASP A 50 -4.794 22.747 -11.538 1.00 25.00 H new ATOM 0 HB2 ASP A 50 -3.280 20.302 -10.616 1.00 25.00 H new ATOM 0 HB3 ASP A 50 -3.353 20.861 -12.275 1.00 25.00 H new ATOM 789 N VAL A 51 -6.996 21.482 -11.760 1.00 25.00 N ATOM 790 CA VAL A 51 -8.184 20.729 -12.147 1.00 25.00 C ATOM 791 C VAL A 51 -7.926 19.901 -13.402 1.00 25.00 C ATOM 792 O VAL A 51 -8.560 18.888 -13.626 1.00 25.00 O ATOM 793 CB VAL A 51 -9.407 21.672 -12.363 1.00 25.00 C ATOM 794 CG1 VAL A 51 -9.763 22.388 -11.049 1.00 25.00 C ATOM 795 CG2 VAL A 51 -9.127 22.727 -13.462 1.00 25.00 C ATOM 0 H VAL A 51 -7.113 22.495 -11.799 1.00 25.00 H new ATOM 0 HA VAL A 51 -8.418 20.049 -11.328 1.00 25.00 H new ATOM 0 HB VAL A 51 -10.244 21.054 -12.686 1.00 25.00 H new ATOM 0 HG11 VAL A 51 -10.618 23.044 -11.212 1.00 25.00 H new ATOM 0 HG12 VAL A 51 -10.012 21.649 -10.288 1.00 25.00 H new ATOM 0 HG13 VAL A 51 -8.911 22.980 -10.715 1.00 25.00 H new ATOM 0 HG21 VAL A 51 -10.002 23.366 -13.584 1.00 25.00 H new ATOM 0 HG22 VAL A 51 -8.271 23.336 -13.172 1.00 25.00 H new ATOM 0 HG23 VAL A 51 -8.911 22.223 -14.404 1.00 25.00 H new ATOM 805 N ASP A 52 -6.955 20.315 -14.198 1.00 25.00 N ATOM 806 CA ASP A 52 -6.593 19.566 -15.397 1.00 25.00 C ATOM 807 C ASP A 52 -5.828 18.292 -15.031 1.00 25.00 C ATOM 808 O ASP A 52 -6.031 17.243 -15.626 1.00 25.00 O ATOM 809 CB ASP A 52 -5.727 20.435 -16.310 1.00 25.00 C ATOM 810 CG ASP A 52 -5.523 19.807 -17.672 1.00 25.00 C ATOM 811 OD1 ASP A 52 -6.403 19.976 -18.541 1.00 25.00 O ATOM 812 OD2 ASP A 52 -4.527 19.086 -17.865 1.00 25.00 O ATOM 0 H ASP A 52 -6.404 21.159 -14.041 1.00 25.00 H new ATOM 0 HA ASP A 52 -7.510 19.287 -15.917 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -6.195 21.412 -16.429 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.758 20.600 -15.839 1.00 25.00 H new ATOM 817 N ALA A 53 -4.950 18.391 -14.039 1.00 25.00 N ATOM 818 CA ALA A 53 -4.105 17.266 -13.646 1.00 25.00 C ATOM 819 C ALA A 53 -4.867 16.234 -12.813 1.00 25.00 C ATOM 820 O ALA A 53 -4.664 15.031 -12.972 1.00 25.00 O ATOM 821 CB ALA A 53 -2.890 17.781 -12.871 1.00 25.00 C ATOM 0 H ALA A 53 -4.804 19.239 -13.491 1.00 25.00 H new ATOM 0 HA ALA A 53 -3.776 16.764 -14.556 1.00 25.00 H new ATOM 0 HB1 ALA A 53 -2.261 16.940 -12.579 1.00 25.00 H new ATOM 0 HB2 ALA A 53 -2.317 18.460 -13.502 1.00 25.00 H new ATOM 0 HB3 ALA A 53 -3.225 18.310 -11.979 1.00 25.00 H new ATOM 827 N VAL A 54 -5.747 16.700 -11.934 1.00 25.00 N ATOM 828 CA VAL A 54 -6.526 15.794 -11.080 1.00 25.00 C ATOM 829 C VAL A 54 -7.419 14.940 -11.980 1.00 25.00 C ATOM 830 O VAL A 54 -7.606 13.747 -11.758 1.00 25.00 O ATOM 831 CB VAL A 54 -7.352 16.592 -10.012 1.00 25.00 C ATOM 832 CG1 VAL A 54 -8.550 17.269 -10.599 1.00 25.00 C ATOM 833 CG2 VAL A 54 -7.779 15.695 -8.857 1.00 25.00 C ATOM 0 H VAL A 54 -5.942 17.691 -11.790 1.00 25.00 H new ATOM 0 HA VAL A 54 -5.858 15.142 -10.517 1.00 25.00 H new ATOM 0 HB VAL A 54 -6.686 17.367 -9.633 1.00 25.00 H new ATOM 0 HG11 VAL A 54 -9.085 17.806 -9.816 1.00 25.00 H new ATOM 0 HG12 VAL A 54 -8.230 17.972 -11.368 1.00 25.00 H new ATOM 0 HG13 VAL A 54 -9.209 16.522 -11.042 1.00 25.00 H new ATOM 0 HG21 VAL A 54 -8.349 16.279 -8.135 1.00 25.00 H new ATOM 0 HG22 VAL A 54 -8.398 14.883 -9.237 1.00 25.00 H new ATOM 0 HG23 VAL A 54 -6.895 15.281 -8.372 1.00 25.00 H new ATOM 843 N ASP A 55 -7.919 15.566 -13.032 1.00 25.00 N ATOM 844 CA ASP A 55 -8.811 14.921 -13.970 1.00 25.00 C ATOM 845 C ASP A 55 -8.054 13.999 -14.896 1.00 25.00 C ATOM 846 O ASP A 55 -8.575 12.994 -15.335 1.00 25.00 O ATOM 847 CB ASP A 55 -9.503 15.989 -14.786 1.00 25.00 C ATOM 848 CG ASP A 55 -10.582 15.419 -15.692 1.00 25.00 C ATOM 849 OD1 ASP A 55 -11.446 14.663 -15.198 1.00 25.00 O ATOM 850 OD2 ASP A 55 -10.546 15.709 -16.910 1.00 25.00 O ATOM 0 H ASP A 55 -7.715 16.540 -13.257 1.00 25.00 H new ATOM 0 HA ASP A 55 -9.537 14.326 -13.416 1.00 25.00 H new ATOM 0 HB2 ASP A 55 -9.947 16.724 -14.115 1.00 25.00 H new ATOM 0 HB3 ASP A 55 -8.765 16.515 -15.391 1.00 25.00 H new ATOM 855 N LYS A 56 -6.800 14.320 -15.168 1.00 25.00 N ATOM 856 CA LYS A 56 -5.985 13.480 -16.043 1.00 25.00 C ATOM 857 C LYS A 56 -5.836 12.088 -15.466 1.00 25.00 C ATOM 858 O LYS A 56 -5.896 11.114 -16.196 1.00 25.00 O ATOM 859 CB LYS A 56 -4.603 14.106 -16.264 1.00 25.00 C ATOM 860 CG LYS A 56 -4.200 14.218 -17.740 1.00 25.00 C ATOM 861 CD LYS A 56 -4.531 15.595 -18.343 1.00 25.00 C ATOM 862 CE LYS A 56 -6.039 15.809 -18.544 1.00 25.00 C ATOM 863 NZ LYS A 56 -6.313 17.146 -19.138 1.00 25.00 N ATOM 0 H LYS A 56 -6.325 15.145 -14.803 1.00 25.00 H new ATOM 0 HA LYS A 56 -6.494 13.407 -17.004 1.00 25.00 H new ATOM 0 HB2 LYS A 56 -4.590 15.100 -15.817 1.00 25.00 H new ATOM 0 HB3 LYS A 56 -3.857 13.510 -15.738 1.00 25.00 H new ATOM 0 HG2 LYS A 56 -3.130 14.032 -17.836 1.00 25.00 H new ATOM 0 HG3 LYS A 56 -4.711 13.443 -18.312 1.00 25.00 H new ATOM 0 HD2 LYS A 56 -4.142 16.376 -17.690 1.00 25.00 H new ATOM 0 HD3 LYS A 56 -4.023 15.699 -19.302 1.00 25.00 H new ATOM 0 HE2 LYS A 56 -6.437 15.030 -19.194 1.00 25.00 H new ATOM 0 HE3 LYS A 56 -6.553 15.720 -17.587 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 -7.068 17.617 -18.600 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 -5.450 17.725 -19.102 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 -6.612 17.032 -20.127 1.00 25.00 H new ATOM 877 N VAL A 57 -5.687 11.993 -14.152 1.00 25.00 N ATOM 878 CA VAL A 57 -5.556 10.693 -13.495 1.00 25.00 C ATOM 879 C VAL A 57 -6.887 9.956 -13.560 1.00 25.00 C ATOM 880 O VAL A 57 -6.957 8.760 -13.830 1.00 25.00 O ATOM 881 CB VAL A 57 -5.156 10.869 -11.995 1.00 25.00 C ATOM 882 CG1 VAL A 57 -5.117 9.514 -11.285 1.00 25.00 C ATOM 883 CG2 VAL A 57 -3.788 11.560 -11.884 1.00 25.00 C ATOM 0 H VAL A 57 -5.654 12.793 -13.520 1.00 25.00 H new ATOM 0 HA VAL A 57 -4.780 10.125 -14.008 1.00 25.00 H new ATOM 0 HB VAL A 57 -5.907 11.494 -11.512 1.00 25.00 H new ATOM 0 HG11 VAL A 57 -4.836 9.658 -10.242 1.00 25.00 H new ATOM 0 HG12 VAL A 57 -6.101 9.048 -11.335 1.00 25.00 H new ATOM 0 HG13 VAL A 57 -4.385 8.869 -11.772 1.00 25.00 H new ATOM 0 HG21 VAL A 57 -3.523 11.676 -10.833 1.00 25.00 H new ATOM 0 HG22 VAL A 57 -3.033 10.954 -12.384 1.00 25.00 H new ATOM 0 HG23 VAL A 57 -3.837 12.541 -12.356 1.00 25.00 H new ATOM 893 N MET A 58 -7.952 10.685 -13.293 1.00 25.00 N ATOM 894 CA MET A 58 -9.273 10.089 -13.207 1.00 25.00 C ATOM 895 C MET A 58 -9.777 9.631 -14.543 1.00 25.00 C ATOM 896 O MET A 58 -10.233 8.514 -14.671 1.00 25.00 O ATOM 897 CB MET A 58 -10.236 11.096 -12.609 1.00 25.00 C ATOM 898 CG MET A 58 -9.826 11.419 -11.220 1.00 25.00 C ATOM 899 SD MET A 58 -10.154 10.036 -10.104 1.00 25.00 S ATOM 900 CE MET A 58 -9.409 10.612 -8.600 1.00 25.00 C ATOM 0 H MET A 58 -7.930 11.692 -13.132 1.00 25.00 H new ATOM 0 HA MET A 58 -9.203 9.207 -12.570 1.00 25.00 H new ATOM 0 HB2 MET A 58 -10.251 12.003 -13.214 1.00 25.00 H new ATOM 0 HB3 MET A 58 -11.249 10.693 -12.615 1.00 25.00 H new ATOM 0 HG2 MET A 58 -8.764 11.663 -11.199 1.00 25.00 H new ATOM 0 HG3 MET A 58 -10.363 12.303 -10.876 1.00 25.00 H new ATOM 0 HE1 MET A 58 -9.534 9.860 -7.821 1.00 25.00 H new ATOM 0 HE2 MET A 58 -8.346 10.790 -8.765 1.00 25.00 H new ATOM 0 HE3 MET A 58 -9.888 11.540 -8.289 1.00 25.00 H new ATOM 910 N LYS A 59 -9.670 10.480 -15.547 1.00 25.00 N ATOM 911 CA LYS A 59 -10.123 10.125 -16.883 1.00 25.00 C ATOM 912 C LYS A 59 -9.292 8.984 -17.430 1.00 25.00 C ATOM 913 O LYS A 59 -9.826 8.088 -18.066 1.00 25.00 O ATOM 914 CB LYS A 59 -10.052 11.334 -17.824 1.00 25.00 C ATOM 915 CG LYS A 59 -10.693 11.086 -19.196 1.00 25.00 C ATOM 916 CD LYS A 59 -12.215 10.831 -19.093 1.00 25.00 C ATOM 917 CE LYS A 59 -12.556 9.405 -19.521 1.00 25.00 C ATOM 918 NZ LYS A 59 -13.988 9.012 -19.296 1.00 25.00 N ATOM 0 H LYS A 59 -9.275 11.417 -15.466 1.00 25.00 H new ATOM 0 HA LYS A 59 -11.163 9.805 -16.818 1.00 25.00 H new ATOM 0 HB2 LYS A 59 -10.546 12.182 -17.350 1.00 25.00 H new ATOM 0 HB3 LYS A 59 -9.008 11.612 -17.966 1.00 25.00 H new ATOM 0 HG2 LYS A 59 -10.513 11.947 -19.840 1.00 25.00 H new ATOM 0 HG3 LYS A 59 -10.214 10.229 -19.669 1.00 25.00 H new ATOM 0 HD2 LYS A 59 -12.548 10.997 -18.068 1.00 25.00 H new ATOM 0 HD3 LYS A 59 -12.751 11.542 -19.722 1.00 25.00 H new ATOM 0 HE2 LYS A 59 -12.324 9.292 -20.580 1.00 25.00 H new ATOM 0 HE3 LYS A 59 -11.913 8.713 -18.978 1.00 25.00 H new ATOM 0 HZ1 LYS A 59 -14.319 8.434 -20.095 1.00 25.00 H new ATOM 0 HZ2 LYS A 59 -14.063 8.462 -18.416 1.00 25.00 H new ATOM 0 HZ3 LYS A 59 -14.575 9.867 -19.221 1.00 25.00 H new ATOM 932 N GLU A 60 -7.999 8.982 -17.140 1.00 25.00 N ATOM 933 CA GLU A 60 -7.144 7.897 -17.599 1.00 25.00 C ATOM 934 C GLU A 60 -7.658 6.580 -17.060 1.00 25.00 C ATOM 935 O GLU A 60 -7.816 5.614 -17.810 1.00 25.00 O ATOM 936 CB GLU A 60 -5.692 8.100 -17.135 1.00 25.00 C ATOM 937 CG GLU A 60 -4.735 6.941 -17.489 1.00 25.00 C ATOM 938 CD GLU A 60 -4.724 5.819 -16.441 1.00 25.00 C ATOM 939 OE1 GLU A 60 -4.405 6.078 -15.267 1.00 25.00 O ATOM 940 OE2 GLU A 60 -4.981 4.655 -16.817 1.00 25.00 O ATOM 0 H GLU A 60 -7.525 9.705 -16.599 1.00 25.00 H new ATOM 0 HA GLU A 60 -7.163 7.889 -18.689 1.00 25.00 H new ATOM 0 HB2 GLU A 60 -5.308 9.019 -17.578 1.00 25.00 H new ATOM 0 HB3 GLU A 60 -5.686 8.241 -16.054 1.00 25.00 H new ATOM 0 HG2 GLU A 60 -5.022 6.524 -18.454 1.00 25.00 H new ATOM 0 HG3 GLU A 60 -3.725 7.335 -17.600 1.00 25.00 H new ATOM 947 N LEU A 61 -7.938 6.521 -15.766 1.00 25.00 N ATOM 948 CA LEU A 61 -8.319 5.251 -15.187 1.00 25.00 C ATOM 949 C LEU A 61 -9.763 4.934 -15.516 1.00 25.00 C ATOM 950 O LEU A 61 -10.160 3.793 -15.479 1.00 25.00 O ATOM 951 CB LEU A 61 -8.062 5.244 -13.681 1.00 25.00 C ATOM 952 CG LEU A 61 -9.215 5.664 -12.763 1.00 25.00 C ATOM 953 CD1 LEU A 61 -10.090 4.450 -12.391 1.00 25.00 C ATOM 954 CD2 LEU A 61 -8.655 6.328 -11.503 1.00 25.00 C ATOM 0 H LEU A 61 -7.909 7.310 -15.120 1.00 25.00 H new ATOM 0 HA LEU A 61 -7.702 4.466 -15.623 1.00 25.00 H new ATOM 0 HB2 LEU A 61 -7.756 4.237 -13.397 1.00 25.00 H new ATOM 0 HB3 LEU A 61 -7.217 5.902 -13.481 1.00 25.00 H new ATOM 0 HG LEU A 61 -9.843 6.379 -13.294 1.00 25.00 H new ATOM 0 HD11 LEU A 61 -10.902 4.773 -11.739 1.00 25.00 H new ATOM 0 HD12 LEU A 61 -10.506 4.010 -13.297 1.00 25.00 H new ATOM 0 HD13 LEU A 61 -9.482 3.708 -11.873 1.00 25.00 H new ATOM 0 HD21 LEU A 61 -9.477 6.625 -10.852 1.00 25.00 H new ATOM 0 HD22 LEU A 61 -8.012 5.624 -10.976 1.00 25.00 H new ATOM 0 HD23 LEU A 61 -8.077 7.209 -11.782 1.00 25.00 H new ATOM 966 N ASP A 62 -10.545 5.941 -15.855 1.00 25.00 N ATOM 967 CA ASP A 62 -11.956 5.732 -16.157 1.00 25.00 C ATOM 968 C ASP A 62 -12.104 4.928 -17.448 1.00 25.00 C ATOM 969 O ASP A 62 -13.067 4.192 -17.631 1.00 25.00 O ATOM 970 CB ASP A 62 -12.670 7.079 -16.282 1.00 25.00 C ATOM 971 CG ASP A 62 -14.172 6.966 -16.131 1.00 25.00 C ATOM 972 OD1 ASP A 62 -14.640 6.500 -15.056 1.00 25.00 O ATOM 973 OD2 ASP A 62 -14.887 7.491 -17.019 1.00 25.00 O ATOM 0 H ASP A 62 -10.233 6.909 -15.929 1.00 25.00 H new ATOM 0 HA ASP A 62 -12.413 5.169 -15.343 1.00 25.00 H new ATOM 0 HB2 ASP A 62 -12.284 7.761 -15.524 1.00 25.00 H new ATOM 0 HB3 ASP A 62 -12.440 7.518 -17.253 1.00 25.00 H new ATOM 978 N GLU A 63 -11.109 5.034 -18.320 1.00 25.00 N ATOM 979 CA GLU A 63 -11.105 4.297 -19.588 1.00 25.00 C ATOM 980 C GLU A 63 -10.321 3.012 -19.422 1.00 25.00 C ATOM 981 O GLU A 63 -10.618 1.990 -20.031 1.00 25.00 O ATOM 982 CB GLU A 63 -10.487 5.148 -20.699 1.00 25.00 C ATOM 983 CG GLU A 63 -11.253 6.433 -20.911 1.00 25.00 C ATOM 984 CD GLU A 63 -10.835 7.197 -22.159 1.00 25.00 C ATOM 985 OE1 GLU A 63 -10.793 6.599 -23.255 1.00 25.00 O ATOM 986 OE2 GLU A 63 -10.634 8.430 -22.054 1.00 25.00 O ATOM 0 H GLU A 63 -10.290 5.624 -18.176 1.00 25.00 H new ATOM 0 HA GLU A 63 -12.133 4.062 -19.865 1.00 25.00 H new ATOM 0 HB2 GLU A 63 -9.452 5.379 -20.447 1.00 25.00 H new ATOM 0 HB3 GLU A 63 -10.470 4.577 -21.628 1.00 25.00 H new ATOM 0 HG2 GLU A 63 -12.317 6.205 -20.975 1.00 25.00 H new ATOM 0 HG3 GLU A 63 -11.116 7.075 -20.040 1.00 25.00 H new ATOM 993 N ASN A 64 -9.353 3.054 -18.523 1.00 25.00 N ATOM 994 CA ASN A 64 -8.541 1.887 -18.201 1.00 25.00 C ATOM 995 C ASN A 64 -9.138 1.181 -16.980 1.00 25.00 C ATOM 996 O ASN A 64 -8.451 0.463 -16.256 1.00 25.00 O ATOM 997 CB ASN A 64 -7.091 2.312 -17.947 1.00 25.00 C ATOM 998 CG ASN A 64 -6.349 2.607 -19.220 1.00 25.00 C ATOM 999 OD1 ASN A 64 -5.901 1.699 -19.904 1.00 25.00 O ATOM 1000 ND2 ASN A 64 -6.206 3.858 -19.545 1.00 25.00 N ATOM 0 H ASN A 64 -9.106 3.892 -17.997 1.00 25.00 H new ATOM 0 HA ASN A 64 -8.540 1.190 -19.039 1.00 25.00 H new ATOM 0 HB2 ASN A 64 -7.081 3.197 -17.310 1.00 25.00 H new ATOM 0 HB3 ASN A 64 -6.574 1.522 -17.403 1.00 25.00 H new ATOM 0 HD21 ASN A 64 -5.705 4.109 -20.397 1.00 25.00 H new ATOM 0 HD22 ASN A 64 -6.595 4.588 -18.948 1.00 25.00 H new ATOM 1007 N GLY A 65 -10.435 1.371 -16.780 1.00 25.00 N ATOM 1008 CA GLY A 65 -11.151 0.836 -15.640 1.00 25.00 C ATOM 1009 C GLY A 65 -11.468 -0.629 -15.768 1.00 25.00 C ATOM 1010 O GLY A 65 -12.311 -1.152 -15.064 1.00 25.00 O ATOM 0 H GLY A 65 -11.023 1.909 -17.416 1.00 25.00 H new ATOM 0 HA2 GLY A 65 -10.557 0.994 -14.740 1.00 25.00 H new ATOM 0 HA3 GLY A 65 -12.080 1.391 -15.510 1.00 25.00 H new ATOM 1014 N ASP A 66 -10.770 -1.302 -16.655 1.00 25.00 N ATOM 1015 CA ASP A 66 -10.805 -2.763 -16.707 1.00 25.00 C ATOM 1016 C ASP A 66 -9.423 -3.331 -16.408 1.00 25.00 C ATOM 1017 O ASP A 66 -9.238 -4.538 -16.337 1.00 25.00 O ATOM 1018 CB ASP A 66 -11.343 -3.281 -18.039 1.00 25.00 C ATOM 1019 CG ASP A 66 -12.100 -4.598 -17.880 1.00 25.00 C ATOM 1020 OD1 ASP A 66 -12.695 -4.820 -16.787 1.00 25.00 O ATOM 1021 OD2 ASP A 66 -12.150 -5.382 -18.850 1.00 25.00 O ATOM 0 H ASP A 66 -10.168 -0.869 -17.355 1.00 25.00 H new ATOM 0 HA ASP A 66 -11.498 -3.107 -15.940 1.00 25.00 H new ATOM 0 HB2 ASP A 66 -12.005 -2.534 -18.477 1.00 25.00 H new ATOM 0 HB3 ASP A 66 -10.515 -3.421 -18.734 1.00 25.00 H new ATOM 1026 N GLY A 67 -8.449 -2.444 -16.240 1.00 25.00 N ATOM 1027 CA GLY A 67 -7.097 -2.850 -15.979 1.00 25.00 C ATOM 1028 C GLY A 67 -6.847 -2.929 -14.499 1.00 25.00 C ATOM 1029 O GLY A 67 -7.753 -3.097 -13.676 1.00 25.00 O ATOM 0 H GLY A 67 -8.585 -1.434 -16.283 1.00 25.00 H new ATOM 0 HA2 GLY A 67 -6.908 -3.820 -16.438 1.00 25.00 H new ATOM 0 HA3 GLY A 67 -6.404 -2.142 -16.433 1.00 25.00 H new ATOM 1033 N GLU A 68 -5.584 -2.805 -14.167 1.00 25.00 N ATOM 1034 CA GLU A 68 -5.097 -3.059 -12.825 1.00 25.00 C ATOM 1035 C GLU A 68 -3.835 -2.266 -12.567 1.00 25.00 C ATOM 1036 O GLU A 68 -3.287 -1.647 -13.484 1.00 25.00 O ATOM 1037 CB GLU A 68 -4.834 -4.565 -12.660 1.00 25.00 C ATOM 1038 CG GLU A 68 -4.004 -5.240 -13.795 1.00 25.00 C ATOM 1039 CD GLU A 68 -2.525 -5.405 -13.456 1.00 25.00 C ATOM 1040 OE1 GLU A 68 -1.915 -4.466 -12.912 1.00 25.00 O ATOM 1041 OE2 GLU A 68 -1.980 -6.502 -13.693 1.00 25.00 O ATOM 0 H GLU A 68 -4.856 -2.523 -14.824 1.00 25.00 H new ATOM 0 HA GLU A 68 -5.847 -2.745 -12.099 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -4.315 -4.722 -11.714 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -5.794 -5.076 -12.585 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -4.430 -6.220 -14.011 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -4.096 -4.645 -14.704 1.00 25.00 H new ATOM 1048 N VAL A 69 -3.414 -2.274 -11.312 1.00 25.00 N ATOM 1049 CA VAL A 69 -2.186 -1.639 -10.872 1.00 25.00 C ATOM 1050 C VAL A 69 -1.545 -2.476 -9.768 1.00 25.00 C ATOM 1051 O VAL A 69 -2.175 -3.373 -9.175 1.00 25.00 O ATOM 1052 CB VAL A 69 -2.430 -0.212 -10.287 1.00 25.00 C ATOM 1053 CG1 VAL A 69 -2.602 0.792 -11.405 1.00 25.00 C ATOM 1054 CG2 VAL A 69 -3.636 -0.194 -9.343 1.00 25.00 C ATOM 0 H VAL A 69 -3.927 -2.731 -10.558 1.00 25.00 H new ATOM 0 HA VAL A 69 -1.543 -1.559 -11.749 1.00 25.00 H new ATOM 0 HB VAL A 69 -1.554 0.068 -9.702 1.00 25.00 H new ATOM 0 HG11 VAL A 69 -2.771 1.782 -10.982 1.00 25.00 H new ATOM 0 HG12 VAL A 69 -1.702 0.809 -12.020 1.00 25.00 H new ATOM 0 HG13 VAL A 69 -3.457 0.509 -12.020 1.00 25.00 H new ATOM 0 HG21 VAL A 69 -3.778 0.814 -8.953 1.00 25.00 H new ATOM 0 HG22 VAL A 69 -4.529 -0.502 -9.887 1.00 25.00 H new ATOM 0 HG23 VAL A 69 -3.461 -0.881 -8.516 1.00 25.00 H new ATOM 1064 N ASP A 70 -0.313 -2.122 -9.450 1.00 25.00 N ATOM 1065 CA ASP A 70 0.435 -2.685 -8.338 1.00 25.00 C ATOM 1066 C ASP A 70 0.794 -1.488 -7.459 1.00 25.00 C ATOM 1067 O ASP A 70 0.375 -0.363 -7.748 1.00 25.00 O ATOM 1068 CB ASP A 70 1.713 -3.353 -8.834 1.00 25.00 C ATOM 1069 CG ASP A 70 2.820 -2.346 -9.087 1.00 25.00 C ATOM 1070 OD1 ASP A 70 2.578 -1.360 -9.809 1.00 25.00 O ATOM 1071 OD2 ASP A 70 3.853 -2.435 -8.390 1.00 25.00 O ATOM 0 H ASP A 70 0.209 -1.417 -9.971 1.00 25.00 H new ATOM 0 HA ASP A 70 -0.142 -3.442 -7.806 1.00 25.00 H new ATOM 0 HB2 ASP A 70 2.049 -4.084 -8.098 1.00 25.00 H new ATOM 0 HB3 ASP A 70 1.503 -3.900 -9.753 1.00 25.00 H new ATOM 1076 N PHE A 71 1.591 -1.708 -6.422 1.00 25.00 N ATOM 1077 CA PHE A 71 2.041 -0.615 -5.567 1.00 25.00 C ATOM 1078 C PHE A 71 2.715 0.530 -6.340 1.00 25.00 C ATOM 1079 O PHE A 71 2.403 1.686 -6.100 1.00 25.00 O ATOM 1080 CB PHE A 71 3.032 -1.137 -4.526 1.00 25.00 C ATOM 1081 CG PHE A 71 3.583 -0.062 -3.644 1.00 25.00 C ATOM 1082 CD1 PHE A 71 2.848 0.392 -2.543 1.00 25.00 C ATOM 1083 CD2 PHE A 71 4.835 0.533 -3.924 1.00 25.00 C ATOM 1084 CE1 PHE A 71 3.347 1.409 -1.720 1.00 25.00 C ATOM 1085 CE2 PHE A 71 5.345 1.560 -3.098 1.00 25.00 C ATOM 1086 CZ PHE A 71 4.596 1.988 -1.984 1.00 25.00 C ATOM 0 H PHE A 71 1.939 -2.628 -6.152 1.00 25.00 H new ATOM 0 HA PHE A 71 1.143 -0.216 -5.096 1.00 25.00 H new ATOM 0 HB2 PHE A 71 2.538 -1.887 -3.908 1.00 25.00 H new ATOM 0 HB3 PHE A 71 3.855 -1.636 -5.036 1.00 25.00 H new ATOM 0 HD1 PHE A 71 1.885 -0.047 -2.326 1.00 25.00 H new ATOM 0 HD2 PHE A 71 5.407 0.199 -4.777 1.00 25.00 H new ATOM 0 HE1 PHE A 71 2.766 1.750 -0.876 1.00 25.00 H new ATOM 0 HE2 PHE A 71 6.300 2.013 -3.319 1.00 25.00 H new ATOM 0 HZ PHE A 71 4.983 2.760 -1.335 1.00 25.00 H new ATOM 1096 N GLN A 72 3.632 0.219 -7.247 1.00 25.00 N ATOM 1097 CA GLN A 72 4.366 1.253 -7.986 1.00 25.00 C ATOM 1098 C GLN A 72 3.412 2.198 -8.702 1.00 25.00 C ATOM 1099 O GLN A 72 3.569 3.412 -8.631 1.00 25.00 O ATOM 1100 CB GLN A 72 5.310 0.623 -9.015 1.00 25.00 C ATOM 1101 CG GLN A 72 6.144 1.662 -9.726 1.00 25.00 C ATOM 1102 CD GLN A 72 7.268 1.080 -10.540 1.00 25.00 C ATOM 1103 OE1 GLN A 72 7.295 -0.087 -10.886 1.00 25.00 O ATOM 1104 NE2 GLN A 72 8.224 1.906 -10.829 1.00 25.00 N ATOM 0 H GLN A 72 3.889 -0.737 -7.492 1.00 25.00 H new ATOM 0 HA GLN A 72 4.949 1.817 -7.258 1.00 25.00 H new ATOM 0 HB2 GLN A 72 5.966 -0.090 -8.516 1.00 25.00 H new ATOM 0 HB3 GLN A 72 4.728 0.063 -9.746 1.00 25.00 H new ATOM 0 HG2 GLN A 72 5.499 2.248 -10.380 1.00 25.00 H new ATOM 0 HG3 GLN A 72 6.559 2.349 -8.989 1.00 25.00 H new ATOM 0 HE21 GLN A 72 8.169 2.877 -10.523 1.00 25.00 H new ATOM 0 HE22 GLN A 72 9.032 1.585 -11.363 1.00 25.00 H new ATOM 1113 N GLU A 73 2.420 1.650 -9.382 1.00 25.00 N ATOM 1114 CA GLU A 73 1.543 2.473 -10.217 1.00 25.00 C ATOM 1115 C GLU A 73 0.600 3.258 -9.350 1.00 25.00 C ATOM 1116 O GLU A 73 0.298 4.414 -9.612 1.00 25.00 O ATOM 1117 CB GLU A 73 0.715 1.626 -11.170 1.00 25.00 C ATOM 1118 CG GLU A 73 1.469 1.031 -12.326 1.00 25.00 C ATOM 1119 CD GLU A 73 2.226 2.088 -13.123 1.00 25.00 C ATOM 1120 OE1 GLU A 73 1.561 2.977 -13.701 1.00 25.00 O ATOM 1121 OE2 GLU A 73 3.475 2.052 -13.151 1.00 25.00 O ATOM 0 H GLU A 73 2.198 0.654 -9.378 1.00 25.00 H new ATOM 0 HA GLU A 73 2.182 3.138 -10.797 1.00 25.00 H new ATOM 0 HB2 GLU A 73 0.255 0.817 -10.603 1.00 25.00 H new ATOM 0 HB3 GLU A 73 -0.095 2.240 -11.564 1.00 25.00 H new ATOM 0 HG2 GLU A 73 2.172 0.286 -11.954 1.00 25.00 H new ATOM 0 HG3 GLU A 73 0.772 0.512 -12.984 1.00 25.00 H new ATOM 1128 N TYR A 74 0.153 2.633 -8.278 1.00 25.00 N ATOM 1129 CA TYR A 74 -0.731 3.291 -7.339 1.00 25.00 C ATOM 1130 C TYR A 74 -0.036 4.532 -6.791 1.00 25.00 C ATOM 1131 O TYR A 74 -0.644 5.590 -6.702 1.00 25.00 O ATOM 1132 CB TYR A 74 -1.084 2.304 -6.236 1.00 25.00 C ATOM 1133 CG TYR A 74 -1.200 2.889 -4.853 1.00 25.00 C ATOM 1134 CD1 TYR A 74 -2.358 3.581 -4.455 1.00 25.00 C ATOM 1135 CD2 TYR A 74 -0.162 2.720 -3.922 1.00 25.00 C ATOM 1136 CE1 TYR A 74 -2.499 4.068 -3.132 1.00 25.00 C ATOM 1137 CE2 TYR A 74 -0.297 3.231 -2.576 1.00 25.00 C ATOM 1138 CZ TYR A 74 -1.475 3.878 -2.208 1.00 25.00 C ATOM 1139 OH TYR A 74 -1.631 4.324 -0.923 1.00 25.00 O ATOM 0 H TYR A 74 0.388 1.670 -8.037 1.00 25.00 H new ATOM 0 HA TYR A 74 -1.655 3.611 -7.821 1.00 25.00 H new ATOM 0 HB2 TYR A 74 -2.030 1.826 -6.490 1.00 25.00 H new ATOM 0 HB3 TYR A 74 -0.326 1.521 -6.218 1.00 25.00 H new ATOM 0 HD1 TYR A 74 -3.152 3.744 -5.169 1.00 25.00 H new ATOM 0 HD2 TYR A 74 0.742 2.206 -4.213 1.00 25.00 H new ATOM 0 HE1 TYR A 74 -3.400 4.586 -2.840 1.00 25.00 H new ATOM 0 HE2 TYR A 74 0.506 3.113 -1.864 1.00 25.00 H new ATOM 0 HH TYR A 74 -1.149 3.730 -0.310 1.00 25.00 H new ATOM 1149 N VAL A 75 1.250 4.431 -6.491 1.00 25.00 N ATOM 1150 CA VAL A 75 1.990 5.568 -5.947 1.00 25.00 C ATOM 1151 C VAL A 75 2.230 6.638 -7.010 1.00 25.00 C ATOM 1152 O VAL A 75 2.156 7.828 -6.716 1.00 25.00 O ATOM 1153 CB VAL A 75 3.341 5.126 -5.335 1.00 25.00 C ATOM 1154 CG1 VAL A 75 4.136 6.332 -4.876 1.00 25.00 C ATOM 1155 CG2 VAL A 75 3.109 4.212 -4.143 1.00 25.00 C ATOM 0 H VAL A 75 1.803 3.582 -6.612 1.00 25.00 H new ATOM 0 HA VAL A 75 1.374 5.995 -5.156 1.00 25.00 H new ATOM 0 HB VAL A 75 3.898 4.592 -6.105 1.00 25.00 H new ATOM 0 HG11 VAL A 75 5.083 6.002 -4.448 1.00 25.00 H new ATOM 0 HG12 VAL A 75 4.330 6.985 -5.727 1.00 25.00 H new ATOM 0 HG13 VAL A 75 3.568 6.877 -4.122 1.00 25.00 H new ATOM 0 HG21 VAL A 75 4.069 3.910 -3.724 1.00 25.00 H new ATOM 0 HG22 VAL A 75 2.533 4.742 -3.385 1.00 25.00 H new ATOM 0 HG23 VAL A 75 2.559 3.328 -4.464 1.00 25.00 H new ATOM 1165 N VAL A 76 2.460 6.235 -8.250 1.00 25.00 N ATOM 1166 CA VAL A 76 2.633 7.198 -9.348 1.00 25.00 C ATOM 1167 C VAL A 76 1.389 8.086 -9.448 1.00 25.00 C ATOM 1168 O VAL A 76 1.484 9.316 -9.539 1.00 25.00 O ATOM 1169 CB VAL A 76 2.848 6.452 -10.707 1.00 25.00 C ATOM 1170 CG1 VAL A 76 2.790 7.424 -11.899 1.00 25.00 C ATOM 1171 CG2 VAL A 76 4.203 5.710 -10.720 1.00 25.00 C ATOM 0 H VAL A 76 2.532 5.257 -8.529 1.00 25.00 H new ATOM 0 HA VAL A 76 3.511 7.809 -9.141 1.00 25.00 H new ATOM 0 HB VAL A 76 2.039 5.728 -10.805 1.00 25.00 H new ATOM 0 HG11 VAL A 76 2.943 6.872 -12.826 1.00 25.00 H new ATOM 0 HG12 VAL A 76 1.815 7.912 -11.924 1.00 25.00 H new ATOM 0 HG13 VAL A 76 3.570 8.178 -11.792 1.00 25.00 H new ATOM 0 HG21 VAL A 76 4.329 5.199 -11.675 1.00 25.00 H new ATOM 0 HG22 VAL A 76 5.012 6.427 -10.583 1.00 25.00 H new ATOM 0 HG23 VAL A 76 4.225 4.979 -9.912 1.00 25.00 H new ATOM 1181 N LEU A 77 0.221 7.464 -9.397 1.00 25.00 N ATOM 1182 CA LEU A 77 -1.046 8.188 -9.517 1.00 25.00 C ATOM 1183 C LEU A 77 -1.307 9.038 -8.274 1.00 25.00 C ATOM 1184 O LEU A 77 -1.804 10.162 -8.368 1.00 25.00 O ATOM 1185 CB LEU A 77 -2.183 7.186 -9.724 1.00 25.00 C ATOM 1186 CG LEU A 77 -2.002 6.270 -10.951 1.00 25.00 C ATOM 1187 CD1 LEU A 77 -2.921 5.072 -10.803 1.00 25.00 C ATOM 1188 CD2 LEU A 77 -2.247 6.969 -12.281 1.00 25.00 C ATOM 0 H LEU A 77 0.119 6.457 -9.273 1.00 25.00 H new ATOM 0 HA LEU A 77 -0.991 8.858 -10.375 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -2.273 6.566 -8.832 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -3.120 7.733 -9.828 1.00 25.00 H new ATOM 0 HG LEU A 77 -0.958 5.959 -10.974 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -2.804 4.415 -11.665 1.00 25.00 H new ATOM 0 HD12 LEU A 77 -2.666 4.528 -9.894 1.00 25.00 H new ATOM 0 HD13 LEU A 77 -3.955 5.412 -10.744 1.00 25.00 H new ATOM 0 HD21 LEU A 77 -2.101 6.261 -13.097 1.00 25.00 H new ATOM 0 HD22 LEU A 77 -3.268 7.349 -12.309 1.00 25.00 H new ATOM 0 HD23 LEU A 77 -1.548 7.798 -12.391 1.00 25.00 H new ATOM 1200 N VAL A 78 -0.926 8.522 -7.117 1.00 25.00 N ATOM 1201 CA VAL A 78 -1.042 9.259 -5.856 1.00 25.00 C ATOM 1202 C VAL A 78 -0.162 10.513 -5.909 1.00 25.00 C ATOM 1203 O VAL A 78 -0.603 11.600 -5.530 1.00 25.00 O ATOM 1204 CB VAL A 78 -0.617 8.348 -4.657 1.00 25.00 C ATOM 1205 CG1 VAL A 78 -0.289 9.157 -3.419 1.00 25.00 C ATOM 1206 CG2 VAL A 78 -1.722 7.337 -4.329 1.00 25.00 C ATOM 0 H VAL A 78 -0.529 7.587 -7.019 1.00 25.00 H new ATOM 0 HA VAL A 78 -2.080 9.559 -5.711 1.00 25.00 H new ATOM 0 HB VAL A 78 0.284 7.817 -4.965 1.00 25.00 H new ATOM 0 HG11 VAL A 78 0.001 8.485 -2.611 1.00 25.00 H new ATOM 0 HG12 VAL A 78 0.533 9.838 -3.637 1.00 25.00 H new ATOM 0 HG13 VAL A 78 -1.165 9.731 -3.117 1.00 25.00 H new ATOM 0 HG21 VAL A 78 -1.407 6.713 -3.493 1.00 25.00 H new ATOM 0 HG22 VAL A 78 -2.635 7.870 -4.061 1.00 25.00 H new ATOM 0 HG23 VAL A 78 -1.911 6.709 -5.200 1.00 25.00 H new ATOM 1216 N ALA A 79 1.063 10.383 -6.397 1.00 25.00 N ATOM 1217 CA ALA A 79 1.988 11.508 -6.480 1.00 25.00 C ATOM 1218 C ALA A 79 1.458 12.555 -7.454 1.00 25.00 C ATOM 1219 O ALA A 79 1.565 13.753 -7.203 1.00 25.00 O ATOM 1220 CB ALA A 79 3.363 11.017 -6.928 1.00 25.00 C ATOM 0 H ALA A 79 1.443 9.503 -6.745 1.00 25.00 H new ATOM 0 HA ALA A 79 2.080 11.965 -5.495 1.00 25.00 H new ATOM 0 HB1 ALA A 79 4.049 11.862 -6.988 1.00 25.00 H new ATOM 0 HB2 ALA A 79 3.743 10.292 -6.208 1.00 25.00 H new ATOM 0 HB3 ALA A 79 3.280 10.547 -7.908 1.00 25.00 H new ATOM 1226 N ALA A 80 0.867 12.095 -8.546 1.00 25.00 N ATOM 1227 CA ALA A 80 0.298 12.983 -9.549 1.00 25.00 C ATOM 1228 C ALA A 80 -0.865 13.793 -8.956 1.00 25.00 C ATOM 1229 O ALA A 80 -0.972 15.001 -9.162 1.00 25.00 O ATOM 1230 CB ALA A 80 -0.166 12.161 -10.752 1.00 25.00 C ATOM 0 H ALA A 80 0.768 11.103 -8.761 1.00 25.00 H new ATOM 0 HA ALA A 80 1.060 13.689 -9.877 1.00 25.00 H new ATOM 0 HB1 ALA A 80 -0.592 12.825 -11.504 1.00 25.00 H new ATOM 0 HB2 ALA A 80 0.684 11.628 -11.178 1.00 25.00 H new ATOM 0 HB3 ALA A 80 -0.921 11.443 -10.432 1.00 25.00 H new ATOM 1236 N LEU A 81 -1.717 13.133 -8.188 1.00 25.00 N ATOM 1237 CA LEU A 81 -2.837 13.816 -7.545 1.00 25.00 C ATOM 1238 C LEU A 81 -2.302 14.786 -6.485 1.00 25.00 C ATOM 1239 O LEU A 81 -2.803 15.899 -6.322 1.00 25.00 O ATOM 1240 CB LEU A 81 -3.786 12.780 -6.927 1.00 25.00 C ATOM 1241 CG LEU A 81 -5.232 13.267 -6.740 1.00 25.00 C ATOM 1242 CD1 LEU A 81 -6.188 12.090 -6.882 1.00 25.00 C ATOM 1243 CD2 LEU A 81 -5.457 13.952 -5.398 1.00 25.00 C ATOM 0 H LEU A 81 -1.659 12.133 -7.993 1.00 25.00 H new ATOM 0 HA LEU A 81 -3.398 14.391 -8.282 1.00 25.00 H new ATOM 0 HB2 LEU A 81 -3.795 11.892 -7.559 1.00 25.00 H new ATOM 0 HB3 LEU A 81 -3.390 12.477 -5.958 1.00 25.00 H new ATOM 0 HG LEU A 81 -5.424 14.010 -7.514 1.00 25.00 H new ATOM 0 HD11 LEU A 81 -7.213 12.436 -6.749 1.00 25.00 H new ATOM 0 HD12 LEU A 81 -6.079 11.650 -7.873 1.00 25.00 H new ATOM 0 HD13 LEU A 81 -5.957 11.340 -6.125 1.00 25.00 H new ATOM 0 HD21 LEU A 81 -6.496 14.274 -5.324 1.00 25.00 H new ATOM 0 HD22 LEU A 81 -5.235 13.254 -4.591 1.00 25.00 H new ATOM 0 HD23 LEU A 81 -4.802 14.819 -5.318 1.00 25.00 H new ATOM 1255 N THR A 82 -1.245 14.378 -5.802 1.00 25.00 N ATOM 1256 CA THR A 82 -0.624 15.216 -4.783 1.00 25.00 C ATOM 1257 C THR A 82 -0.049 16.504 -5.379 1.00 25.00 C ATOM 1258 O THR A 82 -0.254 17.579 -4.823 1.00 25.00 O ATOM 1259 CB THR A 82 0.488 14.446 -4.023 1.00 25.00 C ATOM 1260 OG1 THR A 82 -0.066 13.264 -3.441 1.00 25.00 O ATOM 1261 CG2 THR A 82 1.075 15.281 -2.902 1.00 25.00 C ATOM 0 H THR A 82 -0.797 13.471 -5.933 1.00 25.00 H new ATOM 0 HA THR A 82 -1.410 15.487 -4.078 1.00 25.00 H new ATOM 0 HB THR A 82 1.272 14.205 -4.741 1.00 25.00 H new ATOM 0 HG1 THR A 82 -0.283 12.622 -4.149 1.00 25.00 H new ATOM 0 HG21 THR A 82 1.851 14.711 -2.391 1.00 25.00 H new ATOM 0 HG22 THR A 82 1.507 16.192 -3.315 1.00 25.00 H new ATOM 0 HG23 THR A 82 0.290 15.541 -2.193 1.00 25.00 H new ATOM 1269 N VAL A 83 0.634 16.452 -6.520 1.00 25.00 N ATOM 1270 CA VAL A 83 1.165 17.685 -7.087 1.00 25.00 C ATOM 1271 C VAL A 83 0.065 18.580 -7.645 1.00 25.00 C ATOM 1272 O VAL A 83 0.200 19.805 -7.617 1.00 25.00 O ATOM 1273 CB VAL A 83 2.280 17.443 -8.130 1.00 25.00 C ATOM 1274 CG1 VAL A 83 3.493 16.848 -7.441 1.00 25.00 C ATOM 1275 CG2 VAL A 83 1.821 16.562 -9.287 1.00 25.00 C ATOM 0 H VAL A 83 0.827 15.603 -7.052 1.00 25.00 H new ATOM 0 HA VAL A 83 1.630 18.215 -6.256 1.00 25.00 H new ATOM 0 HB VAL A 83 2.543 18.406 -8.568 1.00 25.00 H new ATOM 0 HG11 VAL A 83 4.281 16.676 -8.175 1.00 25.00 H new ATOM 0 HG12 VAL A 83 3.852 17.538 -6.677 1.00 25.00 H new ATOM 0 HG13 VAL A 83 3.219 15.902 -6.975 1.00 25.00 H new ATOM 0 HG21 VAL A 83 2.644 16.425 -9.989 1.00 25.00 H new ATOM 0 HG22 VAL A 83 1.507 15.592 -8.903 1.00 25.00 H new ATOM 0 HG23 VAL A 83 0.984 17.039 -9.797 1.00 25.00 H new ATOM 1285 N ALA A 84 -1.077 18.001 -8.004 1.00 25.00 N ATOM 1286 CA ALA A 84 -2.224 18.794 -8.446 1.00 25.00 C ATOM 1287 C ALA A 84 -2.785 19.641 -7.294 1.00 25.00 C ATOM 1288 O ALA A 84 -3.521 20.608 -7.504 1.00 25.00 O ATOM 1289 CB ALA A 84 -3.318 17.886 -9.025 1.00 25.00 C ATOM 0 H ALA A 84 -1.234 16.993 -7.999 1.00 25.00 H new ATOM 0 HA ALA A 84 -1.883 19.470 -9.230 1.00 25.00 H new ATOM 0 HB1 ALA A 84 -4.163 18.495 -9.348 1.00 25.00 H new ATOM 0 HB2 ALA A 84 -2.920 17.335 -9.877 1.00 25.00 H new ATOM 0 HB3 ALA A 84 -3.649 17.182 -8.261 1.00 25.00 H new ATOM 1450 N SER B 2 -5.722 12.371 6.019 1.00 25.00 N ATOM 1451 CA SER B 2 -5.864 10.921 6.181 1.00 25.00 C ATOM 1452 C SER B 2 -4.489 10.278 6.380 1.00 25.00 C ATOM 1453 O SER B 2 -3.461 10.942 6.217 1.00 25.00 O ATOM 1454 CB SER B 2 -6.508 10.332 4.929 1.00 25.00 C ATOM 1455 OG SER B 2 -7.615 11.119 4.529 1.00 25.00 O ATOM 0 HA SER B 2 -6.488 10.722 7.052 1.00 25.00 H new ATOM 0 HB2 SER B 2 -5.776 10.286 4.123 1.00 25.00 H new ATOM 0 HB3 SER B 2 -6.832 9.310 5.125 1.00 25.00 H new ATOM 0 HG SER B 2 -7.473 12.048 4.806 1.00 25.00 H new ATOM 1461 N GLU B 3 -4.456 8.988 6.683 1.00 25.00 N ATOM 1462 CA GLU B 3 -3.182 8.290 6.888 1.00 25.00 C ATOM 1463 C GLU B 3 -2.323 8.350 5.615 1.00 25.00 C ATOM 1464 O GLU B 3 -1.131 8.631 5.670 1.00 25.00 O ATOM 1465 CB GLU B 3 -3.445 6.835 7.295 1.00 25.00 C ATOM 1466 CG GLU B 3 -2.228 6.135 7.871 1.00 25.00 C ATOM 1467 CD GLU B 3 -2.499 4.676 8.217 1.00 25.00 C ATOM 1468 OE1 GLU B 3 -3.360 4.423 9.089 1.00 25.00 O ATOM 1469 OE2 GLU B 3 -1.847 3.783 7.627 1.00 25.00 O ATOM 0 H GLU B 3 -5.284 8.403 6.793 1.00 25.00 H new ATOM 0 HA GLU B 3 -2.633 8.785 7.689 1.00 25.00 H new ATOM 0 HB2 GLU B 3 -4.249 6.812 8.031 1.00 25.00 H new ATOM 0 HB3 GLU B 3 -3.794 6.280 6.424 1.00 25.00 H new ATOM 0 HG2 GLU B 3 -1.409 6.188 7.153 1.00 25.00 H new ATOM 0 HG3 GLU B 3 -1.901 6.662 8.767 1.00 25.00 H new ATOM 1476 N LEU B 4 -2.950 8.163 4.461 1.00 25.00 N ATOM 1477 CA LEU B 4 -2.236 8.257 3.186 1.00 25.00 C ATOM 1478 C LEU B 4 -1.729 9.684 2.967 1.00 25.00 C ATOM 1479 O LEU B 4 -0.615 9.913 2.524 1.00 25.00 O ATOM 1480 CB LEU B 4 -3.183 7.854 2.042 1.00 25.00 C ATOM 1481 CG LEU B 4 -2.550 7.409 0.709 1.00 25.00 C ATOM 1482 CD1 LEU B 4 -3.661 6.933 -0.225 1.00 25.00 C ATOM 1483 CD2 LEU B 4 -1.772 8.492 -0.007 1.00 25.00 C ATOM 0 H LEU B 4 -3.943 7.947 4.377 1.00 25.00 H new ATOM 0 HA LEU B 4 -1.379 7.584 3.204 1.00 25.00 H new ATOM 0 HB2 LEU B 4 -3.815 7.041 2.401 1.00 25.00 H new ATOM 0 HB3 LEU B 4 -3.838 8.700 1.836 1.00 25.00 H new ATOM 0 HG LEU B 4 -1.840 6.621 0.959 1.00 25.00 H new ATOM 0 HD11 LEU B 4 -3.228 6.615 -1.173 1.00 25.00 H new ATOM 0 HD12 LEU B 4 -4.187 6.095 0.233 1.00 25.00 H new ATOM 0 HD13 LEU B 4 -4.362 7.749 -0.402 1.00 25.00 H new ATOM 0 HD21 LEU B 4 -1.361 8.092 -0.934 1.00 25.00 H new ATOM 0 HD22 LEU B 4 -2.435 9.327 -0.234 1.00 25.00 H new ATOM 0 HD23 LEU B 4 -0.958 8.838 0.631 1.00 25.00 H new ATOM 1495 N GLU B 5 -2.561 10.659 3.272 1.00 25.00 N ATOM 1496 CA GLU B 5 -2.218 12.054 3.020 1.00 25.00 C ATOM 1497 C GLU B 5 -1.059 12.525 3.888 1.00 25.00 C ATOM 1498 O GLU B 5 -0.217 13.294 3.434 1.00 25.00 O ATOM 1499 CB GLU B 5 -3.444 12.917 3.257 1.00 25.00 C ATOM 1500 CG GLU B 5 -4.545 12.600 2.265 1.00 25.00 C ATOM 1501 CD GLU B 5 -5.818 13.359 2.531 1.00 25.00 C ATOM 1502 OE1 GLU B 5 -5.942 13.997 3.604 1.00 25.00 O ATOM 1503 OE2 GLU B 5 -6.712 13.312 1.667 1.00 25.00 O ATOM 0 H GLU B 5 -3.479 10.517 3.694 1.00 25.00 H new ATOM 0 HA GLU B 5 -1.893 12.145 1.983 1.00 25.00 H new ATOM 0 HB2 GLU B 5 -3.810 12.760 4.272 1.00 25.00 H new ATOM 0 HB3 GLU B 5 -3.171 13.969 3.176 1.00 25.00 H new ATOM 0 HG2 GLU B 5 -4.196 12.830 1.258 1.00 25.00 H new ATOM 0 HG3 GLU B 5 -4.754 11.531 2.293 1.00 25.00 H new ATOM 1510 N THR B 6 -0.980 12.030 5.115 1.00 25.00 N ATOM 1511 CA THR B 6 0.143 12.377 5.985 1.00 25.00 C ATOM 1512 C THR B 6 1.392 11.619 5.554 1.00 25.00 C ATOM 1513 O THR B 6 2.507 12.118 5.695 1.00 25.00 O ATOM 1514 CB THR B 6 -0.153 12.098 7.467 1.00 25.00 C ATOM 1515 OG1 THR B 6 -0.692 10.785 7.620 1.00 25.00 O ATOM 1516 CG2 THR B 6 -1.165 13.077 8.000 1.00 25.00 C ATOM 0 H THR B 6 -1.665 11.398 5.529 1.00 25.00 H new ATOM 0 HA THR B 6 0.308 13.450 5.884 1.00 25.00 H new ATOM 0 HB THR B 6 0.783 12.194 8.017 1.00 25.00 H new ATOM 0 HG1 THR B 6 -0.549 10.275 6.796 1.00 25.00 H new ATOM 0 HG21 THR B 6 -1.361 12.862 9.051 1.00 25.00 H new ATOM 0 HG22 THR B 6 -0.777 14.091 7.903 1.00 25.00 H new ATOM 0 HG23 THR B 6 -2.091 12.988 7.433 1.00 25.00 H new ATOM 1524 N ALA B 7 1.211 10.461 4.936 1.00 25.00 N ATOM 1525 CA ALA B 7 2.340 9.751 4.356 1.00 25.00 C ATOM 1526 C ALA B 7 2.935 10.642 3.260 1.00 25.00 C ATOM 1527 O ALA B 7 4.138 10.844 3.191 1.00 25.00 O ATOM 1528 CB ALA B 7 1.892 8.401 3.785 1.00 25.00 C ATOM 0 H ALA B 7 0.308 9.999 4.824 1.00 25.00 H new ATOM 0 HA ALA B 7 3.092 9.542 5.117 1.00 25.00 H new ATOM 0 HB1 ALA B 7 2.751 7.885 3.356 1.00 25.00 H new ATOM 0 HB2 ALA B 7 1.464 7.793 4.582 1.00 25.00 H new ATOM 0 HB3 ALA B 7 1.142 8.564 3.011 1.00 25.00 H new ATOM 1534 N MET B 8 2.078 11.220 2.431 1.00 25.00 N ATOM 1535 CA MET B 8 2.551 12.076 1.342 1.00 25.00 C ATOM 1536 C MET B 8 3.137 13.394 1.836 1.00 25.00 C ATOM 1537 O MET B 8 4.087 13.901 1.240 1.00 25.00 O ATOM 1538 CB MET B 8 1.440 12.379 0.341 1.00 25.00 C ATOM 1539 CG MET B 8 0.853 11.142 -0.320 1.00 25.00 C ATOM 1540 SD MET B 8 2.105 9.978 -0.934 1.00 25.00 S ATOM 1541 CE MET B 8 2.827 10.850 -2.308 1.00 25.00 C ATOM 0 H MET B 8 1.065 11.117 2.486 1.00 25.00 H new ATOM 0 HA MET B 8 3.343 11.508 0.853 1.00 25.00 H new ATOM 0 HB2 MET B 8 0.643 12.920 0.851 1.00 25.00 H new ATOM 0 HB3 MET B 8 1.831 13.041 -0.432 1.00 25.00 H new ATOM 0 HG2 MET B 8 0.212 10.628 0.396 1.00 25.00 H new ATOM 0 HG3 MET B 8 0.219 11.451 -1.151 1.00 25.00 H new ATOM 0 HE1 MET B 8 2.798 10.218 -3.196 1.00 25.00 H new ATOM 0 HE2 MET B 8 2.264 11.765 -2.495 1.00 25.00 H new ATOM 0 HE3 MET B 8 3.862 11.102 -2.076 1.00 25.00 H new ATOM 1551 N GLU B 9 2.610 13.958 2.916 1.00 25.00 N ATOM 1552 CA GLU B 9 3.163 15.219 3.424 1.00 25.00 C ATOM 1553 C GLU B 9 4.564 14.970 4.009 1.00 25.00 C ATOM 1554 O GLU B 9 5.446 15.820 3.907 1.00 25.00 O ATOM 1555 CB GLU B 9 2.182 15.912 4.398 1.00 25.00 C ATOM 1556 CG GLU B 9 2.278 15.560 5.868 1.00 25.00 C ATOM 1557 CD GLU B 9 1.162 16.221 6.682 1.00 25.00 C ATOM 1558 OE1 GLU B 9 -0.042 15.955 6.392 1.00 25.00 O ATOM 1559 OE2 GLU B 9 1.467 17.010 7.588 1.00 25.00 O ATOM 0 H GLU B 9 1.825 13.581 3.447 1.00 25.00 H new ATOM 0 HA GLU B 9 3.287 15.926 2.604 1.00 25.00 H new ATOM 0 HB2 GLU B 9 2.320 16.989 4.302 1.00 25.00 H new ATOM 0 HB3 GLU B 9 1.168 15.690 4.066 1.00 25.00 H new ATOM 0 HG2 GLU B 9 2.224 14.478 5.988 1.00 25.00 H new ATOM 0 HG3 GLU B 9 3.247 15.875 6.255 1.00 25.00 H new ATOM 1566 N THR B 10 4.801 13.754 4.488 1.00 25.00 N ATOM 1567 CA THR B 10 6.133 13.345 4.926 1.00 25.00 C ATOM 1568 C THR B 10 7.102 13.331 3.740 1.00 25.00 C ATOM 1569 O THR B 10 8.220 13.837 3.833 1.00 25.00 O ATOM 1570 CB THR B 10 6.104 11.939 5.568 1.00 25.00 C ATOM 1571 OG1 THR B 10 5.142 11.922 6.628 1.00 25.00 O ATOM 1572 CG2 THR B 10 7.442 11.555 6.140 1.00 25.00 C ATOM 0 H THR B 10 4.087 13.032 4.584 1.00 25.00 H new ATOM 0 HA THR B 10 6.470 14.066 5.670 1.00 25.00 H new ATOM 0 HB THR B 10 5.842 11.226 4.786 1.00 25.00 H new ATOM 0 HG1 THR B 10 4.239 11.978 6.251 1.00 25.00 H new ATOM 0 HG21 THR B 10 7.377 10.560 6.581 1.00 25.00 H new ATOM 0 HG22 THR B 10 8.190 11.552 5.347 1.00 25.00 H new ATOM 0 HG23 THR B 10 7.730 12.274 6.907 1.00 25.00 H new ATOM 1580 N LEU B 11 6.662 12.803 2.603 1.00 25.00 N ATOM 1581 CA LEU B 11 7.510 12.771 1.402 1.00 25.00 C ATOM 1582 C LEU B 11 7.881 14.203 0.996 1.00 25.00 C ATOM 1583 O LEU B 11 9.000 14.444 0.552 1.00 25.00 O ATOM 1584 CB LEU B 11 6.811 12.064 0.215 1.00 25.00 C ATOM 1585 CG LEU B 11 6.909 10.538 0.021 1.00 25.00 C ATOM 1586 CD1 LEU B 11 8.319 10.095 -0.250 1.00 25.00 C ATOM 1587 CD2 LEU B 11 6.378 9.795 1.171 1.00 25.00 C ATOM 0 H LEU B 11 5.736 12.394 2.481 1.00 25.00 H new ATOM 0 HA LEU B 11 8.407 12.202 1.647 1.00 25.00 H new ATOM 0 HB2 LEU B 11 5.751 12.309 0.279 1.00 25.00 H new ATOM 0 HB3 LEU B 11 7.190 12.525 -0.697 1.00 25.00 H new ATOM 0 HG LEU B 11 6.295 10.312 -0.851 1.00 25.00 H new ATOM 0 HD11 LEU B 11 8.342 9.013 -0.380 1.00 25.00 H new ATOM 0 HD12 LEU B 11 8.684 10.577 -1.157 1.00 25.00 H new ATOM 0 HD13 LEU B 11 8.955 10.373 0.590 1.00 25.00 H new ATOM 0 HD21 LEU B 11 6.469 8.725 0.986 1.00 25.00 H new ATOM 0 HD22 LEU B 11 6.942 10.058 2.066 1.00 25.00 H new ATOM 0 HD23 LEU B 11 5.328 10.050 1.316 1.00 25.00 H new ATOM 1599 N ILE B 12 6.960 15.150 1.162 1.00 25.00 N ATOM 1600 CA ILE B 12 7.233 16.555 0.816 1.00 25.00 C ATOM 1601 C ILE B 12 8.340 17.095 1.721 1.00 25.00 C ATOM 1602 O ILE B 12 9.279 17.732 1.235 1.00 25.00 O ATOM 1603 CB ILE B 12 5.958 17.479 0.958 1.00 25.00 C ATOM 1604 CG1 ILE B 12 4.861 17.022 -0.021 1.00 25.00 C ATOM 1605 CG2 ILE B 12 6.324 18.970 0.668 1.00 25.00 C ATOM 1606 CD1 ILE B 12 3.501 17.701 0.143 1.00 25.00 C ATOM 0 H ILE B 12 6.024 14.979 1.530 1.00 25.00 H new ATOM 0 HA ILE B 12 7.538 16.574 -0.230 1.00 25.00 H new ATOM 0 HB ILE B 12 5.590 17.397 1.981 1.00 25.00 H new ATOM 0 HG12 ILE B 12 5.213 17.195 -1.038 1.00 25.00 H new ATOM 0 HG13 ILE B 12 4.725 15.946 0.091 1.00 25.00 H new ATOM 0 HG21 ILE B 12 5.433 19.590 0.771 1.00 25.00 H new ATOM 0 HG22 ILE B 12 7.082 19.303 1.377 1.00 25.00 H new ATOM 0 HG23 ILE B 12 6.713 19.059 -0.347 1.00 25.00 H new ATOM 0 HD11 ILE B 12 2.805 17.304 -0.596 1.00 25.00 H new ATOM 0 HD12 ILE B 12 3.116 17.508 1.144 1.00 25.00 H new ATOM 0 HD13 ILE B 12 3.611 18.776 -0.002 1.00 25.00 H new ATOM 1618 N ASN B 13 8.237 16.840 3.020 1.00 25.00 N ATOM 1619 CA ASN B 13 9.223 17.347 3.972 1.00 25.00 C ATOM 1620 C ASN B 13 10.629 16.824 3.656 1.00 25.00 C ATOM 1621 O ASN B 13 11.582 17.595 3.577 1.00 25.00 O ATOM 1622 CB ASN B 13 8.853 16.927 5.399 1.00 25.00 C ATOM 1623 CG ASN B 13 7.576 17.575 5.890 1.00 25.00 C ATOM 1624 OD1 ASN B 13 7.338 18.742 5.659 1.00 25.00 O ATOM 1625 ND2 ASN B 13 6.761 16.797 6.554 1.00 25.00 N ATOM 0 H ASN B 13 7.487 16.289 3.438 1.00 25.00 H new ATOM 0 HA ASN B 13 9.222 18.434 3.889 1.00 25.00 H new ATOM 0 HB2 ASN B 13 8.743 15.843 5.437 1.00 25.00 H new ATOM 0 HB3 ASN B 13 9.669 17.188 6.073 1.00 25.00 H new ATOM 0 HD21 ASN B 13 5.877 17.165 6.905 1.00 25.00 H new ATOM 0 HD22 ASN B 13 7.009 15.822 6.721 1.00 25.00 H new ATOM 1632 N VAL B 14 10.726 15.530 3.422 1.00 25.00 N ATOM 1633 CA VAL B 14 12.009 14.886 3.125 1.00 25.00 C ATOM 1634 C VAL B 14 12.583 15.424 1.812 1.00 25.00 C ATOM 1635 O VAL B 14 13.772 15.745 1.726 1.00 25.00 O ATOM 1636 CB VAL B 14 11.850 13.345 3.075 1.00 25.00 C ATOM 1637 CG1 VAL B 14 13.147 12.687 2.626 1.00 25.00 C ATOM 1638 CG2 VAL B 14 11.436 12.788 4.447 1.00 25.00 C ATOM 0 H VAL B 14 9.930 14.892 3.430 1.00 25.00 H new ATOM 0 HA VAL B 14 12.710 15.123 3.925 1.00 25.00 H new ATOM 0 HB VAL B 14 11.065 13.116 2.354 1.00 25.00 H new ATOM 0 HG11 VAL B 14 13.015 11.605 2.597 1.00 25.00 H new ATOM 0 HG12 VAL B 14 13.412 13.047 1.632 1.00 25.00 H new ATOM 0 HG13 VAL B 14 13.943 12.937 3.327 1.00 25.00 H new ATOM 0 HG21 VAL B 14 11.331 11.705 4.383 1.00 25.00 H new ATOM 0 HG22 VAL B 14 12.198 13.036 5.186 1.00 25.00 H new ATOM 0 HG23 VAL B 14 10.484 13.227 4.746 1.00 25.00 H new ATOM 1648 N PHE B 15 11.745 15.551 0.796 1.00 25.00 N ATOM 1649 CA PHE B 15 12.193 16.084 -0.489 1.00 25.00 C ATOM 1650 C PHE B 15 12.723 17.509 -0.325 1.00 25.00 C ATOM 1651 O PHE B 15 13.798 17.860 -0.828 1.00 25.00 O ATOM 1652 CB PHE B 15 11.034 16.104 -1.480 1.00 25.00 C ATOM 1653 CG PHE B 15 11.396 16.695 -2.806 1.00 25.00 C ATOM 1654 CD1 PHE B 15 12.156 15.962 -3.733 1.00 25.00 C ATOM 1655 CD2 PHE B 15 10.993 18.002 -3.132 1.00 25.00 C ATOM 1656 CE1 PHE B 15 12.509 16.523 -4.980 1.00 25.00 C ATOM 1657 CE2 PHE B 15 11.343 18.572 -4.373 1.00 25.00 C ATOM 1658 CZ PHE B 15 12.105 17.832 -5.296 1.00 25.00 C ATOM 0 H PHE B 15 10.758 15.296 0.831 1.00 25.00 H new ATOM 0 HA PHE B 15 12.990 15.441 -0.862 1.00 25.00 H new ATOM 0 HB2 PHE B 15 10.676 15.085 -1.630 1.00 25.00 H new ATOM 0 HB3 PHE B 15 10.208 16.672 -1.051 1.00 25.00 H new ATOM 0 HD1 PHE B 15 12.474 14.959 -3.489 1.00 25.00 H new ATOM 0 HD2 PHE B 15 10.410 18.574 -2.425 1.00 25.00 H new ATOM 0 HE1 PHE B 15 13.087 15.948 -5.688 1.00 25.00 H new ATOM 0 HE2 PHE B 15 11.027 19.576 -4.615 1.00 25.00 H new ATOM 0 HZ PHE B 15 12.379 18.269 -6.245 1.00 25.00 H new ATOM 1668 N HIS B 16 11.958 18.342 0.367 1.00 25.00 N ATOM 1669 CA HIS B 16 12.286 19.758 0.484 1.00 25.00 C ATOM 1670 C HIS B 16 13.523 20.017 1.340 1.00 25.00 C ATOM 1671 O HIS B 16 14.149 21.075 1.225 1.00 25.00 O ATOM 1672 CB HIS B 16 11.095 20.538 1.036 1.00 25.00 C ATOM 1673 CG HIS B 16 11.143 22.000 0.713 1.00 25.00 C ATOM 1674 ND1 HIS B 16 10.895 22.522 -0.532 1.00 25.00 N ATOM 1675 CD2 HIS B 16 11.428 23.075 1.498 1.00 25.00 C ATOM 1676 CE1 HIS B 16 11.025 23.842 -0.464 1.00 25.00 C ATOM 1677 NE2 HIS B 16 11.361 24.236 0.749 1.00 25.00 N ATOM 0 H HIS B 16 11.107 18.063 0.856 1.00 25.00 H new ATOM 0 HA HIS B 16 12.519 20.105 -0.523 1.00 25.00 H new ATOM 0 HB2 HIS B 16 10.174 20.114 0.634 1.00 25.00 H new ATOM 0 HB3 HIS B 16 11.058 20.413 2.118 1.00 25.00 H new ATOM 0 HD2 HIS B 16 11.670 23.028 2.549 1.00 25.00 H new ATOM 0 HE1 HIS B 16 10.874 24.510 -1.299 1.00 25.00 H new ATOM 0 HE2 HIS B 16 11.534 25.190 1.066 1.00 25.00 H new ATOM 1685 N ALA B 17 13.888 19.047 2.169 1.00 25.00 N ATOM 1686 CA ALA B 17 15.066 19.170 3.027 1.00 25.00 C ATOM 1687 C ALA B 17 16.350 19.333 2.199 1.00 25.00 C ATOM 1688 O ALA B 17 17.219 20.129 2.542 1.00 25.00 O ATOM 1689 CB ALA B 17 15.171 17.940 3.943 1.00 25.00 C ATOM 0 H ALA B 17 13.386 18.164 2.267 1.00 25.00 H new ATOM 0 HA ALA B 17 14.953 20.066 3.637 1.00 25.00 H new ATOM 0 HB1 ALA B 17 16.050 18.035 4.581 1.00 25.00 H new ATOM 0 HB2 ALA B 17 14.278 17.871 4.564 1.00 25.00 H new ATOM 0 HB3 ALA B 17 15.260 17.040 3.335 1.00 25.00 H new ATOM 1695 N HIS B 18 16.457 18.585 1.106 1.00 25.00 N ATOM 1696 CA HIS B 18 17.641 18.658 0.239 1.00 25.00 C ATOM 1697 C HIS B 18 17.435 19.655 -0.905 1.00 25.00 C ATOM 1698 O HIS B 18 18.394 20.070 -1.551 1.00 25.00 O ATOM 1699 CB HIS B 18 17.947 17.279 -0.364 1.00 25.00 C ATOM 1700 CG HIS B 18 18.363 16.251 0.646 1.00 25.00 C ATOM 1701 ND1 HIS B 18 19.627 15.713 0.732 1.00 25.00 N ATOM 1702 CD2 HIS B 18 17.651 15.629 1.626 1.00 25.00 C ATOM 1703 CE1 HIS B 18 19.635 14.829 1.722 1.00 25.00 C ATOM 1704 NE2 HIS B 18 18.458 14.739 2.306 1.00 25.00 N ATOM 0 H HIS B 18 15.746 17.923 0.796 1.00 25.00 H new ATOM 0 HA HIS B 18 18.475 18.991 0.857 1.00 25.00 H new ATOM 0 HB2 HIS B 18 17.063 16.920 -0.890 1.00 25.00 H new ATOM 0 HB3 HIS B 18 18.738 17.386 -1.106 1.00 25.00 H new ATOM 0 HD1 HIS B 18 20.421 15.952 0.138 1.00 25.00 H new ATOM 0 HD2 HIS B 18 16.607 15.806 1.840 1.00 25.00 H new ATOM 0 HE1 HIS B 18 20.501 14.254 2.013 1.00 25.00 H new ATOM 1712 N SER B 19 16.183 20.001 -1.176 1.00 25.00 N ATOM 1713 CA SER B 19 15.840 20.857 -2.320 1.00 25.00 C ATOM 1714 C SER B 19 16.498 22.235 -2.280 1.00 25.00 C ATOM 1715 O SER B 19 16.710 22.811 -1.211 1.00 25.00 O ATOM 1716 CB SER B 19 14.328 21.048 -2.397 1.00 25.00 C ATOM 1717 OG SER B 19 13.673 19.827 -2.683 1.00 25.00 O ATOM 0 H SER B 19 15.381 19.704 -0.621 1.00 25.00 H new ATOM 0 HA SER B 19 16.221 20.338 -3.200 1.00 25.00 H new ATOM 0 HB2 SER B 19 13.961 21.448 -1.452 1.00 25.00 H new ATOM 0 HB3 SER B 19 14.090 21.781 -3.168 1.00 25.00 H new ATOM 0 HG SER B 19 13.837 19.190 -1.957 1.00 25.00 H new ATOM 1723 N GLY B 20 16.770 22.783 -3.457 1.00 25.00 N ATOM 1724 CA GLY B 20 17.362 24.109 -3.559 1.00 25.00 C ATOM 1725 C GLY B 20 18.863 24.139 -3.738 1.00 25.00 C ATOM 1726 O GLY B 20 19.461 25.211 -3.658 1.00 25.00 O ATOM 0 H GLY B 20 16.590 22.330 -4.353 1.00 25.00 H new ATOM 0 HA2 GLY B 20 16.903 24.629 -4.400 1.00 25.00 H new ATOM 0 HA3 GLY B 20 17.109 24.671 -2.660 1.00 25.00 H new ATOM 1829 N LYS B 27 12.708 22.479 -6.287 1.00 25.00 N ATOM 1830 CA LYS B 27 13.305 21.404 -7.051 1.00 25.00 C ATOM 1831 C LYS B 27 14.501 20.827 -6.328 1.00 25.00 C ATOM 1832 O LYS B 27 15.097 21.475 -5.462 1.00 25.00 O ATOM 1833 CB LYS B 27 13.860 21.994 -8.341 1.00 25.00 C ATOM 1834 CG LYS B 27 12.824 22.680 -9.171 1.00 25.00 C ATOM 1835 CD LYS B 27 11.734 21.738 -9.574 1.00 25.00 C ATOM 1836 CE LYS B 27 10.874 22.285 -10.698 1.00 25.00 C ATOM 1837 NZ LYS B 27 11.682 22.684 -11.886 1.00 25.00 N ATOM 0 HA LYS B 27 12.546 20.639 -7.214 1.00 25.00 H new ATOM 0 HB2 LYS B 27 14.649 22.705 -8.097 1.00 25.00 H new ATOM 0 HB3 LYS B 27 14.318 21.198 -8.929 1.00 25.00 H new ATOM 0 HG2 LYS B 27 12.399 23.512 -8.610 1.00 25.00 H new ATOM 0 HG3 LYS B 27 13.290 23.102 -10.062 1.00 25.00 H new ATOM 0 HD2 LYS B 27 12.175 20.791 -9.887 1.00 25.00 H new ATOM 0 HD3 LYS B 27 11.104 21.526 -8.710 1.00 25.00 H new ATOM 0 HE2 LYS B 27 10.144 21.531 -10.994 1.00 25.00 H new ATOM 0 HE3 LYS B 27 10.313 23.147 -10.337 1.00 25.00 H new ATOM 0 HZ1 LYS B 27 11.053 22.824 -12.702 1.00 25.00 H new ATOM 0 HZ2 LYS B 27 12.186 23.570 -11.681 1.00 25.00 H new ATOM 0 HZ3 LYS B 27 12.371 21.936 -12.104 1.00 25.00 H new ATOM 1851 N LEU B 28 14.901 19.637 -6.745 1.00 25.00 N ATOM 1852 CA LEU B 28 16.115 19.020 -6.237 1.00 25.00 C ATOM 1853 C LEU B 28 16.777 18.345 -7.436 1.00 25.00 C ATOM 1854 O LEU B 28 16.112 17.670 -8.208 1.00 25.00 O ATOM 1855 CB LEU B 28 15.750 18.004 -5.144 1.00 25.00 C ATOM 1856 CG LEU B 28 16.788 17.580 -4.093 1.00 25.00 C ATOM 1857 CD1 LEU B 28 17.006 16.086 -4.157 1.00 25.00 C ATOM 1858 CD2 LEU B 28 18.137 18.281 -4.206 1.00 25.00 C ATOM 0 H LEU B 28 14.401 19.078 -7.436 1.00 25.00 H new ATOM 0 HA LEU B 28 16.795 19.743 -5.786 1.00 25.00 H new ATOM 0 HB2 LEU B 28 14.892 18.406 -4.605 1.00 25.00 H new ATOM 0 HB3 LEU B 28 15.413 17.098 -5.647 1.00 25.00 H new ATOM 0 HG LEU B 28 16.365 17.883 -3.135 1.00 25.00 H new ATOM 0 HD11 LEU B 28 17.743 15.793 -3.409 1.00 25.00 H new ATOM 0 HD12 LEU B 28 16.065 15.572 -3.960 1.00 25.00 H new ATOM 0 HD13 LEU B 28 17.367 15.813 -5.149 1.00 25.00 H new ATOM 0 HD21 LEU B 28 18.803 17.917 -3.423 1.00 25.00 H new ATOM 0 HD22 LEU B 28 18.575 18.071 -5.182 1.00 25.00 H new ATOM 0 HD23 LEU B 28 17.999 19.356 -4.094 1.00 25.00 H new ATOM 1870 N SER B 29 18.062 18.573 -7.633 1.00 25.00 N ATOM 1871 CA SER B 29 18.737 18.047 -8.812 1.00 25.00 C ATOM 1872 C SER B 29 18.796 16.524 -8.784 1.00 25.00 C ATOM 1873 O SER B 29 18.869 15.930 -7.719 1.00 25.00 O ATOM 1874 CB SER B 29 20.137 18.605 -8.930 1.00 25.00 C ATOM 1875 OG SER B 29 20.172 19.969 -8.574 1.00 25.00 O ATOM 0 H SER B 29 18.656 19.112 -7.003 1.00 25.00 H new ATOM 0 HA SER B 29 18.156 18.358 -9.680 1.00 25.00 H new ATOM 0 HB2 SER B 29 20.812 18.041 -8.287 1.00 25.00 H new ATOM 0 HB3 SER B 29 20.495 18.484 -9.952 1.00 25.00 H new ATOM 0 HG SER B 29 21.089 20.305 -8.657 1.00 25.00 H new ATOM 1881 N LYS B 30 18.801 15.886 -9.946 1.00 25.00 N ATOM 1882 CA LYS B 30 18.803 14.423 -10.004 1.00 25.00 C ATOM 1883 C LYS B 30 20.038 13.802 -9.339 1.00 25.00 C ATOM 1884 O LYS B 30 19.895 12.843 -8.599 1.00 25.00 O ATOM 1885 CB LYS B 30 18.649 13.932 -11.448 1.00 25.00 C ATOM 1886 CG LYS B 30 17.204 13.956 -11.947 1.00 25.00 C ATOM 1887 CD LYS B 30 17.075 13.323 -13.338 1.00 25.00 C ATOM 1888 CE LYS B 30 15.613 13.122 -13.770 1.00 25.00 C ATOM 1889 NZ LYS B 30 14.903 14.399 -14.151 1.00 25.00 N ATOM 0 H LYS B 30 18.804 16.349 -10.855 1.00 25.00 H new ATOM 0 HA LYS B 30 17.940 14.087 -9.429 1.00 25.00 H new ATOM 0 HB2 LYS B 30 19.262 14.552 -12.102 1.00 25.00 H new ATOM 0 HB3 LYS B 30 19.034 12.915 -11.521 1.00 25.00 H new ATOM 0 HG2 LYS B 30 16.567 13.421 -11.243 1.00 25.00 H new ATOM 0 HG3 LYS B 30 16.847 14.985 -11.981 1.00 25.00 H new ATOM 0 HD2 LYS B 30 17.581 13.955 -14.068 1.00 25.00 H new ATOM 0 HD3 LYS B 30 17.586 12.360 -13.342 1.00 25.00 H new ATOM 0 HE2 LYS B 30 15.586 12.437 -14.618 1.00 25.00 H new ATOM 0 HE3 LYS B 30 15.067 12.644 -12.957 1.00 25.00 H new ATOM 0 HZ1 LYS B 30 13.903 14.194 -14.348 1.00 25.00 H new ATOM 0 HZ2 LYS B 30 14.969 15.080 -13.368 1.00 25.00 H new ATOM 0 HZ3 LYS B 30 15.347 14.803 -15.000 1.00 25.00 H new ATOM 1903 N LYS B 31 21.232 14.351 -9.529 1.00 25.00 N ATOM 1904 CA LYS B 31 22.425 13.783 -8.865 1.00 25.00 C ATOM 1905 C LYS B 31 22.337 13.934 -7.354 1.00 25.00 C ATOM 1906 O LYS B 31 22.838 13.104 -6.605 1.00 25.00 O ATOM 1907 CB LYS B 31 23.757 14.381 -9.389 1.00 25.00 C ATOM 1908 CG LYS B 31 24.175 15.794 -8.872 1.00 25.00 C ATOM 1909 CD LYS B 31 23.396 16.901 -9.528 1.00 25.00 C ATOM 1910 CE LYS B 31 24.044 18.271 -9.359 1.00 25.00 C ATOM 1911 NZ LYS B 31 23.364 19.303 -10.241 1.00 25.00 N ATOM 0 H LYS B 31 21.410 15.165 -10.117 1.00 25.00 H new ATOM 0 HA LYS B 31 22.432 12.723 -9.117 1.00 25.00 H new ATOM 0 HB2 LYS B 31 24.557 13.684 -9.141 1.00 25.00 H new ATOM 0 HB3 LYS B 31 23.699 14.426 -10.477 1.00 25.00 H new ATOM 0 HG2 LYS B 31 24.028 15.841 -7.793 1.00 25.00 H new ATOM 0 HG3 LYS B 31 25.239 15.944 -9.056 1.00 25.00 H new ATOM 0 HD2 LYS B 31 23.292 16.684 -10.591 1.00 25.00 H new ATOM 0 HD3 LYS B 31 22.390 16.927 -9.109 1.00 25.00 H new ATOM 0 HE2 LYS B 31 23.983 18.581 -8.316 1.00 25.00 H new ATOM 0 HE3 LYS B 31 25.103 18.211 -9.612 1.00 25.00 H new ATOM 0 HZ1 LYS B 31 24.085 19.857 -10.746 1.00 25.00 H new ATOM 0 HZ2 LYS B 31 22.752 18.821 -10.930 1.00 25.00 H new ATOM 0 HZ3 LYS B 31 22.789 19.938 -9.652 1.00 25.00 H new ATOM 1925 N GLU B 32 21.666 14.985 -6.917 1.00 25.00 N ATOM 1926 CA GLU B 32 21.524 15.265 -5.499 1.00 25.00 C ATOM 1927 C GLU B 32 20.430 14.374 -4.908 1.00 25.00 C ATOM 1928 O GLU B 32 20.422 14.070 -3.724 1.00 25.00 O ATOM 1929 CB GLU B 32 21.176 16.735 -5.293 1.00 25.00 C ATOM 1930 CG GLU B 32 22.186 17.726 -5.851 1.00 25.00 C ATOM 1931 CD GLU B 32 23.593 17.533 -5.315 1.00 25.00 C ATOM 1932 OE1 GLU B 32 23.756 17.183 -4.131 1.00 25.00 O ATOM 1933 OE2 GLU B 32 24.542 17.789 -6.081 1.00 25.00 O ATOM 0 H GLU B 32 21.209 15.662 -7.528 1.00 25.00 H new ATOM 0 HA GLU B 32 22.466 15.055 -4.992 1.00 25.00 H new ATOM 0 HB2 GLU B 32 20.208 16.930 -5.754 1.00 25.00 H new ATOM 0 HB3 GLU B 32 21.064 16.919 -4.224 1.00 25.00 H new ATOM 0 HG2 GLU B 32 22.206 17.638 -6.937 1.00 25.00 H new ATOM 0 HG3 GLU B 32 21.854 18.738 -5.619 1.00 25.00 H new ATOM 1940 N LEU B 33 19.523 13.915 -5.756 1.00 25.00 N ATOM 1941 CA LEU B 33 18.469 12.998 -5.335 1.00 25.00 C ATOM 1942 C LEU B 33 19.084 11.692 -4.887 1.00 25.00 C ATOM 1943 O LEU B 33 18.598 11.048 -3.970 1.00 25.00 O ATOM 1944 CB LEU B 33 17.522 12.717 -6.498 1.00 25.00 C ATOM 1945 CG LEU B 33 16.195 12.058 -6.114 1.00 25.00 C ATOM 1946 CD1 LEU B 33 15.318 13.047 -5.368 1.00 25.00 C ATOM 1947 CD2 LEU B 33 15.521 11.567 -7.359 1.00 25.00 C ATOM 0 H LEU B 33 19.494 14.162 -6.745 1.00 25.00 H new ATOM 0 HA LEU B 33 17.916 13.455 -4.514 1.00 25.00 H new ATOM 0 HB2 LEU B 33 17.308 13.657 -7.007 1.00 25.00 H new ATOM 0 HB3 LEU B 33 18.034 12.075 -7.215 1.00 25.00 H new ATOM 0 HG LEU B 33 16.375 11.211 -5.452 1.00 25.00 H new ATOM 0 HD11 LEU B 33 14.376 12.568 -5.100 1.00 25.00 H new ATOM 0 HD12 LEU B 33 15.829 13.376 -4.463 1.00 25.00 H new ATOM 0 HD13 LEU B 33 15.118 13.909 -6.005 1.00 25.00 H new ATOM 0 HD21 LEU B 33 14.574 11.095 -7.098 1.00 25.00 H new ATOM 0 HD22 LEU B 33 15.336 12.407 -8.028 1.00 25.00 H new ATOM 0 HD23 LEU B 33 16.163 10.841 -7.858 1.00 25.00 H new ATOM 1959 N LYS B 34 20.183 11.314 -5.520 1.00 25.00 N ATOM 1960 CA LYS B 34 20.872 10.088 -5.152 1.00 25.00 C ATOM 1961 C LYS B 34 21.384 10.180 -3.727 1.00 25.00 C ATOM 1962 O LYS B 34 21.335 9.214 -2.997 1.00 25.00 O ATOM 1963 CB LYS B 34 22.026 9.817 -6.109 1.00 25.00 C ATOM 1964 CG LYS B 34 22.495 8.377 -6.064 1.00 25.00 C ATOM 1965 CD LYS B 34 23.573 8.106 -7.093 1.00 25.00 C ATOM 1966 CE LYS B 34 24.929 8.594 -6.610 1.00 25.00 C ATOM 1967 NZ LYS B 34 25.982 8.306 -7.672 1.00 25.00 N ATOM 0 H LYS B 34 20.614 11.833 -6.285 1.00 25.00 H new ATOM 0 HA LYS B 34 20.165 9.261 -5.218 1.00 25.00 H new ATOM 0 HB2 LYS B 34 21.716 10.063 -7.125 1.00 25.00 H new ATOM 0 HB3 LYS B 34 22.860 10.475 -5.862 1.00 25.00 H new ATOM 0 HG2 LYS B 34 22.877 8.150 -5.069 1.00 25.00 H new ATOM 0 HG3 LYS B 34 21.649 7.713 -6.240 1.00 25.00 H new ATOM 0 HD2 LYS B 34 23.621 7.037 -7.300 1.00 25.00 H new ATOM 0 HD3 LYS B 34 23.318 8.601 -8.030 1.00 25.00 H new ATOM 0 HE2 LYS B 34 24.890 9.663 -6.403 1.00 25.00 H new ATOM 0 HE3 LYS B 34 25.194 8.098 -5.676 1.00 25.00 H new ATOM 0 HZ1 LYS B 34 26.910 8.640 -7.341 1.00 25.00 H new ATOM 0 HZ2 LYS B 34 26.026 7.282 -7.849 1.00 25.00 H new ATOM 0 HZ3 LYS B 34 25.731 8.799 -8.553 1.00 25.00 H new ATOM 1981 N GLU B 35 21.834 11.357 -3.321 1.00 25.00 N ATOM 1982 CA GLU B 35 22.302 11.559 -1.950 1.00 25.00 C ATOM 1983 C GLU B 35 21.139 11.321 -0.993 1.00 25.00 C ATOM 1984 O GLU B 35 21.268 10.600 -0.011 1.00 25.00 O ATOM 1985 CB GLU B 35 22.787 13.008 -1.780 1.00 25.00 C ATOM 1986 CG GLU B 35 23.350 13.378 -0.414 1.00 25.00 C ATOM 1987 CD GLU B 35 23.415 14.899 -0.238 1.00 25.00 C ATOM 1988 OE1 GLU B 35 22.339 15.553 -0.245 1.00 25.00 O ATOM 1989 OE2 GLU B 35 24.526 15.456 -0.139 1.00 25.00 O ATOM 0 H GLU B 35 21.887 12.185 -3.914 1.00 25.00 H new ATOM 0 HA GLU B 35 23.119 10.869 -1.738 1.00 25.00 H new ATOM 0 HB2 GLU B 35 23.554 13.202 -2.530 1.00 25.00 H new ATOM 0 HB3 GLU B 35 21.953 13.675 -1.998 1.00 25.00 H new ATOM 0 HG2 GLU B 35 22.728 12.944 0.369 1.00 25.00 H new ATOM 0 HG3 GLU B 35 24.347 12.953 -0.301 1.00 25.00 H new ATOM 1996 N LEU B 36 19.996 11.916 -1.309 1.00 25.00 N ATOM 1997 CA LEU B 36 18.802 11.797 -0.475 1.00 25.00 C ATOM 1998 C LEU B 36 18.376 10.332 -0.369 1.00 25.00 C ATOM 1999 O LEU B 36 18.107 9.825 0.716 1.00 25.00 O ATOM 2000 CB LEU B 36 17.678 12.661 -1.085 1.00 25.00 C ATOM 2001 CG LEU B 36 16.347 12.843 -0.324 1.00 25.00 C ATOM 2002 CD1 LEU B 36 15.570 13.990 -0.973 1.00 25.00 C ATOM 2003 CD2 LEU B 36 15.463 11.596 -0.341 1.00 25.00 C ATOM 0 H LEU B 36 19.868 12.490 -2.142 1.00 25.00 H new ATOM 0 HA LEU B 36 19.015 12.153 0.533 1.00 25.00 H new ATOM 0 HB2 LEU B 36 18.091 13.655 -1.259 1.00 25.00 H new ATOM 0 HB3 LEU B 36 17.439 12.240 -2.061 1.00 25.00 H new ATOM 0 HG LEU B 36 16.598 13.049 0.716 1.00 25.00 H new ATOM 0 HD11 LEU B 36 14.626 14.133 -0.448 1.00 25.00 H new ATOM 0 HD12 LEU B 36 16.159 14.906 -0.917 1.00 25.00 H new ATOM 0 HD13 LEU B 36 15.371 13.750 -2.017 1.00 25.00 H new ATOM 0 HD21 LEU B 36 14.545 11.794 0.212 1.00 25.00 H new ATOM 0 HD22 LEU B 36 15.218 11.338 -1.371 1.00 25.00 H new ATOM 0 HD23 LEU B 36 15.995 10.766 0.124 1.00 25.00 H new ATOM 2015 N LEU B 37 18.352 9.640 -1.496 1.00 25.00 N ATOM 2016 CA LEU B 37 17.944 8.233 -1.542 1.00 25.00 C ATOM 2017 C LEU B 37 18.922 7.339 -0.777 1.00 25.00 C ATOM 2018 O LEU B 37 18.551 6.313 -0.241 1.00 25.00 O ATOM 2019 CB LEU B 37 17.881 7.768 -3.006 1.00 25.00 C ATOM 2020 CG LEU B 37 16.515 7.804 -3.727 1.00 25.00 C ATOM 2021 CD1 LEU B 37 15.691 9.066 -3.453 1.00 25.00 C ATOM 2022 CD2 LEU B 37 16.753 7.663 -5.233 1.00 25.00 C ATOM 0 H LEU B 37 18.612 10.028 -2.403 1.00 25.00 H new ATOM 0 HA LEU B 37 16.964 8.151 -1.072 1.00 25.00 H new ATOM 0 HB2 LEU B 37 18.576 8.381 -3.580 1.00 25.00 H new ATOM 0 HB3 LEU B 37 18.251 6.744 -3.046 1.00 25.00 H new ATOM 0 HG LEU B 37 15.928 6.975 -3.331 1.00 25.00 H new ATOM 0 HD11 LEU B 37 14.748 9.010 -3.997 1.00 25.00 H new ATOM 0 HD12 LEU B 37 15.490 9.144 -2.385 1.00 25.00 H new ATOM 0 HD13 LEU B 37 16.248 9.943 -3.782 1.00 25.00 H new ATOM 0 HD21 LEU B 37 15.797 7.687 -5.756 1.00 25.00 H new ATOM 0 HD22 LEU B 37 17.378 8.486 -5.581 1.00 25.00 H new ATOM 0 HD23 LEU B 37 17.254 6.716 -5.435 1.00 25.00 H new ATOM 2034 N GLN B 38 20.174 7.749 -0.720 1.00 25.00 N ATOM 2035 CA GLN B 38 21.223 6.987 -0.055 1.00 25.00 C ATOM 2036 C GLN B 38 21.192 7.248 1.443 1.00 25.00 C ATOM 2037 O GLN B 38 21.766 6.497 2.222 1.00 25.00 O ATOM 2038 CB GLN B 38 22.571 7.296 -0.669 1.00 25.00 C ATOM 2039 CG GLN B 38 22.726 6.566 -2.025 1.00 25.00 C ATOM 2040 CD GLN B 38 24.009 6.901 -2.734 1.00 25.00 C ATOM 2041 OE1 GLN B 38 24.738 7.829 -2.203 1.00 25.00 O flip ATOM 2042 NE2 GLN B 38 24.338 6.325 -3.761 1.00 25.00 N flip ATOM 0 H GLN B 38 20.498 8.623 -1.134 1.00 25.00 H new ATOM 0 HA GLN B 38 21.045 5.922 -0.201 1.00 25.00 H new ATOM 0 HB2 GLN B 38 22.674 8.371 -0.814 1.00 25.00 H new ATOM 0 HB3 GLN B 38 23.366 6.988 0.010 1.00 25.00 H new ATOM 0 HG2 GLN B 38 22.681 5.490 -1.858 1.00 25.00 H new ATOM 0 HG3 GLN B 38 21.885 6.825 -2.668 1.00 25.00 H new ATOM 0 HE21 GLN B 38 23.739 5.598 -4.152 1.00 25.00 H new ATOM 0 HE22 GLN B 38 25.211 6.572 -4.227 1.00 25.00 H new ATOM 2051 N THR B 39 20.548 8.339 1.828 1.00 25.00 N ATOM 2052 CA THR B 39 20.448 8.742 3.226 1.00 25.00 C ATOM 2053 C THR B 39 19.130 8.299 3.881 1.00 25.00 C ATOM 2054 O THR B 39 19.136 7.698 4.946 1.00 25.00 O ATOM 2055 CB THR B 39 20.556 10.283 3.323 1.00 25.00 C ATOM 2056 OG1 THR B 39 21.754 10.714 2.668 1.00 25.00 O ATOM 2057 CG2 THR B 39 20.616 10.753 4.741 1.00 25.00 C ATOM 0 H THR B 39 20.079 8.972 1.181 1.00 25.00 H new ATOM 0 HA THR B 39 21.264 8.253 3.759 1.00 25.00 H new ATOM 0 HB THR B 39 19.667 10.702 2.851 1.00 25.00 H new ATOM 0 HG1 THR B 39 21.658 10.596 1.700 1.00 25.00 H new ATOM 0 HG21 THR B 39 20.691 11.840 4.761 1.00 25.00 H new ATOM 0 HG22 THR B 39 19.713 10.442 5.266 1.00 25.00 H new ATOM 0 HG23 THR B 39 21.488 10.320 5.231 1.00 25.00 H new ATOM 2065 N GLU B 40 18.007 8.615 3.249 1.00 25.00 N ATOM 2066 CA GLU B 40 16.683 8.372 3.843 1.00 25.00 C ATOM 2067 C GLU B 40 15.987 7.143 3.323 1.00 25.00 C ATOM 2068 O GLU B 40 15.129 6.581 3.976 1.00 25.00 O ATOM 2069 CB GLU B 40 15.788 9.562 3.557 1.00 25.00 C ATOM 2070 CG GLU B 40 15.839 10.553 4.650 1.00 25.00 C ATOM 2071 CD GLU B 40 15.212 10.013 5.941 1.00 25.00 C ATOM 2072 OE1 GLU B 40 14.074 9.495 5.881 1.00 25.00 O ATOM 2073 OE2 GLU B 40 15.873 10.051 6.995 1.00 25.00 O ATOM 0 H GLU B 40 17.979 9.041 2.323 1.00 25.00 H new ATOM 0 HA GLU B 40 16.857 8.220 4.908 1.00 25.00 H new ATOM 0 HB2 GLU B 40 16.095 10.033 2.623 1.00 25.00 H new ATOM 0 HB3 GLU B 40 14.761 9.222 3.421 1.00 25.00 H new ATOM 0 HG2 GLU B 40 16.876 10.832 4.839 1.00 25.00 H new ATOM 0 HG3 GLU B 40 15.316 11.459 4.344 1.00 25.00 H new ATOM 2080 N LEU B 41 16.378 6.727 2.137 1.00 25.00 N ATOM 2081 CA LEU B 41 15.843 5.492 1.547 1.00 25.00 C ATOM 2082 C LEU B 41 16.916 4.403 1.649 1.00 25.00 C ATOM 2083 O LEU B 41 16.796 3.314 1.079 1.00 25.00 O ATOM 2084 CB LEU B 41 15.385 5.735 0.100 1.00 25.00 C ATOM 2085 CG LEU B 41 14.290 4.811 -0.461 1.00 25.00 C ATOM 2086 CD1 LEU B 41 13.036 4.818 0.404 1.00 25.00 C ATOM 2087 CD2 LEU B 41 13.937 5.261 -1.865 1.00 25.00 C ATOM 0 H LEU B 41 17.060 7.214 1.556 1.00 25.00 H new ATOM 0 HA LEU B 41 14.960 5.160 2.093 1.00 25.00 H new ATOM 0 HB2 LEU B 41 15.028 6.762 0.028 1.00 25.00 H new ATOM 0 HB3 LEU B 41 16.258 5.654 -0.548 1.00 25.00 H new ATOM 0 HG LEU B 41 14.679 3.793 -0.468 1.00 25.00 H new ATOM 0 HD11 LEU B 41 12.291 4.152 -0.030 1.00 25.00 H new ATOM 0 HD12 LEU B 41 13.285 4.477 1.409 1.00 25.00 H new ATOM 0 HD13 LEU B 41 12.634 5.830 0.453 1.00 25.00 H new ATOM 0 HD21 LEU B 41 13.161 4.612 -2.271 1.00 25.00 H new ATOM 0 HD22 LEU B 41 13.573 6.288 -1.837 1.00 25.00 H new ATOM 0 HD23 LEU B 41 14.823 5.207 -2.498 1.00 25.00 H new ATOM 2099 N SER B 42 17.950 4.713 2.420 1.00 25.00 N ATOM 2100 CA SER B 42 19.072 3.808 2.676 1.00 25.00 C ATOM 2101 C SER B 42 18.688 2.382 3.095 1.00 25.00 C ATOM 2102 O SER B 42 19.319 1.428 2.669 1.00 25.00 O ATOM 2103 CB SER B 42 19.948 4.403 3.777 1.00 25.00 C ATOM 2104 OG SER B 42 21.316 4.122 3.545 1.00 25.00 O ATOM 0 H SER B 42 18.038 5.612 2.894 1.00 25.00 H new ATOM 0 HA SER B 42 19.589 3.716 1.721 1.00 25.00 H new ATOM 0 HB2 SER B 42 19.797 5.482 3.823 1.00 25.00 H new ATOM 0 HB3 SER B 42 19.649 3.998 4.744 1.00 25.00 H new ATOM 0 HG SER B 42 21.724 4.866 3.055 1.00 25.00 H new ATOM 2110 N GLY B 43 17.656 2.220 3.906 1.00 25.00 N ATOM 2111 CA GLY B 43 17.261 0.891 4.352 1.00 25.00 C ATOM 2112 C GLY B 43 16.647 0.067 3.237 1.00 25.00 C ATOM 2113 O GLY B 43 16.797 -1.152 3.191 1.00 25.00 O ATOM 0 H GLY B 43 17.081 2.981 4.267 1.00 25.00 H new ATOM 0 HA2 GLY B 43 18.132 0.370 4.748 1.00 25.00 H new ATOM 0 HA3 GLY B 43 16.545 0.982 5.169 1.00 25.00 H new ATOM 2117 N PHE B 44 15.978 0.723 2.303 1.00 25.00 N ATOM 2118 CA PHE B 44 15.391 0.022 1.159 1.00 25.00 C ATOM 2119 C PHE B 44 16.512 -0.355 0.190 1.00 25.00 C ATOM 2120 O PHE B 44 16.382 -1.319 -0.578 1.00 25.00 O ATOM 2121 CB PHE B 44 14.361 0.901 0.441 1.00 25.00 C ATOM 2122 CG PHE B 44 13.011 1.003 1.142 1.00 25.00 C ATOM 2123 CD1 PHE B 44 12.805 0.559 2.475 1.00 25.00 C ATOM 2124 CD2 PHE B 44 11.922 1.568 0.449 1.00 25.00 C ATOM 2125 CE1 PHE B 44 11.534 0.692 3.094 1.00 25.00 C ATOM 2126 CE2 PHE B 44 10.654 1.703 1.063 1.00 25.00 C ATOM 2127 CZ PHE B 44 10.463 1.270 2.389 1.00 25.00 C ATOM 0 H PHE B 44 15.825 1.731 2.308 1.00 25.00 H new ATOM 0 HA PHE B 44 14.879 -0.872 1.515 1.00 25.00 H new ATOM 0 HB2 PHE B 44 14.774 1.904 0.330 1.00 25.00 H new ATOM 0 HB3 PHE B 44 14.205 0.507 -0.563 1.00 25.00 H new ATOM 0 HD1 PHE B 44 13.623 0.116 3.023 1.00 25.00 H new ATOM 0 HD2 PHE B 44 12.057 1.904 -0.568 1.00 25.00 H new ATOM 0 HE1 PHE B 44 11.389 0.349 4.108 1.00 25.00 H new ATOM 0 HE2 PHE B 44 9.832 2.139 0.514 1.00 25.00 H new ATOM 0 HZ PHE B 44 9.499 1.381 2.863 1.00 25.00 H new ATOM 2137 N LEU B 45 17.607 0.394 0.240 1.00 25.00 N ATOM 2138 CA LEU B 45 18.794 0.104 -0.564 1.00 25.00 C ATOM 2139 C LEU B 45 19.615 -1.026 0.050 1.00 25.00 C ATOM 2140 O LEU B 45 20.115 -1.877 -0.662 1.00 25.00 O ATOM 2141 CB LEU B 45 19.677 1.354 -0.677 1.00 25.00 C ATOM 2142 CG LEU B 45 19.372 2.283 -1.854 1.00 25.00 C ATOM 2143 CD1 LEU B 45 20.057 3.623 -1.644 1.00 25.00 C ATOM 2144 CD2 LEU B 45 19.854 1.653 -3.164 1.00 25.00 C ATOM 0 H LEU B 45 17.700 1.217 0.836 1.00 25.00 H new ATOM 0 HA LEU B 45 18.454 -0.203 -1.553 1.00 25.00 H new ATOM 0 HB2 LEU B 45 19.583 1.926 0.246 1.00 25.00 H new ATOM 0 HB3 LEU B 45 20.717 1.035 -0.751 1.00 25.00 H new ATOM 0 HG LEU B 45 18.294 2.436 -1.912 1.00 25.00 H new ATOM 0 HD11 LEU B 45 19.836 4.280 -2.485 1.00 25.00 H new ATOM 0 HD12 LEU B 45 19.692 4.078 -0.723 1.00 25.00 H new ATOM 0 HD13 LEU B 45 21.134 3.474 -1.573 1.00 25.00 H new ATOM 0 HD21 LEU B 45 19.631 2.324 -3.994 1.00 25.00 H new ATOM 0 HD22 LEU B 45 20.930 1.484 -3.112 1.00 25.00 H new ATOM 0 HD23 LEU B 45 19.345 0.702 -3.319 1.00 25.00 H new ATOM 2156 N ASP B 46 19.744 -1.042 1.367 1.00 25.00 N ATOM 2157 CA ASP B 46 20.501 -2.088 2.066 1.00 25.00 C ATOM 2158 C ASP B 46 19.811 -3.440 1.905 1.00 25.00 C ATOM 2159 O ASP B 46 20.449 -4.475 1.761 1.00 25.00 O ATOM 2160 CB ASP B 46 20.593 -1.749 3.554 1.00 25.00 C ATOM 2161 CG ASP B 46 21.459 -2.731 4.326 1.00 25.00 C ATOM 2162 OD1 ASP B 46 22.676 -2.807 4.047 1.00 25.00 O ATOM 2163 OD2 ASP B 46 20.931 -3.395 5.246 1.00 25.00 O ATOM 0 H ASP B 46 19.334 -0.341 1.984 1.00 25.00 H new ATOM 0 HA ASP B 46 21.501 -2.141 1.635 1.00 25.00 H new ATOM 0 HB2 ASP B 46 20.999 -0.744 3.669 1.00 25.00 H new ATOM 0 HB3 ASP B 46 19.591 -1.739 3.983 1.00 25.00 H new ATOM 2168 N ALA B 47 18.488 -3.404 1.878 1.00 25.00 N ATOM 2169 CA ALA B 47 17.674 -4.604 1.758 1.00 25.00 C ATOM 2170 C ALA B 47 17.168 -4.769 0.326 1.00 25.00 C ATOM 2171 O ALA B 47 16.096 -5.335 0.099 1.00 25.00 O ATOM 2172 CB ALA B 47 16.497 -4.531 2.745 1.00 25.00 C ATOM 0 H ALA B 47 17.947 -2.541 1.939 1.00 25.00 H new ATOM 0 HA ALA B 47 18.285 -5.473 2.000 1.00 25.00 H new ATOM 0 HB1 ALA B 47 15.889 -5.431 2.653 1.00 25.00 H new ATOM 0 HB2 ALA B 47 16.880 -4.454 3.763 1.00 25.00 H new ATOM 0 HB3 ALA B 47 15.887 -3.656 2.520 1.00 25.00 H new ATOM 2178 N GLN B 48 17.918 -4.250 -0.637 1.00 25.00 N ATOM 2179 CA GLN B 48 17.548 -4.364 -2.042 1.00 25.00 C ATOM 2180 C GLN B 48 17.496 -5.848 -2.425 1.00 25.00 C ATOM 2181 O GLN B 48 18.212 -6.674 -1.853 1.00 25.00 O ATOM 2182 CB GLN B 48 18.553 -3.626 -2.929 1.00 25.00 C ATOM 2183 CG GLN B 48 19.960 -4.214 -2.868 1.00 25.00 C ATOM 2184 CD GLN B 48 20.964 -3.437 -3.692 1.00 25.00 C ATOM 2185 OE1 GLN B 48 21.328 -3.844 -4.780 1.00 25.00 O ATOM 2186 NE2 GLN B 48 21.420 -2.330 -3.176 1.00 25.00 N ATOM 0 H GLN B 48 18.788 -3.745 -0.471 1.00 25.00 H new ATOM 0 HA GLN B 48 16.569 -3.909 -2.192 1.00 25.00 H new ATOM 0 HB2 GLN B 48 18.202 -3.649 -3.961 1.00 25.00 H new ATOM 0 HB3 GLN B 48 18.591 -2.579 -2.629 1.00 25.00 H new ATOM 0 HG2 GLN B 48 20.292 -4.239 -1.830 1.00 25.00 H new ATOM 0 HG3 GLN B 48 19.932 -5.246 -3.219 1.00 25.00 H new ATOM 0 HE21 GLN B 48 21.092 -2.020 -2.261 1.00 25.00 H new ATOM 0 HE22 GLN B 48 22.105 -1.773 -3.687 1.00 25.00 H new ATOM 2195 N LYS B 49 16.640 -6.180 -3.379 1.00 25.00 N ATOM 2196 CA LYS B 49 16.467 -7.570 -3.810 1.00 25.00 C ATOM 2197 C LYS B 49 16.479 -7.650 -5.321 1.00 25.00 C ATOM 2198 O LYS B 49 17.253 -8.395 -5.911 1.00 25.00 O ATOM 2199 CB LYS B 49 15.165 -8.129 -3.256 1.00 25.00 C ATOM 2200 CG LYS B 49 15.092 -8.043 -1.751 1.00 25.00 C ATOM 2201 CD LYS B 49 14.052 -8.956 -1.225 1.00 25.00 C ATOM 2202 CE LYS B 49 13.947 -8.828 0.279 1.00 25.00 C ATOM 2203 NZ LYS B 49 12.952 -9.805 0.808 1.00 25.00 N ATOM 0 H LYS B 49 16.051 -5.510 -3.873 1.00 25.00 H new ATOM 0 HA LYS B 49 17.293 -8.168 -3.425 1.00 25.00 H new ATOM 0 HB2 LYS B 49 14.326 -7.584 -3.689 1.00 25.00 H new ATOM 0 HB3 LYS B 49 15.061 -9.170 -3.563 1.00 25.00 H new ATOM 0 HG2 LYS B 49 16.060 -8.299 -1.320 1.00 25.00 H new ATOM 0 HG3 LYS B 49 14.870 -7.019 -1.451 1.00 25.00 H new ATOM 0 HD2 LYS B 49 13.091 -8.725 -1.684 1.00 25.00 H new ATOM 0 HD3 LYS B 49 14.294 -9.985 -1.493 1.00 25.00 H new ATOM 0 HE2 LYS B 49 14.921 -9.005 0.736 1.00 25.00 H new ATOM 0 HE3 LYS B 49 13.650 -7.814 0.546 1.00 25.00 H new ATOM 0 HZ1 LYS B 49 12.887 -9.709 1.842 1.00 25.00 H new ATOM 0 HZ2 LYS B 49 12.021 -9.617 0.384 1.00 25.00 H new ATOM 0 HZ3 LYS B 49 13.253 -10.771 0.568 1.00 25.00 H new ATOM 2217 N ASP B 50 15.666 -6.815 -5.949 1.00 25.00 N ATOM 2218 CA ASP B 50 15.650 -6.707 -7.400 1.00 25.00 C ATOM 2219 C ASP B 50 16.801 -5.807 -7.824 1.00 25.00 C ATOM 2220 O ASP B 50 16.634 -4.597 -8.000 1.00 25.00 O ATOM 2221 CB ASP B 50 14.324 -6.142 -7.890 1.00 25.00 C ATOM 2222 CG ASP B 50 13.143 -6.989 -7.477 1.00 25.00 C ATOM 2223 OD1 ASP B 50 12.612 -6.789 -6.358 1.00 25.00 O ATOM 2224 OD2 ASP B 50 12.729 -7.852 -8.275 1.00 25.00 O ATOM 0 H ASP B 50 15.006 -6.199 -5.474 1.00 25.00 H new ATOM 0 HA ASP B 50 15.765 -7.697 -7.842 1.00 25.00 H new ATOM 0 HB2 ASP B 50 14.197 -5.133 -7.499 1.00 25.00 H new ATOM 0 HB3 ASP B 50 14.347 -6.062 -8.977 1.00 25.00 H new ATOM 2229 N VAL B 51 17.983 -6.388 -7.943 1.00 25.00 N ATOM 2230 CA VAL B 51 19.187 -5.619 -8.253 1.00 25.00 C ATOM 2231 C VAL B 51 19.098 -4.980 -9.638 1.00 25.00 C ATOM 2232 O VAL B 51 19.600 -3.888 -9.860 1.00 25.00 O ATOM 2233 CB VAL B 51 20.474 -6.493 -8.127 1.00 25.00 C ATOM 2234 CG1 VAL B 51 20.669 -6.932 -6.665 1.00 25.00 C ATOM 2235 CG2 VAL B 51 20.409 -7.745 -9.034 1.00 25.00 C ATOM 0 H VAL B 51 18.140 -7.390 -7.830 1.00 25.00 H new ATOM 0 HA VAL B 51 19.256 -4.818 -7.517 1.00 25.00 H new ATOM 0 HB VAL B 51 21.318 -5.883 -8.450 1.00 25.00 H new ATOM 0 HG11 VAL B 51 21.569 -7.542 -6.585 1.00 25.00 H new ATOM 0 HG12 VAL B 51 20.770 -6.051 -6.031 1.00 25.00 H new ATOM 0 HG13 VAL B 51 19.806 -7.515 -6.342 1.00 25.00 H new ATOM 0 HG21 VAL B 51 21.323 -8.327 -8.917 1.00 25.00 H new ATOM 0 HG22 VAL B 51 19.552 -8.356 -8.750 1.00 25.00 H new ATOM 0 HG23 VAL B 51 20.306 -7.436 -10.074 1.00 25.00 H new ATOM 2245 N ASP B 52 18.387 -5.626 -10.549 1.00 25.00 N ATOM 2246 CA ASP B 52 18.215 -5.099 -11.898 1.00 25.00 C ATOM 2247 C ASP B 52 17.354 -3.845 -11.868 1.00 25.00 C ATOM 2248 O ASP B 52 17.507 -2.948 -12.686 1.00 25.00 O ATOM 2249 CB ASP B 52 17.537 -6.150 -12.778 1.00 25.00 C ATOM 2250 CG ASP B 52 18.336 -7.435 -12.869 1.00 25.00 C ATOM 2251 OD1 ASP B 52 18.237 -8.256 -11.926 1.00 25.00 O ATOM 2252 OD2 ASP B 52 19.048 -7.637 -13.873 1.00 25.00 O ATOM 0 H ASP B 52 17.919 -6.516 -10.381 1.00 25.00 H new ATOM 0 HA ASP B 52 19.196 -4.852 -12.304 1.00 25.00 H new ATOM 0 HB2 ASP B 52 16.547 -6.369 -12.379 1.00 25.00 H new ATOM 0 HB3 ASP B 52 17.394 -5.743 -13.779 1.00 25.00 H new ATOM 2257 N ALA B 53 16.420 -3.798 -10.930 1.00 25.00 N ATOM 2258 CA ALA B 53 15.506 -2.667 -10.812 1.00 25.00 C ATOM 2259 C ALA B 53 16.151 -1.510 -10.047 1.00 25.00 C ATOM 2260 O ALA B 53 15.940 -0.346 -10.378 1.00 25.00 O ATOM 2261 CB ALA B 53 14.222 -3.113 -10.116 1.00 25.00 C ATOM 0 H ALA B 53 16.273 -4.531 -10.236 1.00 25.00 H new ATOM 0 HA ALA B 53 15.268 -2.311 -11.814 1.00 25.00 H new ATOM 0 HB1 ALA B 53 13.542 -2.266 -10.030 1.00 25.00 H new ATOM 0 HB2 ALA B 53 13.747 -3.902 -10.699 1.00 25.00 H new ATOM 0 HB3 ALA B 53 14.460 -3.490 -9.121 1.00 25.00 H new ATOM 2267 N VAL B 54 16.902 -1.833 -9.004 1.00 25.00 N ATOM 2268 CA VAL B 54 17.490 -0.807 -8.147 1.00 25.00 C ATOM 2269 C VAL B 54 18.581 -0.067 -8.915 1.00 25.00 C ATOM 2270 O VAL B 54 18.688 1.158 -8.845 1.00 25.00 O ATOM 2271 CB VAL B 54 18.011 -1.426 -6.799 1.00 25.00 C ATOM 2272 CG1 VAL B 54 19.348 -2.082 -6.939 1.00 25.00 C ATOM 2273 CG2 VAL B 54 18.075 -0.381 -5.715 1.00 25.00 C ATOM 0 H VAL B 54 17.119 -2.791 -8.730 1.00 25.00 H new ATOM 0 HA VAL B 54 16.725 -0.081 -7.871 1.00 25.00 H new ATOM 0 HB VAL B 54 17.292 -2.197 -6.523 1.00 25.00 H new ATOM 0 HG11 VAL B 54 19.655 -2.491 -5.976 1.00 25.00 H new ATOM 0 HG12 VAL B 54 19.283 -2.887 -7.671 1.00 25.00 H new ATOM 0 HG13 VAL B 54 20.081 -1.347 -7.272 1.00 25.00 H new ATOM 0 HG21 VAL B 54 18.438 -0.835 -4.793 1.00 25.00 H new ATOM 0 HG22 VAL B 54 18.753 0.417 -6.018 1.00 25.00 H new ATOM 0 HG23 VAL B 54 17.080 0.032 -5.549 1.00 25.00 H new ATOM 2283 N ASP B 55 19.358 -0.807 -9.689 1.00 25.00 N ATOM 2284 CA ASP B 55 20.466 -0.233 -10.426 1.00 25.00 C ATOM 2285 C ASP B 55 19.974 0.503 -11.650 1.00 25.00 C ATOM 2286 O ASP B 55 20.573 1.472 -12.077 1.00 25.00 O ATOM 2287 CB ASP B 55 21.441 -1.322 -10.835 1.00 25.00 C ATOM 2288 CG ASP B 55 22.771 -0.756 -11.319 1.00 25.00 C ATOM 2289 OD1 ASP B 55 23.216 0.279 -10.769 1.00 25.00 O ATOM 2290 OD2 ASP B 55 23.364 -1.332 -12.254 1.00 25.00 O ATOM 0 H ASP B 55 19.239 -1.811 -9.822 1.00 25.00 H new ATOM 0 HA ASP B 55 20.975 0.479 -9.777 1.00 25.00 H new ATOM 0 HB2 ASP B 55 21.618 -1.985 -9.988 1.00 25.00 H new ATOM 0 HB3 ASP B 55 20.997 -1.926 -11.626 1.00 25.00 H new ATOM 2295 N LYS B 56 18.830 0.085 -12.173 1.00 25.00 N ATOM 2296 CA LYS B 56 18.223 0.775 -13.310 1.00 25.00 C ATOM 2297 C LYS B 56 18.031 2.246 -12.986 1.00 25.00 C ATOM 2298 O LYS B 56 18.347 3.094 -13.795 1.00 25.00 O ATOM 2299 CB LYS B 56 16.872 0.147 -13.655 1.00 25.00 C ATOM 2300 CG LYS B 56 16.184 0.743 -14.883 1.00 25.00 C ATOM 2301 CD LYS B 56 14.729 0.282 -14.979 1.00 25.00 C ATOM 2302 CE LYS B 56 14.611 -1.231 -15.197 1.00 25.00 C ATOM 2303 NZ LYS B 56 13.173 -1.634 -15.356 1.00 25.00 N ATOM 0 H LYS B 56 18.305 -0.721 -11.834 1.00 25.00 H new ATOM 0 HA LYS B 56 18.889 0.679 -14.167 1.00 25.00 H new ATOM 0 HB2 LYS B 56 17.015 -0.921 -13.818 1.00 25.00 H new ATOM 0 HB3 LYS B 56 16.208 0.252 -12.797 1.00 25.00 H new ATOM 0 HG2 LYS B 56 16.221 1.831 -14.832 1.00 25.00 H new ATOM 0 HG3 LYS B 56 16.722 0.448 -15.784 1.00 25.00 H new ATOM 0 HD2 LYS B 56 14.202 0.557 -14.065 1.00 25.00 H new ATOM 0 HD3 LYS B 56 14.238 0.804 -15.800 1.00 25.00 H new ATOM 0 HE2 LYS B 56 15.175 -1.521 -16.083 1.00 25.00 H new ATOM 0 HE3 LYS B 56 15.051 -1.761 -14.352 1.00 25.00 H new ATOM 0 HZ1 LYS B 56 13.115 -2.662 -15.503 1.00 25.00 H new ATOM 0 HZ2 LYS B 56 12.643 -1.376 -14.499 1.00 25.00 H new ATOM 0 HZ3 LYS B 56 12.764 -1.144 -16.177 1.00 25.00 H new ATOM 2317 N VAL B 57 17.532 2.546 -11.796 1.00 25.00 N ATOM 2318 CA VAL B 57 17.261 3.933 -11.430 1.00 25.00 C ATOM 2319 C VAL B 57 18.573 4.666 -11.207 1.00 25.00 C ATOM 2320 O VAL B 57 18.745 5.813 -11.608 1.00 25.00 O ATOM 2321 CB VAL B 57 16.400 4.014 -10.132 1.00 25.00 C ATOM 2322 CG1 VAL B 57 16.136 5.476 -9.752 1.00 25.00 C ATOM 2323 CG2 VAL B 57 15.061 3.277 -10.331 1.00 25.00 C ATOM 0 H VAL B 57 17.308 1.860 -11.075 1.00 25.00 H new ATOM 0 HA VAL B 57 16.705 4.398 -12.244 1.00 25.00 H new ATOM 0 HB VAL B 57 16.953 3.535 -9.324 1.00 25.00 H new ATOM 0 HG11 VAL B 57 15.534 5.513 -8.844 1.00 25.00 H new ATOM 0 HG12 VAL B 57 17.085 5.984 -9.579 1.00 25.00 H new ATOM 0 HG13 VAL B 57 15.601 5.972 -10.562 1.00 25.00 H new ATOM 0 HG21 VAL B 57 14.471 3.342 -9.417 1.00 25.00 H new ATOM 0 HG22 VAL B 57 14.511 3.737 -11.152 1.00 25.00 H new ATOM 0 HG23 VAL B 57 15.253 2.230 -10.565 1.00 25.00 H new ATOM 2333 N MET B 58 19.505 3.997 -10.550 1.00 25.00 N ATOM 2334 CA MET B 58 20.765 4.629 -10.187 1.00 25.00 C ATOM 2335 C MET B 58 21.627 4.917 -11.380 1.00 25.00 C ATOM 2336 O MET B 58 22.116 6.018 -11.524 1.00 25.00 O ATOM 2337 CB MET B 58 21.518 3.741 -9.216 1.00 25.00 C ATOM 2338 CG MET B 58 20.755 3.590 -7.954 1.00 25.00 C ATOM 2339 SD MET B 58 20.742 5.164 -7.045 1.00 25.00 S ATOM 2340 CE MET B 58 20.183 4.685 -5.438 1.00 25.00 C ATOM 0 H MET B 58 19.416 3.024 -10.258 1.00 25.00 H new ATOM 0 HA MET B 58 20.527 5.585 -9.720 1.00 25.00 H new ATOM 0 HB2 MET B 58 21.687 2.762 -9.665 1.00 25.00 H new ATOM 0 HB3 MET B 58 22.498 4.170 -9.007 1.00 25.00 H new ATOM 0 HG2 MET B 58 19.734 3.278 -8.172 1.00 25.00 H new ATOM 0 HG3 MET B 58 21.203 2.809 -7.339 1.00 25.00 H new ATOM 0 HE1 MET B 58 20.066 5.571 -4.814 1.00 25.00 H new ATOM 0 HE2 MET B 58 19.225 4.173 -5.524 1.00 25.00 H new ATOM 0 HE3 MET B 58 20.913 4.015 -4.984 1.00 25.00 H new ATOM 2350 N LYS B 59 21.796 3.943 -12.252 1.00 25.00 N ATOM 2351 CA LYS B 59 22.607 4.143 -13.449 1.00 25.00 C ATOM 2352 C LYS B 59 21.932 5.141 -14.382 1.00 25.00 C ATOM 2353 O LYS B 59 22.601 5.975 -14.973 1.00 25.00 O ATOM 2354 CB LYS B 59 22.864 2.806 -14.160 1.00 25.00 C ATOM 2355 CG LYS B 59 23.821 2.898 -15.365 1.00 25.00 C ATOM 2356 CD LYS B 59 25.235 3.399 -14.990 1.00 25.00 C ATOM 2357 CE LYS B 59 25.534 4.720 -15.704 1.00 25.00 C ATOM 2358 NZ LYS B 59 26.879 5.308 -15.403 1.00 25.00 N ATOM 0 H LYS B 59 21.389 3.012 -12.161 1.00 25.00 H new ATOM 0 HA LYS B 59 23.573 4.553 -13.153 1.00 25.00 H new ATOM 0 HB2 LYS B 59 23.274 2.098 -13.439 1.00 25.00 H new ATOM 0 HB3 LYS B 59 21.911 2.400 -14.499 1.00 25.00 H new ATOM 0 HG2 LYS B 59 23.903 1.916 -15.830 1.00 25.00 H new ATOM 0 HG3 LYS B 59 23.392 3.568 -16.110 1.00 25.00 H new ATOM 0 HD2 LYS B 59 25.306 3.536 -13.911 1.00 25.00 H new ATOM 0 HD3 LYS B 59 25.979 2.651 -15.266 1.00 25.00 H new ATOM 0 HE2 LYS B 59 25.455 4.561 -16.779 1.00 25.00 H new ATOM 0 HE3 LYS B 59 24.767 5.445 -15.432 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 27.175 5.919 -16.191 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 26.824 5.871 -14.530 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 27.572 4.543 -15.278 1.00 25.00 H new ATOM 2372 N GLU B 60 20.613 5.112 -14.466 1.00 25.00 N ATOM 2373 CA GLU B 60 19.911 6.084 -15.300 1.00 25.00 C ATOM 2374 C GLU B 60 20.150 7.497 -14.775 1.00 25.00 C ATOM 2375 O GLU B 60 20.419 8.414 -15.550 1.00 25.00 O ATOM 2376 CB GLU B 60 18.408 5.785 -15.330 1.00 25.00 C ATOM 2377 CG GLU B 60 17.615 6.669 -16.278 1.00 25.00 C ATOM 2378 CD GLU B 60 16.152 6.256 -16.337 1.00 25.00 C ATOM 2379 OE1 GLU B 60 15.466 6.330 -15.293 1.00 25.00 O ATOM 2380 OE2 GLU B 60 15.689 5.845 -17.422 1.00 25.00 O ATOM 0 H GLU B 60 20.014 4.444 -13.981 1.00 25.00 H new ATOM 0 HA GLU B 60 20.300 6.010 -16.315 1.00 25.00 H new ATOM 0 HB2 GLU B 60 18.262 4.743 -15.615 1.00 25.00 H new ATOM 0 HB3 GLU B 60 18.006 5.899 -14.323 1.00 25.00 H new ATOM 0 HG2 GLU B 60 17.688 7.707 -15.955 1.00 25.00 H new ATOM 0 HG3 GLU B 60 18.050 6.615 -17.276 1.00 25.00 H new ATOM 2387 N LEU B 61 20.091 7.685 -13.461 1.00 25.00 N ATOM 2388 CA LEU B 61 20.274 9.024 -12.912 1.00 25.00 C ATOM 2389 C LEU B 61 21.749 9.393 -12.904 1.00 25.00 C ATOM 2390 O LEU B 61 22.093 10.554 -12.893 1.00 25.00 O ATOM 2391 CB LEU B 61 19.653 9.128 -11.513 1.00 25.00 C ATOM 2392 CG LEU B 61 20.559 8.908 -10.291 1.00 25.00 C ATOM 2393 CD1 LEU B 61 21.268 10.216 -9.871 1.00 25.00 C ATOM 2394 CD2 LEU B 61 19.725 8.365 -9.134 1.00 25.00 C ATOM 0 H LEU B 61 19.923 6.951 -12.773 1.00 25.00 H new ATOM 0 HA LEU B 61 19.755 9.740 -13.550 1.00 25.00 H new ATOM 0 HB2 LEU B 61 19.207 10.118 -11.421 1.00 25.00 H new ATOM 0 HB3 LEU B 61 18.839 8.405 -11.457 1.00 25.00 H new ATOM 0 HG LEU B 61 21.331 8.186 -10.559 1.00 25.00 H new ATOM 0 HD11 LEU B 61 21.901 10.025 -9.004 1.00 25.00 H new ATOM 0 HD12 LEU B 61 21.882 10.578 -10.696 1.00 25.00 H new ATOM 0 HD13 LEU B 61 20.522 10.969 -9.617 1.00 25.00 H new ATOM 0 HD21 LEU B 61 20.365 8.208 -8.266 1.00 25.00 H new ATOM 0 HD22 LEU B 61 18.942 9.080 -8.883 1.00 25.00 H new ATOM 0 HD23 LEU B 61 19.271 7.418 -9.426 1.00 25.00 H new ATOM 2406 N ASP B 62 22.622 8.406 -12.949 1.00 25.00 N ATOM 2407 CA ASP B 62 24.061 8.656 -12.936 1.00 25.00 C ATOM 2408 C ASP B 62 24.476 9.458 -14.172 1.00 25.00 C ATOM 2409 O ASP B 62 25.434 10.222 -14.138 1.00 25.00 O ATOM 2410 CB ASP B 62 24.829 7.336 -12.876 1.00 25.00 C ATOM 2411 CG ASP B 62 26.246 7.500 -12.365 1.00 25.00 C ATOM 2412 OD1 ASP B 62 26.433 8.039 -11.241 1.00 25.00 O ATOM 2413 OD2 ASP B 62 27.164 6.953 -13.023 1.00 25.00 O ATOM 0 H ASP B 62 22.366 7.420 -12.995 1.00 25.00 H new ATOM 0 HA ASP B 62 24.303 9.240 -12.048 1.00 25.00 H new ATOM 0 HB2 ASP B 62 24.294 6.639 -12.231 1.00 25.00 H new ATOM 0 HB3 ASP B 62 24.856 6.892 -13.871 1.00 25.00 H new ATOM 2418 N GLU B 63 23.712 9.312 -15.250 1.00 25.00 N ATOM 2419 CA GLU B 63 23.983 10.024 -16.497 1.00 25.00 C ATOM 2420 C GLU B 63 23.031 11.205 -16.680 1.00 25.00 C ATOM 2421 O GLU B 63 23.356 12.193 -17.329 1.00 25.00 O ATOM 2422 CB GLU B 63 23.852 9.047 -17.669 1.00 25.00 C ATOM 2423 CG GLU B 63 24.747 7.824 -17.483 1.00 25.00 C ATOM 2424 CD GLU B 63 24.791 6.903 -18.692 1.00 25.00 C ATOM 2425 OE1 GLU B 63 23.971 7.055 -19.620 1.00 25.00 O ATOM 2426 OE2 GLU B 63 25.660 5.996 -18.692 1.00 25.00 O ATOM 0 H GLU B 63 22.895 8.703 -15.286 1.00 25.00 H new ATOM 0 HA GLU B 63 24.997 10.423 -16.461 1.00 25.00 H new ATOM 0 HB2 GLU B 63 22.814 8.728 -17.763 1.00 25.00 H new ATOM 0 HB3 GLU B 63 24.116 9.554 -18.597 1.00 25.00 H new ATOM 0 HG2 GLU B 63 25.759 8.158 -17.256 1.00 25.00 H new ATOM 0 HG3 GLU B 63 24.397 7.258 -16.620 1.00 25.00 H new ATOM 2433 N ASN B 64 21.863 11.114 -16.060 1.00 25.00 N ATOM 2434 CA ASN B 64 20.841 12.163 -16.152 1.00 25.00 C ATOM 2435 C ASN B 64 20.880 13.115 -14.954 1.00 25.00 C ATOM 2436 O ASN B 64 19.962 13.906 -14.732 1.00 25.00 O ATOM 2437 CB ASN B 64 19.452 11.519 -16.230 1.00 25.00 C ATOM 2438 CG ASN B 64 19.106 11.067 -17.620 1.00 25.00 C ATOM 2439 OD1 ASN B 64 18.718 11.866 -18.456 1.00 25.00 O ATOM 2440 ND2 ASN B 64 19.234 9.797 -17.876 1.00 25.00 N ATOM 0 H ASN B 64 21.592 10.319 -15.481 1.00 25.00 H new ATOM 0 HA ASN B 64 21.049 12.743 -17.051 1.00 25.00 H new ATOM 0 HB2 ASN B 64 19.412 10.666 -15.553 1.00 25.00 H new ATOM 0 HB3 ASN B 64 18.704 12.233 -15.887 1.00 25.00 H new ATOM 0 HD21 ASN B 64 19.007 9.438 -18.803 1.00 25.00 H new ATOM 0 HD22 ASN B 64 19.562 9.161 -17.149 1.00 25.00 H new ATOM 2447 N GLY B 65 21.921 13.002 -14.150 1.00 25.00 N ATOM 2448 CA GLY B 65 21.967 13.674 -12.863 1.00 25.00 C ATOM 2449 C GLY B 65 21.956 15.180 -12.888 1.00 25.00 C ATOM 2450 O GLY B 65 21.689 15.815 -11.881 1.00 25.00 O ATOM 0 H GLY B 65 22.750 12.449 -14.366 1.00 25.00 H new ATOM 0 HA2 GLY B 65 21.115 13.337 -12.272 1.00 25.00 H new ATOM 0 HA3 GLY B 65 22.867 13.348 -12.341 1.00 25.00 H new ATOM 2454 N ASP B 66 22.258 15.757 -14.034 1.00 25.00 N ATOM 2455 CA ASP B 66 22.448 17.205 -14.135 1.00 25.00 C ATOM 2456 C ASP B 66 21.115 17.904 -14.280 1.00 25.00 C ATOM 2457 O ASP B 66 21.018 19.122 -14.191 1.00 25.00 O ATOM 2458 CB ASP B 66 23.349 17.554 -15.319 1.00 25.00 C ATOM 2459 CG ASP B 66 23.979 18.934 -15.180 1.00 25.00 C ATOM 2460 OD1 ASP B 66 24.347 19.308 -14.035 1.00 25.00 O ATOM 2461 OD2 ASP B 66 24.164 19.615 -16.209 1.00 25.00 O ATOM 0 H ASP B 66 22.379 15.253 -14.912 1.00 25.00 H new ATOM 0 HA ASP B 66 22.930 17.546 -13.219 1.00 25.00 H new ATOM 0 HB2 ASP B 66 24.136 16.805 -15.407 1.00 25.00 H new ATOM 0 HB3 ASP B 66 22.767 17.514 -16.240 1.00 25.00 H new ATOM 2466 N GLY B 67 20.073 17.109 -14.452 1.00 25.00 N ATOM 2467 CA GLY B 67 18.748 17.616 -14.519 1.00 25.00 C ATOM 2468 C GLY B 67 18.262 17.720 -13.102 1.00 25.00 C ATOM 2469 O GLY B 67 19.022 17.665 -12.134 1.00 25.00 O ATOM 0 H GLY B 67 20.141 16.096 -14.547 1.00 25.00 H new ATOM 0 HA2 GLY B 67 18.729 18.590 -15.009 1.00 25.00 H new ATOM 0 HA3 GLY B 67 18.108 16.954 -15.102 1.00 25.00 H new ATOM 2473 N GLU B 68 16.967 17.831 -12.980 1.00 25.00 N ATOM 2474 CA GLU B 68 16.325 18.029 -11.694 1.00 25.00 C ATOM 2475 C GLU B 68 15.015 17.282 -11.643 1.00 25.00 C ATOM 2476 O GLU B 68 14.524 16.797 -12.666 1.00 25.00 O ATOM 2477 CB GLU B 68 16.135 19.540 -11.421 1.00 25.00 C ATOM 2478 CG GLU B 68 14.737 20.166 -11.679 1.00 25.00 C ATOM 2479 CD GLU B 68 14.316 20.247 -13.144 1.00 25.00 C ATOM 2480 OE1 GLU B 68 15.033 19.772 -14.050 1.00 25.00 O ATOM 2481 OE2 GLU B 68 13.232 20.841 -13.377 1.00 25.00 O ATOM 0 H GLU B 68 16.320 17.788 -13.767 1.00 25.00 H new ATOM 0 HA GLU B 68 16.963 17.627 -10.907 1.00 25.00 H new ATOM 0 HB2 GLU B 68 16.394 19.724 -10.378 1.00 25.00 H new ATOM 0 HB3 GLU B 68 16.859 20.081 -12.030 1.00 25.00 H new ATOM 0 HG2 GLU B 68 13.992 19.585 -11.136 1.00 25.00 H new ATOM 0 HG3 GLU B 68 14.725 21.172 -11.259 1.00 25.00 H new ATOM 2488 N VAL B 69 14.473 17.160 -10.448 1.00 25.00 N ATOM 2489 CA VAL B 69 13.176 16.554 -10.244 1.00 25.00 C ATOM 2490 C VAL B 69 12.381 17.435 -9.302 1.00 25.00 C ATOM 2491 O VAL B 69 12.932 18.321 -8.638 1.00 25.00 O ATOM 2492 CB VAL B 69 13.284 15.133 -9.624 1.00 25.00 C ATOM 2493 CG1 VAL B 69 13.626 14.125 -10.703 1.00 25.00 C ATOM 2494 CG2 VAL B 69 14.312 15.092 -8.496 1.00 25.00 C ATOM 0 H VAL B 69 14.922 17.480 -9.590 1.00 25.00 H new ATOM 0 HA VAL B 69 12.689 16.459 -11.214 1.00 25.00 H new ATOM 0 HB VAL B 69 12.318 14.874 -9.191 1.00 25.00 H new ATOM 0 HG11 VAL B 69 13.700 13.131 -10.262 1.00 25.00 H new ATOM 0 HG12 VAL B 69 12.845 14.127 -11.464 1.00 25.00 H new ATOM 0 HG13 VAL B 69 14.579 14.391 -11.161 1.00 25.00 H new ATOM 0 HG21 VAL B 69 14.362 14.084 -8.085 1.00 25.00 H new ATOM 0 HG22 VAL B 69 15.290 15.374 -8.885 1.00 25.00 H new ATOM 0 HG23 VAL B 69 14.019 15.789 -7.711 1.00 25.00 H new ATOM 2504 N ASP B 70 11.095 17.154 -9.220 1.00 25.00 N ATOM 2505 CA ASP B 70 10.192 17.816 -8.297 1.00 25.00 C ATOM 2506 C ASP B 70 9.640 16.691 -7.430 1.00 25.00 C ATOM 2507 O ASP B 70 10.043 15.538 -7.591 1.00 25.00 O ATOM 2508 CB ASP B 70 9.054 18.497 -9.045 1.00 25.00 C ATOM 2509 CG ASP B 70 7.962 17.521 -9.431 1.00 25.00 C ATOM 2510 OD1 ASP B 70 8.271 16.491 -10.062 1.00 25.00 O ATOM 2511 OD2 ASP B 70 6.832 17.688 -8.918 1.00 25.00 O ATOM 0 H ASP B 70 10.641 16.449 -9.801 1.00 25.00 H new ATOM 0 HA ASP B 70 10.697 18.590 -7.719 1.00 25.00 H new ATOM 0 HB2 ASP B 70 8.632 19.285 -8.422 1.00 25.00 H new ATOM 0 HB3 ASP B 70 9.446 18.976 -9.942 1.00 25.00 H new ATOM 2516 N PHE B 71 8.687 17.004 -6.567 1.00 25.00 N ATOM 2517 CA PHE B 71 8.038 15.995 -5.735 1.00 25.00 C ATOM 2518 C PHE B 71 7.484 14.812 -6.541 1.00 25.00 C ATOM 2519 O PHE B 71 7.708 13.674 -6.170 1.00 25.00 O ATOM 2520 CB PHE B 71 6.890 16.646 -4.964 1.00 25.00 C ATOM 2521 CG PHE B 71 6.101 15.679 -4.130 1.00 25.00 C ATOM 2522 CD1 PHE B 71 6.471 15.421 -2.806 1.00 25.00 C ATOM 2523 CD2 PHE B 71 4.969 15.027 -4.661 1.00 25.00 C ATOM 2524 CE1 PHE B 71 5.711 14.542 -2.013 1.00 25.00 C ATOM 2525 CE2 PHE B 71 4.210 14.141 -3.873 1.00 25.00 C ATOM 2526 CZ PHE B 71 4.578 13.915 -2.536 1.00 25.00 C ATOM 0 H PHE B 71 8.342 17.953 -6.422 1.00 25.00 H new ATOM 0 HA PHE B 71 8.799 15.600 -5.062 1.00 25.00 H new ATOM 0 HB2 PHE B 71 7.294 17.425 -4.317 1.00 25.00 H new ATOM 0 HB3 PHE B 71 6.219 17.134 -5.671 1.00 25.00 H new ATOM 0 HD1 PHE B 71 7.345 15.899 -2.390 1.00 25.00 H new ATOM 0 HD2 PHE B 71 4.680 15.210 -5.686 1.00 25.00 H new ATOM 0 HE1 PHE B 71 6.006 14.351 -0.992 1.00 25.00 H new ATOM 0 HE2 PHE B 71 3.351 13.639 -4.293 1.00 25.00 H new ATOM 0 HZ PHE B 71 3.987 13.259 -1.915 1.00 25.00 H new ATOM 2536 N GLN B 72 6.764 15.070 -7.624 1.00 25.00 N ATOM 2537 CA GLN B 72 6.145 13.998 -8.411 1.00 25.00 C ATOM 2538 C GLN B 72 7.181 12.981 -8.857 1.00 25.00 C ATOM 2539 O GLN B 72 6.989 11.782 -8.691 1.00 25.00 O ATOM 2540 CB GLN B 72 5.443 14.563 -9.648 1.00 25.00 C ATOM 2541 CG GLN B 72 4.707 13.496 -10.412 1.00 25.00 C ATOM 2542 CD GLN B 72 3.814 14.043 -11.487 1.00 25.00 C ATOM 2543 OE1 GLN B 72 3.918 15.180 -11.909 1.00 25.00 O ATOM 2544 NE2 GLN B 72 2.906 13.229 -11.916 1.00 25.00 N ATOM 0 H GLN B 72 6.591 16.009 -7.982 1.00 25.00 H new ATOM 0 HA GLN B 72 5.412 13.509 -7.769 1.00 25.00 H new ATOM 0 HB2 GLN B 72 4.742 15.341 -9.344 1.00 25.00 H new ATOM 0 HB3 GLN B 72 6.179 15.034 -10.300 1.00 25.00 H new ATOM 0 HG2 GLN B 72 5.431 12.817 -10.862 1.00 25.00 H new ATOM 0 HG3 GLN B 72 4.108 12.909 -9.716 1.00 25.00 H new ATOM 0 HE21 GLN B 72 2.850 12.283 -11.539 1.00 25.00 H new ATOM 0 HE22 GLN B 72 2.246 13.533 -12.632 1.00 25.00 H new ATOM 2553 N GLU B 73 8.279 13.457 -9.413 1.00 25.00 N ATOM 2554 CA GLU B 73 9.269 12.557 -9.999 1.00 25.00 C ATOM 2555 C GLU B 73 10.001 11.826 -8.903 1.00 25.00 C ATOM 2556 O GLU B 73 10.250 10.633 -8.982 1.00 25.00 O ATOM 2557 CB GLU B 73 10.290 13.328 -10.821 1.00 25.00 C ATOM 2558 CG GLU B 73 9.793 13.860 -12.138 1.00 25.00 C ATOM 2559 CD GLU B 73 9.272 12.756 -13.040 1.00 25.00 C ATOM 2560 OE1 GLU B 73 10.086 11.893 -13.433 1.00 25.00 O ATOM 2561 OE2 GLU B 73 8.063 12.739 -13.346 1.00 25.00 O ATOM 0 H GLU B 73 8.511 14.448 -9.474 1.00 25.00 H new ATOM 0 HA GLU B 73 8.742 11.855 -10.645 1.00 25.00 H new ATOM 0 HB2 GLU B 73 10.653 14.165 -10.225 1.00 25.00 H new ATOM 0 HB3 GLU B 73 11.144 12.677 -11.011 1.00 25.00 H new ATOM 0 HG2 GLU B 73 9.000 14.586 -11.959 1.00 25.00 H new ATOM 0 HG3 GLU B 73 10.601 14.389 -12.643 1.00 25.00 H new ATOM 2568 N TYR B 74 10.328 12.554 -7.857 1.00 25.00 N ATOM 2569 CA TYR B 74 11.045 11.990 -6.731 1.00 25.00 C ATOM 2570 C TYR B 74 10.254 10.835 -6.120 1.00 25.00 C ATOM 2571 O TYR B 74 10.826 9.801 -5.804 1.00 25.00 O ATOM 2572 CB TYR B 74 11.286 13.107 -5.725 1.00 25.00 C ATOM 2573 CG TYR B 74 11.195 12.712 -4.282 1.00 25.00 C ATOM 2574 CD1 TYR B 74 12.272 12.084 -3.632 1.00 25.00 C ATOM 2575 CD2 TYR B 74 10.039 13.002 -3.542 1.00 25.00 C ATOM 2576 CE1 TYR B 74 12.212 11.785 -2.251 1.00 25.00 C ATOM 2577 CE2 TYR B 74 9.968 12.684 -2.150 1.00 25.00 C ATOM 2578 CZ TYR B 74 11.068 12.097 -1.523 1.00 25.00 C ATOM 2579 OH TYR B 74 11.030 11.834 -0.182 1.00 25.00 O ATOM 0 H TYR B 74 10.107 13.545 -7.762 1.00 25.00 H new ATOM 0 HA TYR B 74 12.003 11.579 -7.049 1.00 25.00 H new ATOM 0 HB2 TYR B 74 12.275 13.527 -5.906 1.00 25.00 H new ATOM 0 HB3 TYR B 74 10.563 13.901 -5.912 1.00 25.00 H new ATOM 0 HD1 TYR B 74 13.157 11.826 -4.195 1.00 25.00 H new ATOM 0 HD2 TYR B 74 9.195 13.470 -4.028 1.00 25.00 H new ATOM 0 HE1 TYR B 74 13.053 11.315 -1.762 1.00 25.00 H new ATOM 0 HE2 TYR B 74 9.070 12.896 -1.588 1.00 25.00 H new ATOM 0 HH TYR B 74 10.281 12.317 0.225 1.00 25.00 H new ATOM 2589 N VAL B 75 8.943 10.981 -6.005 1.00 25.00 N ATOM 2590 CA VAL B 75 8.113 9.932 -5.410 1.00 25.00 C ATOM 2591 C VAL B 75 8.008 8.722 -6.340 1.00 25.00 C ATOM 2592 O VAL B 75 8.041 7.581 -5.879 1.00 25.00 O ATOM 2593 CB VAL B 75 6.697 10.466 -5.060 1.00 25.00 C ATOM 2594 CG1 VAL B 75 5.802 9.347 -4.573 1.00 25.00 C ATOM 2595 CG2 VAL B 75 6.784 11.522 -3.970 1.00 25.00 C ATOM 0 H VAL B 75 8.429 11.807 -6.312 1.00 25.00 H new ATOM 0 HA VAL B 75 8.597 9.617 -4.486 1.00 25.00 H new ATOM 0 HB VAL B 75 6.276 10.899 -5.967 1.00 25.00 H new ATOM 0 HG11 VAL B 75 4.816 9.747 -4.335 1.00 25.00 H new ATOM 0 HG12 VAL B 75 5.708 8.591 -5.352 1.00 25.00 H new ATOM 0 HG13 VAL B 75 6.236 8.896 -3.681 1.00 25.00 H new ATOM 0 HG21 VAL B 75 5.784 11.886 -3.736 1.00 25.00 H new ATOM 0 HG22 VAL B 75 7.230 11.086 -3.076 1.00 25.00 H new ATOM 0 HG23 VAL B 75 7.401 12.352 -4.316 1.00 25.00 H new ATOM 2605 N VAL B 76 7.944 8.950 -7.641 1.00 25.00 N ATOM 2606 CA VAL B 76 7.911 7.845 -8.610 1.00 25.00 C ATOM 2607 C VAL B 76 9.176 6.995 -8.466 1.00 25.00 C ATOM 2608 O VAL B 76 9.118 5.764 -8.435 1.00 25.00 O ATOM 2609 CB VAL B 76 7.813 8.388 -10.070 1.00 25.00 C ATOM 2610 CG1 VAL B 76 8.028 7.269 -11.106 1.00 25.00 C ATOM 2611 CG2 VAL B 76 6.436 9.035 -10.305 1.00 25.00 C ATOM 0 H VAL B 76 7.914 9.880 -8.058 1.00 25.00 H new ATOM 0 HA VAL B 76 7.031 7.235 -8.406 1.00 25.00 H new ATOM 0 HB VAL B 76 8.600 9.132 -10.195 1.00 25.00 H new ATOM 0 HG11 VAL B 76 7.953 7.684 -12.111 1.00 25.00 H new ATOM 0 HG12 VAL B 76 9.016 6.830 -10.968 1.00 25.00 H new ATOM 0 HG13 VAL B 76 7.268 6.499 -10.973 1.00 25.00 H new ATOM 0 HG21 VAL B 76 6.380 9.410 -11.327 1.00 25.00 H new ATOM 0 HG22 VAL B 76 5.654 8.293 -10.147 1.00 25.00 H new ATOM 0 HG23 VAL B 76 6.298 9.861 -9.607 1.00 25.00 H new ATOM 2621 N LEU B 77 10.319 7.652 -8.343 1.00 25.00 N ATOM 2622 CA LEU B 77 11.598 6.952 -8.226 1.00 25.00 C ATOM 2623 C LEU B 77 11.717 6.249 -6.874 1.00 25.00 C ATOM 2624 O LEU B 77 12.245 5.141 -6.778 1.00 25.00 O ATOM 2625 CB LEU B 77 12.740 7.950 -8.406 1.00 25.00 C ATOM 2626 CG LEU B 77 12.715 8.698 -9.753 1.00 25.00 C ATOM 2627 CD1 LEU B 77 13.628 9.902 -9.661 1.00 25.00 C ATOM 2628 CD2 LEU B 77 13.098 7.814 -10.926 1.00 25.00 C ATOM 0 H LEU B 77 10.392 8.669 -8.321 1.00 25.00 H new ATOM 0 HA LEU B 77 11.653 6.191 -9.004 1.00 25.00 H new ATOM 0 HB2 LEU B 77 12.702 8.679 -7.597 1.00 25.00 H new ATOM 0 HB3 LEU B 77 13.689 7.421 -8.314 1.00 25.00 H new ATOM 0 HG LEU B 77 11.691 9.018 -9.944 1.00 25.00 H new ATOM 0 HD11 LEU B 77 13.618 10.439 -10.609 1.00 25.00 H new ATOM 0 HD12 LEU B 77 13.281 10.562 -8.866 1.00 25.00 H new ATOM 0 HD13 LEU B 77 14.644 9.573 -9.441 1.00 25.00 H new ATOM 0 HD21 LEU B 77 13.062 8.396 -11.847 1.00 25.00 H new ATOM 0 HD22 LEU B 77 14.107 7.430 -10.778 1.00 25.00 H new ATOM 0 HD23 LEU B 77 12.400 6.980 -10.996 1.00 25.00 H new ATOM 2640 N VAL B 78 11.176 6.872 -5.840 1.00 25.00 N ATOM 2641 CA VAL B 78 11.135 6.281 -4.503 1.00 25.00 C ATOM 2642 C VAL B 78 10.277 5.005 -4.539 1.00 25.00 C ATOM 2643 O VAL B 78 10.664 3.971 -3.986 1.00 25.00 O ATOM 2644 CB VAL B 78 10.572 7.332 -3.488 1.00 25.00 C ATOM 2645 CG1 VAL B 78 10.054 6.698 -2.229 1.00 25.00 C ATOM 2646 CG2 VAL B 78 11.649 8.364 -3.122 1.00 25.00 C ATOM 0 H VAL B 78 10.753 7.798 -5.898 1.00 25.00 H new ATOM 0 HA VAL B 78 12.137 6.004 -4.177 1.00 25.00 H new ATOM 0 HB VAL B 78 9.737 7.823 -3.988 1.00 25.00 H new ATOM 0 HG11 VAL B 78 9.676 7.472 -1.561 1.00 25.00 H new ATOM 0 HG12 VAL B 78 9.249 6.006 -2.475 1.00 25.00 H new ATOM 0 HG13 VAL B 78 10.861 6.156 -1.736 1.00 25.00 H new ATOM 0 HG21 VAL B 78 11.237 9.085 -2.416 1.00 25.00 H new ATOM 0 HG22 VAL B 78 12.500 7.856 -2.668 1.00 25.00 H new ATOM 0 HG23 VAL B 78 11.976 8.884 -4.023 1.00 25.00 H new ATOM 2656 N ALA B 79 9.142 5.052 -5.224 1.00 25.00 N ATOM 2657 CA ALA B 79 8.267 3.890 -5.351 1.00 25.00 C ATOM 2658 C ALA B 79 8.944 2.791 -6.162 1.00 25.00 C ATOM 2659 O ALA B 79 8.812 1.615 -5.847 1.00 25.00 O ATOM 2660 CB ALA B 79 6.966 4.300 -6.016 1.00 25.00 C ATOM 0 H ALA B 79 8.803 5.886 -5.703 1.00 25.00 H new ATOM 0 HA ALA B 79 8.057 3.501 -4.355 1.00 25.00 H new ATOM 0 HB1 ALA B 79 6.315 3.431 -6.109 1.00 25.00 H new ATOM 0 HB2 ALA B 79 6.472 5.060 -5.411 1.00 25.00 H new ATOM 0 HB3 ALA B 79 7.175 4.704 -7.006 1.00 25.00 H new ATOM 2666 N ALA B 80 9.689 3.179 -7.187 1.00 25.00 N ATOM 2667 CA ALA B 80 10.413 2.222 -8.013 1.00 25.00 C ATOM 2668 C ALA B 80 11.459 1.482 -7.169 1.00 25.00 C ATOM 2669 O ALA B 80 11.643 0.274 -7.290 1.00 25.00 O ATOM 2670 CB ALA B 80 11.064 2.941 -9.184 1.00 25.00 C ATOM 0 H ALA B 80 9.808 4.152 -7.468 1.00 25.00 H new ATOM 0 HA ALA B 80 9.715 1.484 -8.408 1.00 25.00 H new ATOM 0 HB1 ALA B 80 11.604 2.221 -9.798 1.00 25.00 H new ATOM 0 HB2 ALA B 80 10.296 3.427 -9.785 1.00 25.00 H new ATOM 0 HB3 ALA B 80 11.760 3.692 -8.809 1.00 25.00 H new ATOM 2676 N LEU B 81 12.114 2.203 -6.274 1.00 25.00 N ATOM 2677 CA LEU B 81 13.090 1.582 -5.387 1.00 25.00 C ATOM 2678 C LEU B 81 12.376 0.705 -4.353 1.00 25.00 C ATOM 2679 O LEU B 81 12.884 -0.345 -3.949 1.00 25.00 O ATOM 2680 CB LEU B 81 13.937 2.663 -4.712 1.00 25.00 C ATOM 2681 CG LEU B 81 15.382 2.210 -4.461 1.00 25.00 C ATOM 2682 CD1 LEU B 81 16.351 3.371 -4.623 1.00 25.00 C ATOM 2683 CD2 LEU B 81 15.542 1.582 -3.081 1.00 25.00 C ATOM 0 H LEU B 81 11.992 3.207 -6.141 1.00 25.00 H new ATOM 0 HA LEU B 81 13.755 0.942 -5.967 1.00 25.00 H new ATOM 0 HB2 LEU B 81 13.944 3.557 -5.336 1.00 25.00 H new ATOM 0 HB3 LEU B 81 13.477 2.940 -3.763 1.00 25.00 H new ATOM 0 HG LEU B 81 15.616 1.451 -5.207 1.00 25.00 H new ATOM 0 HD11 LEU B 81 17.368 3.024 -4.440 1.00 25.00 H new ATOM 0 HD12 LEU B 81 16.279 3.766 -5.636 1.00 25.00 H new ATOM 0 HD13 LEU B 81 16.101 4.156 -3.909 1.00 25.00 H new ATOM 0 HD21 LEU B 81 16.578 1.274 -2.939 1.00 25.00 H new ATOM 0 HD22 LEU B 81 15.273 2.310 -2.316 1.00 25.00 H new ATOM 0 HD23 LEU B 81 14.890 0.712 -2.999 1.00 25.00 H new ATOM 2695 N THR B 82 11.178 1.103 -3.955 1.00 25.00 N ATOM 2696 CA THR B 82 10.369 0.318 -3.019 1.00 25.00 C ATOM 2697 C THR B 82 9.962 -1.026 -3.642 1.00 25.00 C ATOM 2698 O THR B 82 10.073 -2.075 -2.997 1.00 25.00 O ATOM 2699 CB THR B 82 9.100 1.098 -2.588 1.00 25.00 C ATOM 2700 OG1 THR B 82 9.482 2.370 -2.053 1.00 25.00 O ATOM 2701 CG2 THR B 82 8.323 0.356 -1.513 1.00 25.00 C ATOM 0 H THR B 82 10.737 1.969 -4.264 1.00 25.00 H new ATOM 0 HA THR B 82 10.981 0.129 -2.137 1.00 25.00 H new ATOM 0 HB THR B 82 8.470 1.211 -3.470 1.00 25.00 H new ATOM 0 HG1 THR B 82 9.853 2.928 -2.768 1.00 25.00 H new ATOM 0 HG21 THR B 82 7.441 0.934 -1.237 1.00 25.00 H new ATOM 0 HG22 THR B 82 8.014 -0.618 -1.894 1.00 25.00 H new ATOM 0 HG23 THR B 82 8.956 0.219 -0.636 1.00 25.00 H new ATOM 2709 N VAL B 83 9.548 -1.031 -4.903 1.00 25.00 N ATOM 2710 CA VAL B 83 9.182 -2.276 -5.566 1.00 25.00 C ATOM 2711 C VAL B 83 10.404 -3.136 -5.862 1.00 25.00 C ATOM 2712 O VAL B 83 10.281 -4.337 -5.957 1.00 25.00 O ATOM 2713 CB VAL B 83 8.271 -2.078 -6.798 1.00 25.00 C ATOM 2714 CG1 VAL B 83 6.940 -1.484 -6.354 1.00 25.00 C ATOM 2715 CG2 VAL B 83 8.914 -1.228 -7.872 1.00 25.00 C ATOM 0 H VAL B 83 9.458 -0.196 -5.482 1.00 25.00 H new ATOM 0 HA VAL B 83 8.568 -2.829 -4.855 1.00 25.00 H new ATOM 0 HB VAL B 83 8.103 -3.056 -7.248 1.00 25.00 H new ATOM 0 HG11 VAL B 83 6.296 -1.344 -7.222 1.00 25.00 H new ATOM 0 HG12 VAL B 83 6.457 -2.161 -5.649 1.00 25.00 H new ATOM 0 HG13 VAL B 83 7.114 -0.522 -5.872 1.00 25.00 H new ATOM 0 HG21 VAL B 83 8.228 -1.123 -8.713 1.00 25.00 H new ATOM 0 HG22 VAL B 83 9.144 -0.243 -7.467 1.00 25.00 H new ATOM 0 HG23 VAL B 83 9.834 -1.705 -8.211 1.00 25.00 H new ATOM 2725 N ALA B 84 11.597 -2.552 -5.874 1.00 25.00 N ATOM 2726 CA ALA B 84 12.832 -3.353 -5.937 1.00 25.00 C ATOM 2727 C ALA B 84 13.058 -4.193 -4.654 1.00 25.00 C ATOM 2728 O ALA B 84 14.091 -4.845 -4.471 1.00 25.00 O ATOM 2729 CB ALA B 84 14.057 -2.486 -6.241 1.00 25.00 C ATOM 0 H ALA B 84 11.744 -1.543 -5.842 1.00 25.00 H new ATOM 0 HA ALA B 84 12.700 -4.051 -6.763 1.00 25.00 H new ATOM 0 HB1 ALA B 84 14.947 -3.114 -6.279 1.00 25.00 H new ATOM 0 HB2 ALA B 84 13.922 -1.990 -7.202 1.00 25.00 H new ATOM 0 HB3 ALA B 84 14.175 -1.736 -5.459 1.00 25.00 H new