USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 Single : A 5 ASN : amide:sc=-0.00708 K(o=-0.0071,f=-0.96) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.8!) USER MOD Single : A 15 ASN : amide:sc= -4.32! C(o=-4.3!,f=-2.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -67:sc= 0.342 USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.0434 USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= -0.469 (180deg=-0.852) USER MOD Single : A 35 TYR OH : rot -141:sc= -1.81! USER MOD Single : A 39 SER OG : rot -39:sc= 1.09 USER MOD Single : A 42 MET CE :methyl -150:sc= -0.0453 (180deg=-0.378) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= -0.168 (180deg=-0.876) USER MOD Single : A 47 SER OG : rot 170:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.2) USER MOD Single : A 55 TYR OH : rot 19:sc= -1.34 USER MOD Single : A 56 ASN : amide:sc= -4.78! K(o=-4.8!,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 22:sc= 0.299 USER MOD Single : A 73 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-0.31) USER MOD Single : A 75 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 76 ASN : amide:sc= -0.66 K(o=-0.66,f=-4.4!) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= -0.0288 (180deg=-0.262) USER MOD Single : A 84 SER OG : rot 180:sc= -0.197 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 140:sc= -0.196 (180deg=-1.23) USER MOD Single : A 98 ASN : amide:sc= -4.84! K(o=-4.8!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -19.401 -2.363 -2.482 1.00 0.00 N ATOM 42 CA ASP A 4 -18.897 -3.744 -2.732 1.00 0.00 C ATOM 43 C ASP A 4 -17.640 -3.672 -3.602 1.00 0.00 C ATOM 44 O ASP A 4 -17.707 -3.383 -4.781 1.00 0.00 O ATOM 45 CB ASP A 4 -19.973 -4.562 -3.455 1.00 0.00 C ATOM 46 CG ASP A 4 -20.537 -3.746 -4.620 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.949 -2.622 -4.386 1.00 0.00 O ATOM 48 OD2 ASP A 4 -20.547 -4.259 -5.727 1.00 0.00 O ATOM 0 HA ASP A 4 -18.659 -4.223 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.549 -5.496 -3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.772 -4.826 -2.762 1.00 0.00 H new ATOM 53 N ASN A 5 -16.492 -3.931 -3.034 1.00 0.00 N ATOM 54 CA ASN A 5 -15.233 -3.877 -3.832 1.00 0.00 C ATOM 55 C ASN A 5 -14.139 -4.667 -3.109 1.00 0.00 C ATOM 56 O ASN A 5 -13.784 -4.374 -1.981 1.00 0.00 O ATOM 57 CB ASN A 5 -14.795 -2.419 -3.995 1.00 0.00 C ATOM 58 CG ASN A 5 -13.458 -2.362 -4.739 1.00 0.00 C ATOM 59 OD1 ASN A 5 -13.174 -3.204 -5.566 1.00 0.00 O ATOM 60 ND2 ASN A 5 -12.620 -1.397 -4.475 1.00 0.00 N ATOM 0 H ASN A 5 -16.372 -4.178 -2.052 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.404 -4.314 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.553 -1.861 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.699 -1.947 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.726 -1.350 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.859 -0.690 -3.780 1.00 0.00 H new ATOM 67 N GLU A 6 -13.601 -5.669 -3.756 1.00 0.00 N ATOM 68 CA GLU A 6 -12.527 -6.491 -3.125 1.00 0.00 C ATOM 69 C GLU A 6 -11.731 -7.211 -4.217 1.00 0.00 C ATOM 70 O GLU A 6 -12.215 -7.427 -5.311 1.00 0.00 O ATOM 71 CB GLU A 6 -13.157 -7.524 -2.188 1.00 0.00 C ATOM 72 CG GLU A 6 -14.178 -8.362 -2.961 1.00 0.00 C ATOM 73 CD GLU A 6 -14.891 -9.312 -1.997 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.346 -9.568 -0.936 1.00 0.00 O ATOM 75 OE2 GLU A 6 -15.972 -9.767 -2.336 1.00 0.00 O ATOM 0 H GLU A 6 -13.862 -5.954 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.861 -5.844 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.385 -8.169 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.642 -7.022 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.903 -7.711 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.679 -8.930 -3.746 1.00 0.00 H new ATOM 82 N ILE A 7 -10.508 -7.576 -3.931 1.00 0.00 N ATOM 83 CA ILE A 7 -9.662 -8.276 -4.949 1.00 0.00 C ATOM 84 C ILE A 7 -8.700 -9.231 -4.240 1.00 0.00 C ATOM 85 O ILE A 7 -8.484 -9.138 -3.048 1.00 0.00 O ATOM 86 CB ILE A 7 -8.864 -7.242 -5.748 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.085 -6.347 -4.780 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.821 -6.385 -6.584 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.325 -5.276 -5.562 1.00 0.00 C ATOM 0 H ILE A 7 -10.055 -7.419 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.301 -8.842 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.168 -7.754 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.770 -5.877 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.387 -6.948 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.250 -5.650 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.375 -7.024 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.520 -5.871 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.773 -4.642 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.628 -5.754 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.032 -4.667 -6.126 1.00 0.00 H new ATOM 101 N SER A 8 -8.122 -10.155 -4.971 1.00 0.00 N ATOM 102 CA SER A 8 -7.167 -11.138 -4.360 1.00 0.00 C ATOM 103 C SER A 8 -5.947 -11.297 -5.267 1.00 0.00 C ATOM 104 O SER A 8 -6.040 -11.226 -6.476 1.00 0.00 O ATOM 105 CB SER A 8 -7.863 -12.492 -4.209 1.00 0.00 C ATOM 106 OG SER A 8 -8.964 -12.356 -3.320 1.00 0.00 O ATOM 0 H SER A 8 -8.272 -10.272 -5.973 1.00 0.00 H new ATOM 0 HA SER A 8 -6.849 -10.776 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.207 -12.848 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.162 -13.234 -3.827 1.00 0.00 H new ATOM 0 HG SER A 8 -9.414 -13.221 -3.222 1.00 0.00 H new ATOM 112 N VAL A 9 -4.801 -11.519 -4.681 1.00 0.00 N ATOM 113 CA VAL A 9 -3.549 -11.697 -5.479 1.00 0.00 C ATOM 114 C VAL A 9 -2.652 -12.696 -4.751 1.00 0.00 C ATOM 115 O VAL A 9 -1.894 -12.338 -3.871 1.00 0.00 O ATOM 116 CB VAL A 9 -2.824 -10.355 -5.603 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.653 -10.497 -6.577 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.797 -9.295 -6.128 1.00 0.00 C ATOM 0 H VAL A 9 -4.676 -11.586 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.789 -12.064 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.450 -10.053 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.136 -9.542 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.960 -11.251 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.028 -10.799 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.281 -8.339 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.171 -9.597 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.633 -9.193 -5.436 1.00 0.00 H new ATOM 128 N GLY A 10 -2.745 -13.950 -5.097 1.00 0.00 N ATOM 129 CA GLY A 10 -1.911 -14.977 -4.412 1.00 0.00 C ATOM 130 C GLY A 10 -2.531 -15.286 -3.048 1.00 0.00 C ATOM 131 O GLY A 10 -3.619 -15.819 -2.961 1.00 0.00 O ATOM 0 H GLY A 10 -3.363 -14.308 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.857 -15.883 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.891 -14.614 -4.289 1.00 0.00 H new ATOM 135 N ASN A 11 -1.844 -14.952 -1.981 1.00 0.00 N ATOM 136 CA ASN A 11 -2.379 -15.217 -0.604 1.00 0.00 C ATOM 137 C ASN A 11 -2.843 -13.903 0.030 1.00 0.00 C ATOM 138 O ASN A 11 -3.182 -13.856 1.199 1.00 0.00 O ATOM 139 CB ASN A 11 -1.270 -15.824 0.256 1.00 0.00 C ATOM 140 CG ASN A 11 -0.906 -17.209 -0.281 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.784 -17.398 -1.475 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.725 -18.193 0.557 1.00 0.00 N ATOM 0 H ASN A 11 -0.928 -14.504 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.221 -15.907 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.393 -15.177 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.599 -15.899 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.481 -19.120 0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.827 -18.035 1.559 1.00 0.00 H new ATOM 149 N LEU A 12 -2.832 -12.824 -0.721 1.00 0.00 N ATOM 150 CA LEU A 12 -3.248 -11.496 -0.165 1.00 0.00 C ATOM 151 C LEU A 12 -4.681 -11.173 -0.600 1.00 0.00 C ATOM 152 O LEU A 12 -4.976 -11.101 -1.778 1.00 0.00 O ATOM 153 CB LEU A 12 -2.298 -10.412 -0.704 1.00 0.00 C ATOM 154 CG LEU A 12 -0.850 -10.915 -0.664 1.00 0.00 C ATOM 155 CD1 LEU A 12 0.087 -9.790 -1.105 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.490 -11.351 0.763 1.00 0.00 C ATOM 0 H LEU A 12 -2.551 -12.808 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.204 -11.528 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.573 -10.152 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.393 -9.505 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.744 -11.767 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.118 -10.143 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.165 -9.483 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.023 -8.940 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.540 -11.707 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.596 -10.503 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.158 -12.152 1.078 1.00 0.00 H new ATOM 168 N ARG A 13 -5.568 -10.957 0.345 1.00 0.00 N ATOM 169 CA ARG A 13 -6.993 -10.612 0.013 1.00 0.00 C ATOM 170 C ARG A 13 -7.279 -9.194 0.505 1.00 0.00 C ATOM 171 O ARG A 13 -6.994 -8.852 1.635 1.00 0.00 O ATOM 172 CB ARG A 13 -7.939 -11.605 0.691 1.00 0.00 C ATOM 173 CG ARG A 13 -7.484 -13.033 0.386 1.00 0.00 C ATOM 174 CD ARG A 13 -8.550 -14.023 0.859 1.00 0.00 C ATOM 175 NE ARG A 13 -8.140 -15.407 0.487 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.008 -16.382 0.538 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.235 -16.146 0.910 1.00 0.00 N ATOM 178 NH2 ARG A 13 -8.645 -17.594 0.215 1.00 0.00 N ATOM 0 H ARG A 13 -5.364 -11.005 1.343 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.149 -10.666 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.948 -11.437 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.958 -11.453 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.313 -13.150 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.536 -13.238 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.678 -13.948 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.512 -13.783 0.406 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.181 -15.593 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.518 -15.199 1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.912 -16.908 0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.685 -17.778 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.321 -18.356 0.254 1.00 0.00 H new ATOM 192 N LEU A 14 -7.822 -8.357 -0.350 1.00 0.00 N ATOM 193 CA LEU A 14 -8.123 -6.935 0.031 1.00 0.00 C ATOM 194 C LEU A 14 -9.638 -6.713 0.013 1.00 0.00 C ATOM 195 O LEU A 14 -10.329 -7.175 -0.873 1.00 0.00 O ATOM 196 CB LEU A 14 -7.453 -6.006 -0.993 1.00 0.00 C ATOM 197 CG LEU A 14 -7.826 -4.533 -0.740 1.00 0.00 C ATOM 198 CD1 LEU A 14 -7.440 -4.118 0.689 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.075 -3.658 -1.748 1.00 0.00 C ATOM 0 H LEU A 14 -8.073 -8.601 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.744 -6.724 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.371 -6.124 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.756 -6.292 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.902 -4.407 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.711 -3.075 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.970 -4.745 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.365 -4.239 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.329 -2.611 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.001 -3.796 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.359 -3.944 -2.761 1.00 0.00 H new ATOM 211 N ASN A 15 -10.154 -5.999 0.985 1.00 0.00 N ATOM 212 CA ASN A 15 -11.629 -5.721 1.041 1.00 0.00 C ATOM 213 C ASN A 15 -11.852 -4.239 1.371 1.00 0.00 C ATOM 214 O ASN A 15 -11.815 -3.834 2.517 1.00 0.00 O ATOM 215 CB ASN A 15 -12.273 -6.597 2.128 1.00 0.00 C ATOM 216 CG ASN A 15 -12.446 -8.030 1.609 1.00 0.00 C ATOM 217 OD1 ASN A 15 -13.533 -8.570 1.636 1.00 0.00 O ATOM 218 ND2 ASN A 15 -11.412 -8.671 1.137 1.00 0.00 N ATOM 0 H ASN A 15 -9.614 -5.593 1.749 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.084 -5.951 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.651 -6.598 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.241 -6.185 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.518 -9.625 0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.498 -8.218 1.114 1.00 0.00 H new ATOM 225 N VAL A 16 -12.087 -3.431 0.371 1.00 0.00 N ATOM 226 CA VAL A 16 -12.320 -1.976 0.609 1.00 0.00 C ATOM 227 C VAL A 16 -13.703 -1.781 1.221 1.00 0.00 C ATOM 228 O VAL A 16 -13.945 -0.843 1.955 1.00 0.00 O ATOM 229 CB VAL A 16 -12.246 -1.232 -0.724 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.250 0.277 -0.470 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.960 -1.622 -1.455 1.00 0.00 C ATOM 0 H VAL A 16 -12.128 -3.718 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.562 -1.587 1.289 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.108 -1.499 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.197 0.806 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.166 0.556 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.389 0.545 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.907 -1.092 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.098 -1.356 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.957 -2.696 -1.638 1.00 0.00 H new ATOM 241 N THR A 17 -14.612 -2.662 0.924 1.00 0.00 N ATOM 242 CA THR A 17 -15.987 -2.539 1.484 1.00 0.00 C ATOM 243 C THR A 17 -15.929 -2.660 3.012 1.00 0.00 C ATOM 244 O THR A 17 -16.387 -1.793 3.728 1.00 0.00 O ATOM 245 CB THR A 17 -16.880 -3.658 0.907 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.852 -4.040 1.871 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.025 -4.880 0.536 1.00 0.00 C ATOM 0 H THR A 17 -14.463 -3.467 0.315 1.00 0.00 H new ATOM 0 HA THR A 17 -16.405 -1.569 1.214 1.00 0.00 H new ATOM 0 HB THR A 17 -17.378 -3.284 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.418 -4.749 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.666 -5.663 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.285 -4.593 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.517 -5.252 1.426 1.00 0.00 H new ATOM 255 N ARG A 18 -15.367 -3.730 3.514 1.00 0.00 N ATOM 256 CA ARG A 18 -15.273 -3.912 4.994 1.00 0.00 C ATOM 257 C ARG A 18 -13.979 -3.269 5.489 1.00 0.00 C ATOM 258 O ARG A 18 -13.800 -3.034 6.665 1.00 0.00 O ATOM 259 CB ARG A 18 -15.257 -5.407 5.322 1.00 0.00 C ATOM 260 CG ARG A 18 -16.460 -6.087 4.665 1.00 0.00 C ATOM 261 CD ARG A 18 -16.491 -7.567 5.057 1.00 0.00 C ATOM 262 NE ARG A 18 -15.371 -8.284 4.382 1.00 0.00 N ATOM 263 CZ ARG A 18 -15.357 -9.590 4.350 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.324 -10.268 4.906 1.00 0.00 N ATOM 265 NH2 ARG A 18 -14.376 -10.217 3.761 1.00 0.00 N ATOM 0 H ARG A 18 -14.968 -4.488 2.960 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.129 -3.445 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.331 -5.858 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.288 -5.554 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.383 -5.598 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.399 -5.989 3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.403 -7.670 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.445 -8.010 4.771 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.616 -7.755 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.091 -9.778 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.312 -11.288 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.621 -9.688 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.365 -11.237 3.736 1.00 0.00 H new ATOM 279 N ARG A 19 -13.077 -2.995 4.586 1.00 0.00 N ATOM 280 CA ARG A 19 -11.779 -2.370 4.973 1.00 0.00 C ATOM 281 C ARG A 19 -10.955 -3.390 5.773 1.00 0.00 C ATOM 282 O ARG A 19 -10.677 -3.204 6.941 1.00 0.00 O ATOM 283 CB ARG A 19 -12.054 -1.096 5.812 1.00 0.00 C ATOM 284 CG ARG A 19 -10.912 -0.063 5.671 1.00 0.00 C ATOM 285 CD ARG A 19 -9.715 -0.463 6.542 1.00 0.00 C ATOM 286 NE ARG A 19 -10.148 -0.591 7.962 1.00 0.00 N ATOM 287 CZ ARG A 19 -9.269 -0.852 8.891 1.00 0.00 C ATOM 288 NH1 ARG A 19 -8.011 -0.999 8.578 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.649 -0.967 10.135 1.00 0.00 N ATOM 0 H ARG A 19 -13.184 -3.179 3.588 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.214 -2.082 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.994 -0.646 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.171 -1.369 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.603 0.006 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.269 0.924 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.298 -1.407 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.926 0.284 6.458 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.131 -0.475 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.713 -0.910 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.325 -1.203 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.632 -0.853 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.962 -1.171 10.861 1.00 0.00 H new ATOM 303 N LEU A 20 -10.557 -4.466 5.142 1.00 0.00 N ATOM 304 CA LEU A 20 -9.744 -5.512 5.834 1.00 0.00 C ATOM 305 C LEU A 20 -8.731 -6.083 4.841 1.00 0.00 C ATOM 306 O LEU A 20 -9.027 -6.255 3.675 1.00 0.00 O ATOM 307 CB LEU A 20 -10.651 -6.650 6.323 1.00 0.00 C ATOM 308 CG LEU A 20 -11.575 -6.176 7.458 1.00 0.00 C ATOM 309 CD1 LEU A 20 -12.580 -7.292 7.774 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.758 -5.839 8.727 1.00 0.00 C ATOM 0 H LEU A 20 -10.764 -4.666 4.164 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.236 -5.065 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.252 -7.022 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.039 -7.482 6.672 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.098 -5.274 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.242 -6.969 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.170 -7.513 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.043 -8.188 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.432 -5.506 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.220 -6.727 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.045 -5.046 8.501 1.00 0.00 H new ATOM 322 N VAL A 21 -7.535 -6.378 5.296 1.00 0.00 N ATOM 323 CA VAL A 21 -6.479 -6.943 4.394 1.00 0.00 C ATOM 324 C VAL A 21 -5.885 -8.196 5.046 1.00 0.00 C ATOM 325 O VAL A 21 -5.458 -8.162 6.182 1.00 0.00 O ATOM 326 CB VAL A 21 -5.367 -5.897 4.205 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.515 -6.253 2.982 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.997 -4.513 4.009 1.00 0.00 C ATOM 0 H VAL A 21 -7.243 -6.250 6.265 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.913 -7.199 3.427 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.730 -5.886 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.730 -5.507 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.063 -7.234 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.145 -6.271 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.210 -3.771 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.637 -4.526 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.592 -4.257 4.886 1.00 0.00 H new ATOM 338 N TRP A 22 -5.848 -9.300 4.337 1.00 0.00 N ATOM 339 CA TRP A 22 -5.270 -10.561 4.911 1.00 0.00 C ATOM 340 C TRP A 22 -3.878 -10.790 4.320 1.00 0.00 C ATOM 341 O TRP A 22 -3.636 -10.535 3.155 1.00 0.00 O ATOM 342 CB TRP A 22 -6.177 -11.747 4.559 1.00 0.00 C ATOM 343 CG TRP A 22 -7.431 -11.686 5.376 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.645 -12.384 6.516 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.640 -10.902 5.144 1.00 0.00 C ATOM 346 NE1 TRP A 22 -8.905 -12.078 6.998 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.557 -11.170 6.188 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.026 -9.994 4.141 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.811 -10.559 6.237 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.288 -9.378 4.187 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.177 -9.660 5.234 1.00 0.00 C ATOM 0 H TRP A 22 -6.194 -9.383 3.381 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.198 -10.471 5.995 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.422 -11.726 3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.654 -12.685 4.747 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.946 -13.068 6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.304 -12.475 7.849 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.348 -9.769 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.493 -10.780 7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.575 -8.683 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.145 -9.182 5.264 1.00 0.00 H new ATOM 362 N LEU A 23 -2.964 -11.276 5.126 1.00 0.00 N ATOM 363 CA LEU A 23 -1.562 -11.543 4.659 1.00 0.00 C ATOM 364 C LEU A 23 -1.224 -12.987 5.017 1.00 0.00 C ATOM 365 O LEU A 23 -0.958 -13.303 6.158 1.00 0.00 O ATOM 366 CB LEU A 23 -0.611 -10.571 5.380 1.00 0.00 C ATOM 367 CG LEU A 23 0.865 -10.954 5.163 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.186 -11.000 3.663 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.755 -9.902 5.842 1.00 0.00 C ATOM 0 H LEU A 23 -3.132 -11.504 6.106 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.462 -11.397 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.782 -9.558 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.833 -10.568 6.447 1.00 0.00 H new ATOM 0 HG LEU A 23 1.050 -11.938 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.232 -11.272 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.551 -11.741 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.004 -10.020 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.803 -10.163 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.560 -8.923 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.535 -9.873 6.909 1.00 0.00 H new ATOM 381 N GLY A 24 -1.250 -13.878 4.064 1.00 0.00 N ATOM 382 CA GLY A 24 -0.950 -15.301 4.385 1.00 0.00 C ATOM 383 C GLY A 24 -2.173 -15.900 5.080 1.00 0.00 C ATOM 384 O GLY A 24 -2.070 -16.549 6.100 1.00 0.00 O ATOM 0 H GLY A 24 -1.464 -13.685 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.720 -15.856 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.074 -15.369 5.030 1.00 0.00 H new ATOM 388 N GLU A 25 -3.330 -15.671 4.520 1.00 0.00 N ATOM 389 CA GLU A 25 -4.591 -16.203 5.114 1.00 0.00 C ATOM 390 C GLU A 25 -4.793 -15.641 6.528 1.00 0.00 C ATOM 391 O GLU A 25 -5.744 -15.988 7.200 1.00 0.00 O ATOM 392 CB GLU A 25 -4.541 -17.736 5.168 1.00 0.00 C ATOM 393 CG GLU A 25 -4.040 -18.284 3.829 1.00 0.00 C ATOM 394 CD GLU A 25 -4.952 -17.792 2.701 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.930 -18.465 2.421 1.00 0.00 O ATOM 396 OE2 GLU A 25 -4.656 -16.752 2.138 1.00 0.00 O ATOM 0 H GLU A 25 -3.457 -15.130 3.664 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.428 -15.893 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.882 -18.060 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.532 -18.134 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.015 -17.957 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.028 -19.374 3.852 1.00 0.00 H new ATOM 403 N THR A 26 -3.913 -14.773 6.988 1.00 0.00 N ATOM 404 CA THR A 26 -4.063 -14.181 8.366 1.00 0.00 C ATOM 405 C THR A 26 -4.463 -12.710 8.258 1.00 0.00 C ATOM 406 O THR A 26 -4.005 -11.991 7.395 1.00 0.00 O ATOM 407 CB THR A 26 -2.737 -14.288 9.126 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.705 -13.668 8.376 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.392 -15.761 9.356 1.00 0.00 C ATOM 0 H THR A 26 -3.097 -14.449 6.469 1.00 0.00 H new ATOM 0 HA THR A 26 -4.836 -14.730 8.903 1.00 0.00 H new ATOM 0 HB THR A 26 -2.833 -13.786 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.538 -14.184 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.448 -15.834 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.182 -16.233 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.299 -16.267 8.395 1.00 0.00 H new ATOM 417 N ALA A 27 -5.324 -12.258 9.130 1.00 0.00 N ATOM 418 CA ALA A 27 -5.771 -10.835 9.082 1.00 0.00 C ATOM 419 C ALA A 27 -4.582 -9.902 9.328 1.00 0.00 C ATOM 420 O ALA A 27 -4.006 -9.884 10.397 1.00 0.00 O ATOM 421 CB ALA A 27 -6.830 -10.600 10.161 1.00 0.00 C ATOM 0 H ALA A 27 -5.739 -12.815 9.877 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.191 -10.626 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.158 -9.561 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.682 -11.256 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.405 -10.815 11.141 1.00 0.00 H new ATOM 427 N LEU A 28 -4.220 -9.116 8.347 1.00 0.00 N ATOM 428 CA LEU A 28 -3.078 -8.169 8.520 1.00 0.00 C ATOM 429 C LEU A 28 -3.585 -6.919 9.245 1.00 0.00 C ATOM 430 O LEU A 28 -4.610 -6.368 8.899 1.00 0.00 O ATOM 431 CB LEU A 28 -2.532 -7.785 7.137 1.00 0.00 C ATOM 432 CG LEU A 28 -1.295 -6.874 7.266 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.134 -7.624 7.958 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.855 -6.428 5.861 1.00 0.00 C ATOM 0 H LEU A 28 -4.668 -9.089 7.431 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.283 -8.633 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.269 -8.686 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.307 -7.274 6.565 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.554 -6.006 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.729 -6.963 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.446 -7.937 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.135 -8.501 7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.020 -5.783 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.606 -7.304 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.667 -5.880 5.382 1.00 0.00 H new ATOM 446 N ASP A 29 -2.875 -6.468 10.252 1.00 0.00 N ATOM 447 CA ASP A 29 -3.309 -5.250 11.013 1.00 0.00 C ATOM 448 C ASP A 29 -2.491 -4.043 10.553 1.00 0.00 C ATOM 449 O ASP A 29 -1.303 -3.965 10.792 1.00 0.00 O ATOM 450 CB ASP A 29 -3.068 -5.480 12.507 1.00 0.00 C ATOM 451 CG ASP A 29 -4.025 -6.558 13.020 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.339 -7.456 12.255 1.00 0.00 O ATOM 453 OD2 ASP A 29 -4.425 -6.469 14.168 1.00 0.00 O ATOM 0 H ASP A 29 -2.008 -6.893 10.582 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.368 -5.064 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.035 -5.785 12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.221 -4.552 13.058 1.00 0.00 H new ATOM 458 N LEU A 30 -3.120 -3.100 9.889 1.00 0.00 N ATOM 459 CA LEU A 30 -2.391 -1.886 9.400 1.00 0.00 C ATOM 460 C LEU A 30 -3.238 -0.642 9.678 1.00 0.00 C ATOM 461 O LEU A 30 -4.452 -0.686 9.653 1.00 0.00 O ATOM 462 CB LEU A 30 -2.140 -2.003 7.885 1.00 0.00 C ATOM 463 CG LEU A 30 -3.454 -2.372 7.133 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.471 -1.716 5.744 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.565 -3.899 6.961 1.00 0.00 C ATOM 0 H LEU A 30 -4.115 -3.121 9.664 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.435 -1.806 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.750 -1.060 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.382 -2.762 7.695 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.296 -2.010 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.394 -1.981 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.414 -0.633 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.617 -2.068 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.488 -4.140 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.714 -4.263 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.572 -4.376 7.941 1.00 0.00 H new ATOM 477 N THR A 31 -2.606 0.466 9.943 1.00 0.00 N ATOM 478 CA THR A 31 -3.372 1.713 10.220 1.00 0.00 C ATOM 479 C THR A 31 -4.270 2.015 9.011 1.00 0.00 C ATOM 480 O THR A 31 -3.950 1.645 7.900 1.00 0.00 O ATOM 481 CB THR A 31 -2.381 2.868 10.436 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.350 2.787 9.462 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.764 2.769 11.835 1.00 0.00 C ATOM 0 H THR A 31 -1.591 0.563 9.980 1.00 0.00 H new ATOM 0 HA THR A 31 -3.987 1.594 11.112 1.00 0.00 H new ATOM 0 HB THR A 31 -2.907 3.818 10.341 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.128 3.687 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.063 3.590 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.553 2.826 12.585 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.237 1.820 11.934 1.00 0.00 H new ATOM 491 N PRO A 32 -5.387 2.681 9.208 1.00 0.00 N ATOM 492 CA PRO A 32 -6.314 3.015 8.085 1.00 0.00 C ATOM 493 C PRO A 32 -5.625 3.897 7.035 1.00 0.00 C ATOM 494 O PRO A 32 -5.889 3.796 5.853 1.00 0.00 O ATOM 495 CB PRO A 32 -7.486 3.754 8.772 1.00 0.00 C ATOM 496 CG PRO A 32 -6.923 4.240 10.073 1.00 0.00 C ATOM 497 CD PRO A 32 -5.894 3.190 10.496 1.00 0.00 C ATOM 0 HA PRO A 32 -6.646 2.132 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.843 4.583 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.334 3.088 8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.458 5.219 9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.706 4.345 10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.097 3.626 11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.348 2.398 11.092 1.00 0.00 H new ATOM 505 N LYS A 33 -4.736 4.755 7.459 1.00 0.00 N ATOM 506 CA LYS A 33 -4.029 5.631 6.485 1.00 0.00 C ATOM 507 C LYS A 33 -3.316 4.755 5.451 1.00 0.00 C ATOM 508 O LYS A 33 -3.459 4.941 4.260 1.00 0.00 O ATOM 509 CB LYS A 33 -3.001 6.503 7.224 1.00 0.00 C ATOM 510 CG LYS A 33 -3.617 7.076 8.509 1.00 0.00 C ATOM 511 CD LYS A 33 -4.934 7.796 8.191 1.00 0.00 C ATOM 512 CE LYS A 33 -5.357 8.650 9.388 1.00 0.00 C ATOM 513 NZ LYS A 33 -5.351 7.815 10.623 1.00 0.00 N ATOM 0 H LYS A 33 -4.470 4.886 8.435 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.748 6.278 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.119 5.911 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.670 7.315 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.797 6.273 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.919 7.770 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.812 8.424 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.711 7.068 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.677 9.494 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.352 9.063 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.200 8.023 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.347 6.808 10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.502 8.030 11.184 1.00 0.00 H new ATOM 527 N GLU A 34 -2.551 3.795 5.898 1.00 0.00 N ATOM 528 CA GLU A 34 -1.837 2.910 4.939 1.00 0.00 C ATOM 529 C GLU A 34 -2.861 2.255 4.006 1.00 0.00 C ATOM 530 O GLU A 34 -2.605 2.045 2.837 1.00 0.00 O ATOM 531 CB GLU A 34 -1.064 1.831 5.720 1.00 0.00 C ATOM 532 CG GLU A 34 0.022 1.204 4.835 1.00 0.00 C ATOM 533 CD GLU A 34 -0.628 0.438 3.681 1.00 0.00 C ATOM 534 OE1 GLU A 34 -1.225 -0.593 3.944 1.00 0.00 O ATOM 535 OE2 GLU A 34 -0.517 0.894 2.556 1.00 0.00 O ATOM 0 H GLU A 34 -2.391 3.587 6.884 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.131 3.492 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.609 2.271 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.752 1.059 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.679 1.981 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.642 0.531 5.427 1.00 0.00 H new ATOM 542 N TYR A 35 -4.021 1.936 4.514 1.00 0.00 N ATOM 543 CA TYR A 35 -5.060 1.302 3.656 1.00 0.00 C ATOM 544 C TYR A 35 -5.318 2.200 2.440 1.00 0.00 C ATOM 545 O TYR A 35 -5.592 1.726 1.354 1.00 0.00 O ATOM 546 CB TYR A 35 -6.354 1.125 4.471 1.00 0.00 C ATOM 547 CG TYR A 35 -7.250 0.083 3.818 1.00 0.00 C ATOM 548 CD1 TYR A 35 -7.924 0.383 2.624 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.413 -1.179 4.410 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.753 -0.578 2.026 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.242 -2.135 3.810 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.909 -1.835 2.621 1.00 0.00 C ATOM 553 OH TYR A 35 -9.718 -2.784 2.034 1.00 0.00 O ATOM 0 H TYR A 35 -4.293 2.087 5.485 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.721 0.324 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.112 0.820 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.881 2.076 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.804 1.354 2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.898 -1.413 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.271 -0.348 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.365 -3.105 4.268 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.213 -3.266 2.728 1.00 0.00 H new ATOM 563 N ALA A 36 -5.227 3.493 2.613 1.00 0.00 N ATOM 564 CA ALA A 36 -5.463 4.415 1.465 1.00 0.00 C ATOM 565 C ALA A 36 -4.340 4.255 0.443 1.00 0.00 C ATOM 566 O ALA A 36 -4.577 4.018 -0.726 1.00 0.00 O ATOM 567 CB ALA A 36 -5.478 5.865 1.957 1.00 0.00 C ATOM 0 H ALA A 36 -5.000 3.948 3.497 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.422 4.172 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.651 6.534 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.275 5.992 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.519 6.103 2.418 1.00 0.00 H new ATOM 573 N LEU A 37 -3.117 4.368 0.877 1.00 0.00 N ATOM 574 CA LEU A 37 -1.985 4.216 -0.073 1.00 0.00 C ATOM 575 C LEU A 37 -2.052 2.809 -0.670 1.00 0.00 C ATOM 576 O LEU A 37 -1.698 2.583 -1.810 1.00 0.00 O ATOM 577 CB LEU A 37 -0.653 4.410 0.662 1.00 0.00 C ATOM 578 CG LEU A 37 -0.454 5.889 1.042 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.539 6.340 2.036 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.932 6.060 1.684 1.00 0.00 C ATOM 0 H LEU A 37 -2.854 4.558 1.844 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.053 4.965 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.634 3.792 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.170 4.078 0.029 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.528 6.501 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.383 7.388 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.522 6.221 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.481 5.732 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.081 7.105 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.998 5.440 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.702 5.757 0.974 1.00 0.00 H new ATOM 592 N LEU A 38 -2.517 1.862 0.102 1.00 0.00 N ATOM 593 CA LEU A 38 -2.626 0.465 -0.401 1.00 0.00 C ATOM 594 C LEU A 38 -3.619 0.423 -1.565 1.00 0.00 C ATOM 595 O LEU A 38 -3.366 -0.184 -2.586 1.00 0.00 O ATOM 596 CB LEU A 38 -3.123 -0.445 0.733 1.00 0.00 C ATOM 597 CG LEU A 38 -3.021 -1.936 0.325 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.586 -2.456 0.514 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.967 -2.770 1.197 1.00 0.00 C ATOM 0 H LEU A 38 -2.827 1.999 1.064 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.651 0.119 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.533 -0.268 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.157 -0.199 0.976 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.296 -2.024 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.538 -3.505 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.904 -1.875 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.298 -2.358 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.896 -3.819 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.688 -2.660 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.991 -2.424 1.056 1.00 0.00 H new ATOM 611 N SER A 39 -4.749 1.060 -1.418 1.00 0.00 N ATOM 612 CA SER A 39 -5.760 1.053 -2.514 1.00 0.00 C ATOM 613 C SER A 39 -5.104 1.526 -3.810 1.00 0.00 C ATOM 614 O SER A 39 -5.453 1.095 -4.890 1.00 0.00 O ATOM 615 CB SER A 39 -6.912 1.991 -2.153 1.00 0.00 C ATOM 616 OG SER A 39 -6.446 3.335 -2.166 1.00 0.00 O ATOM 0 H SER A 39 -5.016 1.585 -0.586 1.00 0.00 H new ATOM 0 HA SER A 39 -6.146 0.042 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.730 1.871 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.305 1.740 -1.168 1.00 0.00 H new ATOM 0 HG SER A 39 -5.543 3.372 -1.786 1.00 0.00 H new ATOM 622 N ARG A 40 -4.152 2.413 -3.710 1.00 0.00 N ATOM 623 CA ARG A 40 -3.465 2.919 -4.933 1.00 0.00 C ATOM 624 C ARG A 40 -2.415 1.899 -5.391 1.00 0.00 C ATOM 625 O ARG A 40 -2.309 1.586 -6.561 1.00 0.00 O ATOM 626 CB ARG A 40 -2.780 4.253 -4.604 1.00 0.00 C ATOM 627 CG ARG A 40 -3.828 5.380 -4.473 1.00 0.00 C ATOM 628 CD ARG A 40 -4.228 5.924 -5.856 1.00 0.00 C ATOM 629 NE ARG A 40 -4.998 7.187 -5.680 1.00 0.00 N ATOM 630 CZ ARG A 40 -5.620 7.719 -6.697 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.569 7.145 -7.868 1.00 0.00 N ATOM 632 NH2 ARG A 40 -6.293 8.826 -6.541 1.00 0.00 N ATOM 0 H ARG A 40 -3.819 2.810 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.192 3.066 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.218 4.161 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.063 4.504 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.711 5.002 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.424 6.188 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.339 6.107 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.830 5.188 -6.390 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.039 7.636 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.043 6.280 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.055 7.562 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.332 9.274 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.780 9.243 -7.334 1.00 0.00 H new ATOM 646 N LEU A 41 -1.636 1.384 -4.480 1.00 0.00 N ATOM 647 CA LEU A 41 -0.591 0.393 -4.866 1.00 0.00 C ATOM 648 C LEU A 41 -1.241 -0.809 -5.556 1.00 0.00 C ATOM 649 O LEU A 41 -0.782 -1.269 -6.582 1.00 0.00 O ATOM 650 CB LEU A 41 0.153 -0.082 -3.609 1.00 0.00 C ATOM 651 CG LEU A 41 1.035 1.053 -3.041 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.405 0.739 -1.581 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.329 1.203 -3.869 1.00 0.00 C ATOM 0 H LEU A 41 -1.677 1.606 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 41 0.112 0.864 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.565 -0.405 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.772 -0.946 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 41 0.472 1.985 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.027 1.541 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.496 0.655 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.955 -0.201 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.936 2.007 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.892 0.270 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.074 1.438 -4.902 1.00 0.00 H new ATOM 665 N MET A 42 -2.298 -1.332 -4.998 1.00 0.00 N ATOM 666 CA MET A 42 -2.961 -2.512 -5.623 1.00 0.00 C ATOM 667 C MET A 42 -3.667 -2.094 -6.914 1.00 0.00 C ATOM 668 O MET A 42 -3.703 -2.832 -7.879 1.00 0.00 O ATOM 669 CB MET A 42 -3.986 -3.097 -4.642 1.00 0.00 C ATOM 670 CG MET A 42 -5.106 -2.077 -4.367 1.00 0.00 C ATOM 671 SD MET A 42 -6.365 -2.185 -5.664 1.00 0.00 S ATOM 672 CE MET A 42 -7.680 -1.308 -4.784 1.00 0.00 C ATOM 0 H MET A 42 -2.731 -0.994 -4.138 1.00 0.00 H new ATOM 0 HA MET A 42 -2.208 -3.264 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.412 -4.012 -5.053 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.493 -3.366 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.556 -2.271 -3.393 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.692 -1.069 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.650 -1.686 -5.108 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.569 -1.467 -3.711 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.615 -0.242 -5.001 1.00 0.00 H new ATOM 682 N MET A 43 -4.231 -0.916 -6.944 1.00 0.00 N ATOM 683 CA MET A 43 -4.936 -0.456 -8.175 1.00 0.00 C ATOM 684 C MET A 43 -3.992 -0.596 -9.366 1.00 0.00 C ATOM 685 O MET A 43 -4.413 -0.804 -10.488 1.00 0.00 O ATOM 686 CB MET A 43 -5.346 1.010 -8.013 1.00 0.00 C ATOM 687 CG MET A 43 -6.004 1.509 -9.303 1.00 0.00 C ATOM 688 SD MET A 43 -6.794 3.107 -8.997 1.00 0.00 S ATOM 689 CE MET A 43 -6.879 3.654 -10.719 1.00 0.00 C ATOM 0 H MET A 43 -4.234 -0.253 -6.169 1.00 0.00 H new ATOM 0 HA MET A 43 -5.828 -1.060 -8.339 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.038 1.114 -7.177 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.472 1.618 -7.781 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.257 1.605 -10.091 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.743 0.787 -9.650 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.342 4.640 -10.765 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.873 3.706 -11.134 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.473 2.946 -11.297 1.00 0.00 H new ATOM 699 N LYS A 44 -2.713 -0.484 -9.115 1.00 0.00 N ATOM 700 CA LYS A 44 -1.688 -0.604 -10.201 1.00 0.00 C ATOM 701 C LYS A 44 -0.715 -1.737 -9.842 1.00 0.00 C ATOM 702 O LYS A 44 0.487 -1.589 -9.930 1.00 0.00 O ATOM 703 CB LYS A 44 -0.929 0.731 -10.298 1.00 0.00 C ATOM 704 CG LYS A 44 -1.759 1.774 -11.084 1.00 0.00 C ATOM 705 CD LYS A 44 -1.541 1.615 -12.598 1.00 0.00 C ATOM 706 CE LYS A 44 -2.245 2.757 -13.333 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.663 4.059 -12.903 1.00 0.00 N ATOM 0 H LYS A 44 -2.327 -0.311 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.161 -0.828 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.715 1.107 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.030 0.575 -10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.817 1.655 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.475 2.780 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.475 1.623 -12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.932 0.655 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.132 2.634 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.314 2.736 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.775 4.758 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.155 4.395 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.652 3.935 -12.693 1.00 0.00 H new ATOM 721 N ALA A 45 -1.231 -2.866 -9.434 1.00 0.00 N ATOM 722 CA ALA A 45 -0.344 -4.004 -9.066 1.00 0.00 C ATOM 723 C ALA A 45 0.391 -4.514 -10.308 1.00 0.00 C ATOM 724 O ALA A 45 -0.192 -4.691 -11.360 1.00 0.00 O ATOM 725 CB ALA A 45 -1.187 -5.135 -8.474 1.00 0.00 C ATOM 0 H ALA A 45 -2.230 -3.048 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 45 0.386 -3.666 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.539 -5.969 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.705 -4.776 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.918 -5.468 -9.211 1.00 0.00 H new ATOM 731 N GLY A 46 1.673 -4.747 -10.192 1.00 0.00 N ATOM 732 CA GLY A 46 2.465 -5.243 -11.361 1.00 0.00 C ATOM 733 C GLY A 46 2.993 -4.047 -12.155 1.00 0.00 C ATOM 734 O GLY A 46 3.802 -4.193 -13.050 1.00 0.00 O ATOM 0 H GLY A 46 2.209 -4.615 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.294 -5.861 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.842 -5.871 -11.998 1.00 0.00 H new ATOM 738 N SER A 47 2.541 -2.864 -11.818 1.00 0.00 N ATOM 739 CA SER A 47 2.997 -1.620 -12.522 1.00 0.00 C ATOM 740 C SER A 47 3.692 -0.712 -11.489 1.00 0.00 C ATOM 741 O SER A 47 3.050 -0.249 -10.567 1.00 0.00 O ATOM 742 CB SER A 47 1.772 -0.890 -13.077 1.00 0.00 C ATOM 743 OG SER A 47 2.112 0.464 -13.342 1.00 0.00 O ATOM 0 H SER A 47 1.864 -2.703 -11.072 1.00 0.00 H new ATOM 0 HA SER A 47 3.680 -1.868 -13.334 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.428 -1.376 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.951 -0.937 -12.362 1.00 0.00 H new ATOM 0 HG SER A 47 1.387 0.891 -13.844 1.00 0.00 H new ATOM 749 N PRO A 48 4.981 -0.446 -11.605 1.00 0.00 N ATOM 750 CA PRO A 48 5.680 0.425 -10.613 1.00 0.00 C ATOM 751 C PRO A 48 4.901 1.715 -10.332 1.00 0.00 C ATOM 752 O PRO A 48 4.642 2.501 -11.222 1.00 0.00 O ATOM 753 CB PRO A 48 7.025 0.736 -11.294 1.00 0.00 C ATOM 754 CG PRO A 48 7.288 -0.449 -12.170 1.00 0.00 C ATOM 755 CD PRO A 48 5.910 -0.932 -12.649 1.00 0.00 C ATOM 0 HA PRO A 48 5.788 -0.059 -9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.971 1.656 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.819 0.870 -10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.922 -0.178 -13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.808 -1.234 -11.620 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.661 -0.522 -13.628 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.876 -2.018 -12.740 1.00 0.00 H new ATOM 763 N VAL A 49 4.515 1.930 -9.095 1.00 0.00 N ATOM 764 CA VAL A 49 3.740 3.156 -8.735 1.00 0.00 C ATOM 765 C VAL A 49 4.673 4.213 -8.143 1.00 0.00 C ATOM 766 O VAL A 49 5.518 3.919 -7.320 1.00 0.00 O ATOM 767 CB VAL A 49 2.680 2.787 -7.695 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.919 4.045 -7.256 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.701 1.786 -8.310 1.00 0.00 C ATOM 0 H VAL A 49 4.707 1.301 -8.315 1.00 0.00 H new ATOM 0 HA VAL A 49 3.267 3.558 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 49 3.165 2.343 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.166 3.775 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.617 4.759 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.432 4.496 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.943 1.519 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.220 2.234 -9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.241 0.890 -8.616 1.00 0.00 H new ATOM 779 N HIS A 50 4.515 5.446 -8.540 1.00 0.00 N ATOM 780 CA HIS A 50 5.381 6.519 -7.985 1.00 0.00 C ATOM 781 C HIS A 50 4.987 6.771 -6.527 1.00 0.00 C ATOM 782 O HIS A 50 3.845 7.050 -6.219 1.00 0.00 O ATOM 783 CB HIS A 50 5.195 7.803 -8.800 1.00 0.00 C ATOM 784 CG HIS A 50 6.247 8.813 -8.419 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.282 10.083 -8.980 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.307 8.764 -7.542 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.327 10.738 -8.441 1.00 0.00 C ATOM 788 NE2 HIS A 50 7.982 9.979 -7.561 1.00 0.00 N ATOM 0 H HIS A 50 3.824 5.754 -9.224 1.00 0.00 H new ATOM 0 HA HIS A 50 6.426 6.214 -8.036 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.262 7.580 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.202 8.216 -8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.573 7.913 -6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.601 11.752 -8.690 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.805 10.236 -7.016 1.00 0.00 H new ATOM 797 N ARG A 51 5.926 6.671 -5.631 1.00 0.00 N ATOM 798 CA ARG A 51 5.632 6.897 -4.187 1.00 0.00 C ATOM 799 C ARG A 51 4.903 8.232 -4.022 1.00 0.00 C ATOM 800 O ARG A 51 4.287 8.501 -3.010 1.00 0.00 O ATOM 801 CB ARG A 51 6.953 6.932 -3.410 1.00 0.00 C ATOM 802 CG ARG A 51 6.678 6.863 -1.906 1.00 0.00 C ATOM 803 CD ARG A 51 7.996 7.014 -1.142 1.00 0.00 C ATOM 804 NE ARG A 51 8.662 8.285 -1.548 1.00 0.00 N ATOM 805 CZ ARG A 51 9.935 8.462 -1.318 1.00 0.00 C ATOM 806 NH1 ARG A 51 10.628 7.526 -0.732 1.00 0.00 N ATOM 807 NH2 ARG A 51 10.514 9.576 -1.675 1.00 0.00 N ATOM 0 H ARG A 51 6.897 6.439 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 51 5.003 6.093 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.584 6.096 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.499 7.845 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.984 7.651 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.206 5.913 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.808 7.016 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.649 6.166 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 51 8.121 9.018 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.176 6.655 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.622 7.664 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.972 10.308 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.508 9.714 -1.495 1.00 0.00 H new ATOM 821 N GLU A 52 4.975 9.070 -5.014 1.00 0.00 N ATOM 822 CA GLU A 52 4.300 10.392 -4.925 1.00 0.00 C ATOM 823 C GLU A 52 2.776 10.204 -4.927 1.00 0.00 C ATOM 824 O GLU A 52 2.075 10.770 -4.114 1.00 0.00 O ATOM 825 CB GLU A 52 4.727 11.253 -6.126 1.00 0.00 C ATOM 826 CG GLU A 52 4.461 12.734 -5.833 1.00 0.00 C ATOM 827 CD GLU A 52 4.589 13.548 -7.122 1.00 0.00 C ATOM 828 OE1 GLU A 52 3.676 13.490 -7.929 1.00 0.00 O ATOM 829 OE2 GLU A 52 5.598 14.216 -7.281 1.00 0.00 O ATOM 0 H GLU A 52 5.474 8.896 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 52 4.587 10.889 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.786 11.100 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.179 10.946 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.463 12.857 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.169 13.100 -5.089 1.00 0.00 H new ATOM 836 N ILE A 53 2.260 9.415 -5.832 1.00 0.00 N ATOM 837 CA ILE A 53 0.781 9.201 -5.887 1.00 0.00 C ATOM 838 C ILE A 53 0.275 8.662 -4.547 1.00 0.00 C ATOM 839 O ILE A 53 -0.851 8.901 -4.159 1.00 0.00 O ATOM 840 CB ILE A 53 0.453 8.197 -6.996 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.980 8.724 -8.336 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.064 8.009 -7.082 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.906 7.615 -9.389 1.00 0.00 C ATOM 0 H ILE A 53 2.797 8.909 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 53 0.292 10.153 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 53 0.925 7.241 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.392 9.584 -8.657 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.009 9.066 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.298 7.295 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.439 7.633 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.537 8.965 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.281 7.991 -10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.513 6.768 -9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.129 7.295 -9.508 1.00 0.00 H new ATOM 855 N LEU A 54 1.093 7.940 -3.837 1.00 0.00 N ATOM 856 CA LEU A 54 0.652 7.392 -2.523 1.00 0.00 C ATOM 857 C LEU A 54 0.481 8.550 -1.537 1.00 0.00 C ATOM 858 O LEU A 54 -0.511 8.659 -0.844 1.00 0.00 O ATOM 859 CB LEU A 54 1.708 6.407 -2.000 1.00 0.00 C ATOM 860 CG LEU A 54 2.192 5.500 -3.139 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.225 4.505 -2.596 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.999 4.736 -3.735 1.00 0.00 C ATOM 0 H LEU A 54 2.048 7.705 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.296 6.867 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.550 6.955 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.287 5.802 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 54 2.651 6.109 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.569 3.860 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.073 5.051 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.768 3.896 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.346 4.093 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.534 4.126 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.270 5.446 -4.124 1.00 0.00 H new ATOM 874 N TYR A 55 1.444 9.422 -1.492 1.00 0.00 N ATOM 875 CA TYR A 55 1.341 10.589 -0.570 1.00 0.00 C ATOM 876 C TYR A 55 0.107 11.401 -0.974 1.00 0.00 C ATOM 877 O TYR A 55 -0.576 11.973 -0.148 1.00 0.00 O ATOM 878 CB TYR A 55 2.609 11.461 -0.678 1.00 0.00 C ATOM 879 CG TYR A 55 3.716 10.893 0.200 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.545 10.842 1.591 1.00 0.00 C ATOM 881 CD2 TYR A 55 4.911 10.428 -0.373 1.00 0.00 C ATOM 882 CE1 TYR A 55 4.561 10.327 2.404 1.00 0.00 C ATOM 883 CE2 TYR A 55 5.926 9.913 0.444 1.00 0.00 C ATOM 884 CZ TYR A 55 5.750 9.863 1.831 1.00 0.00 C ATOM 885 OH TYR A 55 6.751 9.358 2.634 1.00 0.00 O ATOM 0 H TYR A 55 2.297 9.381 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 55 1.249 10.250 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.943 11.503 -1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.383 12.483 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.628 11.201 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.048 10.467 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.427 10.288 3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.844 9.555 0.003 1.00 0.00 H new ATOM 0 HH TYR A 55 6.378 9.114 3.507 1.00 0.00 H new ATOM 895 N ASN A 56 -0.180 11.448 -2.242 1.00 0.00 N ATOM 896 CA ASN A 56 -1.360 12.211 -2.724 1.00 0.00 C ATOM 897 C ASN A 56 -2.653 11.506 -2.301 1.00 0.00 C ATOM 898 O ASN A 56 -3.706 12.108 -2.249 1.00 0.00 O ATOM 899 CB ASN A 56 -1.315 12.310 -4.252 1.00 0.00 C ATOM 900 CG ASN A 56 -0.127 13.175 -4.680 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.158 14.381 -4.544 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.928 12.604 -5.199 1.00 0.00 N ATOM 0 H ASN A 56 0.359 10.985 -2.973 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.338 13.210 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.228 11.315 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.244 12.741 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.724 13.172 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.955 11.591 -5.314 1.00 0.00 H new ATOM 909 N ASP A 57 -2.591 10.231 -2.015 1.00 0.00 N ATOM 910 CA ASP A 57 -3.831 9.515 -1.621 1.00 0.00 C ATOM 911 C ASP A 57 -4.488 10.244 -0.443 1.00 0.00 C ATOM 912 O ASP A 57 -5.658 10.569 -0.479 1.00 0.00 O ATOM 913 CB ASP A 57 -3.499 8.065 -1.237 1.00 0.00 C ATOM 914 CG ASP A 57 -4.761 7.203 -1.353 1.00 0.00 C ATOM 915 OD1 ASP A 57 -5.813 7.671 -0.950 1.00 0.00 O ATOM 916 OD2 ASP A 57 -4.654 6.098 -1.854 1.00 0.00 O ATOM 0 H ASP A 57 -1.744 9.664 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.525 9.500 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.718 7.675 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.112 8.027 -0.219 1.00 0.00 H new ATOM 1089 N THR A 69 10.284 12.952 7.743 1.00 0.00 N ATOM 1090 CA THR A 69 9.092 12.509 8.523 1.00 0.00 C ATOM 1091 C THR A 69 8.141 11.744 7.600 1.00 0.00 C ATOM 1092 O THR A 69 7.625 10.700 7.949 1.00 0.00 O ATOM 1093 CB THR A 69 8.376 13.735 9.100 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.326 14.585 9.726 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.336 13.286 10.129 1.00 0.00 C ATOM 0 HA THR A 69 9.407 11.859 9.339 1.00 0.00 H new ATOM 0 HB THR A 69 7.877 14.275 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.217 14.405 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.828 14.159 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.607 12.634 9.648 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.832 12.744 10.935 1.00 0.00 H new ATOM 1103 N LEU A 70 7.912 12.255 6.424 1.00 0.00 N ATOM 1104 CA LEU A 70 7.005 11.569 5.469 1.00 0.00 C ATOM 1105 C LEU A 70 7.644 10.244 5.055 1.00 0.00 C ATOM 1106 O LEU A 70 7.021 9.203 5.101 1.00 0.00 O ATOM 1107 CB LEU A 70 6.815 12.469 4.235 1.00 0.00 C ATOM 1108 CG LEU A 70 5.876 13.667 4.533 1.00 0.00 C ATOM 1109 CD1 LEU A 70 4.405 13.230 4.519 1.00 0.00 C ATOM 1110 CD2 LEU A 70 6.198 14.301 5.896 1.00 0.00 C ATOM 0 H LEU A 70 8.319 13.126 6.082 1.00 0.00 H new ATOM 0 HA LEU A 70 6.036 11.377 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.785 12.841 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.403 11.880 3.416 1.00 0.00 H new ATOM 0 HG LEU A 70 6.041 14.405 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.768 14.089 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.155 12.826 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.246 12.464 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.523 15.138 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.072 13.557 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.228 14.658 5.897 1.00 0.00 H new ATOM 1122 N GLU A 71 8.888 10.273 4.667 1.00 0.00 N ATOM 1123 CA GLU A 71 9.568 9.011 4.267 1.00 0.00 C ATOM 1124 C GLU A 71 9.650 8.090 5.482 1.00 0.00 C ATOM 1125 O GLU A 71 9.731 6.884 5.358 1.00 0.00 O ATOM 1126 CB GLU A 71 10.980 9.323 3.763 1.00 0.00 C ATOM 1127 CG GLU A 71 10.914 10.422 2.700 1.00 0.00 C ATOM 1128 CD GLU A 71 10.062 9.945 1.524 1.00 0.00 C ATOM 1129 OE1 GLU A 71 9.989 8.744 1.321 1.00 0.00 O ATOM 1130 OE2 GLU A 71 9.495 10.786 0.848 1.00 0.00 O ATOM 0 H GLU A 71 9.462 11.114 4.610 1.00 0.00 H new ATOM 0 HA GLU A 71 9.006 8.525 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.611 9.643 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.434 8.425 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.488 11.330 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.918 10.672 2.357 1.00 0.00 H new ATOM 1137 N VAL A 72 9.627 8.653 6.660 1.00 0.00 N ATOM 1138 CA VAL A 72 9.698 7.816 7.888 1.00 0.00 C ATOM 1139 C VAL A 72 8.357 7.129 8.111 1.00 0.00 C ATOM 1140 O VAL A 72 8.296 5.965 8.454 1.00 0.00 O ATOM 1141 CB VAL A 72 10.023 8.699 9.089 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.306 7.820 10.309 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.256 9.551 8.777 1.00 0.00 C ATOM 0 H VAL A 72 9.562 9.658 6.823 1.00 0.00 H new ATOM 0 HA VAL A 72 10.478 7.063 7.770 1.00 0.00 H new ATOM 0 HB VAL A 72 9.175 9.350 9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.538 8.452 11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.428 7.214 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.154 7.168 10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.489 10.182 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.104 8.900 8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.054 10.179 7.909 1.00 0.00 H new ATOM 1153 N HIS A 73 7.274 7.828 7.897 1.00 0.00 N ATOM 1154 CA HIS A 73 5.940 7.187 8.075 1.00 0.00 C ATOM 1155 C HIS A 73 5.920 5.928 7.212 1.00 0.00 C ATOM 1156 O HIS A 73 5.420 4.892 7.601 1.00 0.00 O ATOM 1157 CB HIS A 73 4.834 8.146 7.619 1.00 0.00 C ATOM 1158 CG HIS A 73 4.662 9.246 8.632 1.00 0.00 C ATOM 1159 ND1 HIS A 73 4.542 10.578 8.265 1.00 0.00 N ATOM 1160 CD2 HIS A 73 4.581 9.226 10.004 1.00 0.00 C ATOM 1161 CE1 HIS A 73 4.397 11.299 9.393 1.00 0.00 C ATOM 1162 NE2 HIS A 73 4.414 10.522 10.476 1.00 0.00 N ATOM 0 H HIS A 73 7.255 8.806 7.609 1.00 0.00 H new ATOM 0 HA HIS A 73 5.769 6.941 9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.086 8.570 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.897 7.603 7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.638 8.340 10.620 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.281 12.373 9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.323 10.817 11.448 1.00 0.00 H new ATOM 1171 N ILE A 74 6.491 6.020 6.045 1.00 0.00 N ATOM 1172 CA ILE A 74 6.540 4.835 5.149 1.00 0.00 C ATOM 1173 C ILE A 74 7.405 3.772 5.815 1.00 0.00 C ATOM 1174 O ILE A 74 7.102 2.596 5.781 1.00 0.00 O ATOM 1175 CB ILE A 74 7.156 5.218 3.799 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.397 6.405 3.183 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.095 4.019 2.848 1.00 0.00 C ATOM 1178 CD1 ILE A 74 4.888 6.123 3.117 1.00 0.00 C ATOM 0 H ILE A 74 6.926 6.865 5.674 1.00 0.00 H new ATOM 0 HA ILE A 74 5.531 4.459 4.978 1.00 0.00 H new ATOM 0 HB ILE A 74 8.195 5.508 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.577 7.302 3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.777 6.603 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.533 4.293 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.652 3.186 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.056 3.724 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.377 6.979 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.709 5.240 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.506 5.950 4.123 1.00 0.00 H new ATOM 1190 N HIS A 75 8.484 4.179 6.426 1.00 0.00 N ATOM 1191 CA HIS A 75 9.368 3.189 7.098 1.00 0.00 C ATOM 1192 C HIS A 75 8.630 2.588 8.293 1.00 0.00 C ATOM 1193 O HIS A 75 8.704 1.400 8.549 1.00 0.00 O ATOM 1194 CB HIS A 75 10.644 3.885 7.577 1.00 0.00 C ATOM 1195 CG HIS A 75 11.532 2.885 8.265 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.276 1.522 8.231 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.679 3.034 9.006 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.248 0.910 8.934 1.00 0.00 C ATOM 1199 NE2 HIS A 75 13.125 1.786 9.425 1.00 0.00 N ATOM 0 H HIS A 75 8.790 5.150 6.488 1.00 0.00 H new ATOM 0 HA HIS A 75 9.633 2.397 6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.167 4.331 6.731 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.394 4.696 8.261 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.494 1.067 7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.160 3.975 9.229 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.309 -0.158 9.082 1.00 0.00 H new ATOM 1208 N ASN A 76 7.914 3.395 9.026 1.00 0.00 N ATOM 1209 CA ASN A 76 7.171 2.864 10.202 1.00 0.00 C ATOM 1210 C ASN A 76 6.097 1.890 9.723 1.00 0.00 C ATOM 1211 O ASN A 76 5.917 0.824 10.279 1.00 0.00 O ATOM 1212 CB ASN A 76 6.514 4.021 10.956 1.00 0.00 C ATOM 1213 CG ASN A 76 7.592 4.861 11.645 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.659 5.065 11.101 1.00 0.00 O ATOM 1215 ND2 ASN A 76 7.357 5.359 12.828 1.00 0.00 N ATOM 0 H ASN A 76 7.812 4.396 8.862 1.00 0.00 H new ATOM 0 HA ASN A 76 7.862 2.346 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.942 4.640 10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.812 3.635 11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.069 5.920 13.296 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.461 5.188 13.285 1.00 0.00 H new ATOM 1222 N LEU A 77 5.380 2.247 8.696 1.00 0.00 N ATOM 1223 CA LEU A 77 4.314 1.341 8.184 1.00 0.00 C ATOM 1224 C LEU A 77 4.955 0.121 7.527 1.00 0.00 C ATOM 1225 O LEU A 77 4.430 -0.972 7.590 1.00 0.00 O ATOM 1226 CB LEU A 77 3.459 2.079 7.147 1.00 0.00 C ATOM 1227 CG LEU A 77 2.729 3.267 7.800 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.151 4.164 6.700 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.585 2.772 8.713 1.00 0.00 C ATOM 0 H LEU A 77 5.485 3.126 8.189 1.00 0.00 H new ATOM 0 HA LEU A 77 3.684 1.025 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.090 2.435 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.733 1.393 6.711 1.00 0.00 H new ATOM 0 HG LEU A 77 3.440 3.826 8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.632 5.008 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.960 4.532 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.450 3.590 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.083 3.628 9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.869 2.201 8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.995 2.137 9.498 1.00 0.00 H new ATOM 1241 N ARG A 78 6.088 0.294 6.898 1.00 0.00 N ATOM 1242 CA ARG A 78 6.761 -0.859 6.232 1.00 0.00 C ATOM 1243 C ARG A 78 6.845 -2.040 7.202 1.00 0.00 C ATOM 1244 O ARG A 78 6.493 -3.154 6.872 1.00 0.00 O ATOM 1245 CB ARG A 78 8.173 -0.442 5.811 1.00 0.00 C ATOM 1246 CG ARG A 78 8.776 -1.510 4.895 1.00 0.00 C ATOM 1247 CD ARG A 78 10.137 -1.033 4.385 1.00 0.00 C ATOM 1248 NE ARG A 78 11.099 -0.971 5.524 1.00 0.00 N ATOM 1249 CZ ARG A 78 12.372 -0.794 5.295 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.806 -0.674 4.070 1.00 0.00 N ATOM 1251 NH2 ARG A 78 13.211 -0.737 6.294 1.00 0.00 N ATOM 0 H ARG A 78 6.577 1.186 6.817 1.00 0.00 H new ATOM 0 HA ARG A 78 6.188 -1.157 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.140 0.517 5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.801 -0.308 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.887 -2.449 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.108 -1.704 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.508 -1.712 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.040 -0.051 3.922 1.00 0.00 H new ATOM 0 HE ARG A 78 10.762 -1.067 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.150 -0.718 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.801 -0.536 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.871 -0.831 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.206 -0.599 6.117 1.00 0.00 H new ATOM 1265 N GLU A 79 7.309 -1.802 8.394 1.00 0.00 N ATOM 1266 CA GLU A 79 7.417 -2.910 9.383 1.00 0.00 C ATOM 1267 C GLU A 79 6.041 -3.543 9.605 1.00 0.00 C ATOM 1268 O GLU A 79 5.929 -4.708 9.932 1.00 0.00 O ATOM 1269 CB GLU A 79 7.941 -2.358 10.709 1.00 0.00 C ATOM 1270 CG GLU A 79 9.334 -1.761 10.500 1.00 0.00 C ATOM 1271 CD GLU A 79 9.801 -1.089 11.792 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.240 -1.393 12.831 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.712 -0.281 11.720 1.00 0.00 O ATOM 0 H GLU A 79 7.618 -0.889 8.728 1.00 0.00 H new ATOM 0 HA GLU A 79 8.104 -3.666 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.261 -1.597 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.982 -3.152 11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.036 -2.543 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.312 -1.035 9.687 1.00 0.00 H new ATOM 1280 N LYS A 80 4.991 -2.782 9.446 1.00 0.00 N ATOM 1281 CA LYS A 80 3.626 -3.335 9.667 1.00 0.00 C ATOM 1282 C LYS A 80 3.224 -4.250 8.504 1.00 0.00 C ATOM 1283 O LYS A 80 2.663 -5.308 8.707 1.00 0.00 O ATOM 1284 CB LYS A 80 2.620 -2.184 9.774 1.00 0.00 C ATOM 1285 CG LYS A 80 3.112 -1.137 10.786 1.00 0.00 C ATOM 1286 CD LYS A 80 3.186 -1.751 12.196 1.00 0.00 C ATOM 1287 CE LYS A 80 3.237 -0.636 13.247 1.00 0.00 C ATOM 1288 NZ LYS A 80 4.468 0.181 13.046 1.00 0.00 N ATOM 0 H LYS A 80 5.021 -1.800 9.172 1.00 0.00 H new ATOM 0 HA LYS A 80 3.628 -3.915 10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.483 -1.720 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.648 -2.569 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.094 -0.769 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.438 -0.280 10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.319 -2.388 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.069 -2.384 12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.352 -0.005 13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.232 -1.065 14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.611 0.802 13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.289 -0.449 12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.364 0.761 12.189 1.00 0.00 H new ATOM 1302 N ILE A 81 3.491 -3.853 7.286 1.00 0.00 N ATOM 1303 CA ILE A 81 3.105 -4.701 6.119 1.00 0.00 C ATOM 1304 C ILE A 81 4.156 -5.783 5.884 1.00 0.00 C ATOM 1305 O ILE A 81 3.843 -6.886 5.482 1.00 0.00 O ATOM 1306 CB ILE A 81 2.998 -3.832 4.851 1.00 0.00 C ATOM 1307 CG1 ILE A 81 4.158 -2.833 4.793 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.676 -3.058 4.860 1.00 0.00 C ATOM 1309 CD1 ILE A 81 4.178 -2.158 3.418 1.00 0.00 C ATOM 0 H ILE A 81 3.960 -2.978 7.050 1.00 0.00 H new ATOM 0 HA ILE A 81 2.142 -5.165 6.333 1.00 0.00 H new ATOM 0 HB ILE A 81 3.038 -4.486 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.047 -2.084 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.103 -3.345 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.607 -2.446 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.843 -3.761 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.636 -2.416 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.003 -1.446 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.309 -2.914 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.237 -1.633 3.257 1.00 0.00 H new ATOM 1321 N GLY A 82 5.402 -5.464 6.083 1.00 0.00 N ATOM 1322 CA GLY A 82 6.479 -6.457 5.819 1.00 0.00 C ATOM 1323 C GLY A 82 6.958 -6.232 4.387 1.00 0.00 C ATOM 1324 O GLY A 82 6.291 -6.585 3.435 1.00 0.00 O ATOM 0 H GLY A 82 5.723 -4.556 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.301 -6.330 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.105 -7.473 5.945 1.00 0.00 H new ATOM 1328 N LYS A 83 8.093 -5.609 4.237 1.00 0.00 N ATOM 1329 CA LYS A 83 8.633 -5.304 2.876 1.00 0.00 C ATOM 1330 C LYS A 83 8.460 -6.505 1.943 1.00 0.00 C ATOM 1331 O LYS A 83 8.494 -6.370 0.740 1.00 0.00 O ATOM 1332 CB LYS A 83 10.122 -4.964 2.988 1.00 0.00 C ATOM 1333 CG LYS A 83 10.870 -6.136 3.642 1.00 0.00 C ATOM 1334 CD LYS A 83 12.343 -5.749 3.922 1.00 0.00 C ATOM 1335 CE LYS A 83 12.472 -5.065 5.291 1.00 0.00 C ATOM 1336 NZ LYS A 83 12.315 -6.081 6.369 1.00 0.00 N ATOM 0 H LYS A 83 8.680 -5.292 5.009 1.00 0.00 H new ATOM 0 HA LYS A 83 8.083 -4.458 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.535 -4.762 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.255 -4.059 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.378 -6.415 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.834 -7.008 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.970 -6.640 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.704 -5.081 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.443 -4.576 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.714 -4.289 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.740 -5.723 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.304 -6.268 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.791 -6.962 6.088 1.00 0.00 H new ATOM 1350 N SER A 84 8.263 -7.673 2.480 1.00 0.00 N ATOM 1351 CA SER A 84 8.074 -8.860 1.602 1.00 0.00 C ATOM 1352 C SER A 84 6.788 -8.677 0.790 1.00 0.00 C ATOM 1353 O SER A 84 6.788 -8.743 -0.423 1.00 0.00 O ATOM 1354 CB SER A 84 7.961 -10.120 2.461 1.00 0.00 C ATOM 1355 OG SER A 84 6.948 -9.933 3.439 1.00 0.00 O ATOM 0 H SER A 84 8.225 -7.858 3.482 1.00 0.00 H new ATOM 0 HA SER A 84 8.926 -8.961 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.724 -10.980 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.915 -10.331 2.945 1.00 0.00 H new ATOM 0 HG SER A 84 6.872 -10.740 3.990 1.00 0.00 H new ATOM 1361 N ARG A 85 5.687 -8.454 1.458 1.00 0.00 N ATOM 1362 CA ARG A 85 4.386 -8.273 0.759 1.00 0.00 C ATOM 1363 C ARG A 85 4.525 -7.281 -0.401 1.00 0.00 C ATOM 1364 O ARG A 85 3.645 -7.174 -1.233 1.00 0.00 O ATOM 1365 CB ARG A 85 3.376 -7.731 1.775 1.00 0.00 C ATOM 1366 CG ARG A 85 1.956 -7.828 1.218 1.00 0.00 C ATOM 1367 CD ARG A 85 0.966 -7.332 2.274 1.00 0.00 C ATOM 1368 NE ARG A 85 -0.423 -7.675 1.854 1.00 0.00 N ATOM 1369 CZ ARG A 85 -1.068 -6.909 1.013 1.00 0.00 C ATOM 1370 NH1 ARG A 85 -0.492 -5.845 0.524 1.00 0.00 N ATOM 1371 NH2 ARG A 85 -2.288 -7.209 0.660 1.00 0.00 N ATOM 0 H ARG A 85 5.636 -8.389 2.475 1.00 0.00 H new ATOM 0 HA ARG A 85 4.054 -9.228 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.448 -8.295 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.610 -6.693 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.867 -7.231 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.729 -8.859 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.188 -7.788 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.063 -6.254 2.401 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.873 -8.512 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.462 -5.610 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.996 -5.248 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.739 -8.041 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.791 -6.611 0.004 1.00 0.00 H new ATOM 1385 N ILE A 86 5.605 -6.537 -0.457 1.00 0.00 N ATOM 1386 CA ILE A 86 5.783 -5.531 -1.551 1.00 0.00 C ATOM 1387 C ILE A 86 7.207 -5.595 -2.123 1.00 0.00 C ATOM 1388 O ILE A 86 8.087 -6.226 -1.578 1.00 0.00 O ATOM 1389 CB ILE A 86 5.543 -4.145 -0.955 1.00 0.00 C ATOM 1390 CG1 ILE A 86 6.313 -4.016 0.366 1.00 0.00 C ATOM 1391 CG2 ILE A 86 4.047 -3.943 -0.693 1.00 0.00 C ATOM 1392 CD1 ILE A 86 6.330 -2.552 0.816 1.00 0.00 C ATOM 0 H ILE A 86 6.374 -6.584 0.212 1.00 0.00 H new ATOM 0 HA ILE A 86 5.081 -5.740 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 86 5.891 -3.388 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.846 -4.636 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.333 -4.379 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.882 -2.953 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.498 -4.031 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.694 -4.701 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.878 -2.466 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.817 -1.943 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.307 -2.204 0.960 1.00 0.00 H new ATOM 1404 N ARG A 87 7.422 -4.933 -3.235 1.00 0.00 N ATOM 1405 CA ARG A 87 8.774 -4.918 -3.886 1.00 0.00 C ATOM 1406 C ARG A 87 9.083 -3.495 -4.361 1.00 0.00 C ATOM 1407 O ARG A 87 8.346 -2.917 -5.134 1.00 0.00 O ATOM 1408 CB ARG A 87 8.770 -5.865 -5.089 1.00 0.00 C ATOM 1409 CG ARG A 87 10.186 -5.974 -5.658 1.00 0.00 C ATOM 1410 CD ARG A 87 10.215 -7.038 -6.757 1.00 0.00 C ATOM 1411 NE ARG A 87 11.553 -7.038 -7.414 1.00 0.00 N ATOM 1412 CZ ARG A 87 11.882 -6.070 -8.226 1.00 0.00 C ATOM 1413 NH1 ARG A 87 11.042 -5.098 -8.459 1.00 0.00 N ATOM 1414 NH2 ARG A 87 13.053 -6.072 -8.802 1.00 0.00 N ATOM 0 H ARG A 87 6.709 -4.395 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 87 9.531 -5.242 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.410 -6.849 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.087 -5.496 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.502 -5.012 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.888 -6.235 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.006 -8.020 -6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.437 -6.837 -7.493 1.00 0.00 H new ATOM 0 HE ARG A 87 12.212 -7.794 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.128 -5.094 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.300 -4.342 -9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.711 -6.830 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.311 -5.316 -9.436 1.00 0.00 H new ATOM 1428 N THR A 88 10.167 -2.920 -3.900 1.00 0.00 N ATOM 1429 CA THR A 88 10.524 -1.526 -4.318 1.00 0.00 C ATOM 1430 C THR A 88 11.405 -1.574 -5.571 1.00 0.00 C ATOM 1431 O THR A 88 12.318 -2.369 -5.667 1.00 0.00 O ATOM 1432 CB THR A 88 11.291 -0.832 -3.183 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.672 -1.155 -3.279 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.754 -1.301 -1.827 1.00 0.00 C ATOM 0 H THR A 88 10.822 -3.356 -3.251 1.00 0.00 H new ATOM 0 HA THR A 88 9.612 -0.970 -4.537 1.00 0.00 H new ATOM 0 HB THR A 88 11.158 0.246 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.163 -0.711 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.303 -0.804 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.695 -1.053 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.881 -2.380 -1.739 1.00 0.00 H new ATOM 1442 N VAL A 89 11.124 -0.732 -6.537 1.00 0.00 N ATOM 1443 CA VAL A 89 11.925 -0.719 -7.806 1.00 0.00 C ATOM 1444 C VAL A 89 12.919 0.447 -7.792 1.00 0.00 C ATOM 1445 O VAL A 89 12.543 1.599 -7.716 1.00 0.00 O ATOM 1446 CB VAL A 89 10.976 -0.554 -8.992 1.00 0.00 C ATOM 1447 CG1 VAL A 89 11.753 -0.731 -10.298 1.00 0.00 C ATOM 1448 CG2 VAL A 89 9.871 -1.609 -8.910 1.00 0.00 C ATOM 0 H VAL A 89 10.369 -0.048 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 89 12.476 -1.656 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 89 10.533 0.441 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.075 -0.613 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.541 0.020 -10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.197 -1.726 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.193 -1.492 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.315 -2.604 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.316 -1.483 -7.980 1.00 0.00 H new ATOM 1509 N GLY A 93 9.646 3.875 -6.863 1.00 0.00 N ATOM 1510 CA GLY A 93 8.179 3.591 -6.792 1.00 0.00 C ATOM 1511 C GLY A 93 7.948 2.326 -5.968 1.00 0.00 C ATOM 1512 O GLY A 93 8.723 1.988 -5.096 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.655 4.434 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.773 3.464 -7.795 1.00 0.00 H new ATOM 1516 N TYR A 94 6.885 1.622 -6.245 1.00 0.00 N ATOM 1517 CA TYR A 94 6.586 0.368 -5.492 1.00 0.00 C ATOM 1518 C TYR A 94 5.807 -0.571 -6.408 1.00 0.00 C ATOM 1519 O TYR A 94 5.255 -0.161 -7.408 1.00 0.00 O ATOM 1520 CB TYR A 94 5.747 0.706 -4.247 1.00 0.00 C ATOM 1521 CG TYR A 94 6.655 1.151 -3.122 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.069 2.483 -3.046 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.085 0.227 -2.161 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.913 2.894 -2.010 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.928 0.638 -1.124 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.342 1.972 -1.048 1.00 0.00 C ATOM 1527 OH TYR A 94 9.176 2.379 -0.026 1.00 0.00 O ATOM 0 H TYR A 94 6.205 1.863 -6.966 1.00 0.00 H new ATOM 0 HA TYR A 94 7.511 -0.112 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.032 1.494 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.171 -0.166 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.737 3.195 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.765 -0.803 -2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.234 3.923 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.259 -0.074 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 94 9.378 1.616 0.555 1.00 0.00 H new ATOM 1537 N MET A 95 5.760 -1.829 -6.077 1.00 0.00 N ATOM 1538 CA MET A 95 5.018 -2.790 -6.943 1.00 0.00 C ATOM 1539 C MET A 95 4.738 -4.080 -6.174 1.00 0.00 C ATOM 1540 O MET A 95 5.627 -4.695 -5.620 1.00 0.00 O ATOM 1541 CB MET A 95 5.859 -3.110 -8.178 1.00 0.00 C ATOM 1542 CG MET A 95 5.024 -3.924 -9.169 1.00 0.00 C ATOM 1543 SD MET A 95 5.983 -4.211 -10.680 1.00 0.00 S ATOM 1544 CE MET A 95 7.297 -5.222 -9.949 1.00 0.00 C ATOM 0 H MET A 95 6.199 -2.234 -5.250 1.00 0.00 H new ATOM 0 HA MET A 95 4.071 -2.342 -7.245 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.201 -2.187 -8.647 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.749 -3.670 -7.890 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.737 -4.876 -8.722 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.103 -3.392 -9.406 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.550 -6.036 -10.628 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.179 -4.604 -9.778 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.953 -5.635 -9.000 1.00 0.00 H new ATOM 1554 N LEU A 96 3.502 -4.497 -6.148 1.00 0.00 N ATOM 1555 CA LEU A 96 3.142 -5.754 -5.426 1.00 0.00 C ATOM 1556 C LEU A 96 3.438 -6.953 -6.336 1.00 0.00 C ATOM 1557 O LEU A 96 3.120 -6.950 -7.509 1.00 0.00 O ATOM 1558 CB LEU A 96 1.643 -5.716 -5.069 1.00 0.00 C ATOM 1559 CG LEU A 96 1.427 -4.918 -3.772 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.058 -3.529 -3.900 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.074 -4.771 -3.514 1.00 0.00 C ATOM 0 H LEU A 96 2.721 -4.020 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 96 3.726 -5.846 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.079 -5.261 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.265 -6.731 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 96 1.896 -5.448 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.900 -2.971 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.128 -3.631 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.596 -2.995 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.232 -4.206 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.537 -4.244 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.524 -5.759 -3.414 1.00 0.00 H new ATOM 1573 N ALA A 97 4.049 -7.977 -5.803 1.00 0.00 N ATOM 1574 CA ALA A 97 4.370 -9.172 -6.634 1.00 0.00 C ATOM 1575 C ALA A 97 3.087 -9.950 -6.936 1.00 0.00 C ATOM 1576 O ALA A 97 2.418 -10.434 -6.044 1.00 0.00 O ATOM 1577 CB ALA A 97 5.343 -10.075 -5.873 1.00 0.00 C ATOM 0 H ALA A 97 4.340 -8.037 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 97 4.826 -8.848 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.578 -10.949 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.259 -9.524 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.886 -10.396 -4.937 1.00 0.00 H new ATOM 1583 N ASN A 98 2.738 -10.074 -8.189 1.00 0.00 N ATOM 1584 CA ASN A 98 1.499 -10.823 -8.555 1.00 0.00 C ATOM 1585 C ASN A 98 1.799 -12.324 -8.577 1.00 0.00 C ATOM 1586 O ASN A 98 2.393 -12.832 -9.505 1.00 0.00 O ATOM 1587 CB ASN A 98 1.030 -10.380 -9.943 1.00 0.00 C ATOM 1588 CG ASN A 98 0.781 -8.871 -9.941 1.00 0.00 C ATOM 1589 OD1 ASN A 98 -0.284 -8.418 -10.315 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.725 -8.066 -9.533 1.00 0.00 N ATOM 0 H ASN A 98 3.258 -9.688 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 98 0.719 -10.617 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.782 -10.634 -10.690 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.117 -10.909 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.569 -7.058 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.618 -8.445 -9.219 1.00 0.00 H new