USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ 141:sc= 0.81 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= -2.27 K(o=-1.5,f=-11!) USER MOD Set 2.1: A 101 ASN : amide:sc= -0.209 X(o=-0.72,f=-0.56) USER MOD Set 2.2: A 119 HIS : no HE2:sc= -0.507 X(o=-0.72,f=-0.56) USER MOD Set 3.1: A 94 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 97 HIS : no HE2:sc= -5.95! C(o=-5.9!,f=-6.5!) USER MOD Set 4.1: A 73 THR OG1 : rot 180:sc= 0.0637 USER MOD Set 4.2: A 75 ASN : amide:sc= -0.0054 X(o=0.058,f=0.064) USER MOD Set 5.1: A 71 SER OG : rot 144:sc= -0.193 USER MOD Set 5.2: A 78 CYS SG : rot 60:sc= -1.85! USER MOD Set 6.1: A 53 SER OG : rot -153:sc= 0.00242 USER MOD Set 6.2: A 56 THR OG1 : rot 180:sc= 0.198! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 168:sc= -3 USER MOD Single : A 12 SER OG : rot -140:sc= -2.43 USER MOD Single : A 13 ASN : amide:sc= -0.973 K(o=-0.97,f=-2.6!) USER MOD Single : A 16 HIS : no HD1:sc= -8.11! C(o=-8.1!,f=-9.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -3:sc= 0.623 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0481 K(o=-0.048,f=-2.5!) USER MOD Single : A 36 HIS : no HD1:sc= -2.77! X(o=-2.8!,f=-2.9) USER MOD Single : A 38 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.048) USER MOD Single : A 40 GLN : amide:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.223 USER MOD Single : A 45 SER OG : rot 141:sc= -0.173 USER MOD Single : A 50 TYR OH : rot 15:sc= -0.277 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -93:sc= 0.502 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.08 F(o=-1.7!,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 169:sc= -4.04! (180deg=-4.13!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.168 K(o=-0.17,f=-2!) USER MOD Single : A 88 HIS : no HD1:sc=-0.00535 X(o=-0.0053,f=-0.13) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 90 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 158:sc= 0.358 (180deg=0.171) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -126:sc= -0.359 (180deg=-2.66!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.1!) USER MOD Single : A 111 SER OG : rot 180:sc=-0.000832 USER MOD Single : A 112 CYS SG : rot 29:sc= -1.28 USER MOD Single : A 118 THR OG1 : rot 46:sc= -0.197! USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.607 -7.775 1.335 1.00 0.00 N ATOM 98 CA PRO A 6 9.042 -6.572 0.749 1.00 0.00 C ATOM 99 C PRO A 6 8.167 -6.909 -0.460 1.00 0.00 C ATOM 100 O PRO A 6 8.246 -8.011 -1.000 1.00 0.00 O ATOM 101 CB PRO A 6 10.240 -5.708 0.392 1.00 0.00 C ATOM 102 CG PRO A 6 11.436 -6.646 0.362 1.00 0.00 C ATOM 103 CD PRO A 6 11.023 -7.948 1.027 1.00 0.00 C ATOM 0 HA PRO A 6 8.377 -6.045 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.099 -5.224 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.383 -4.916 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.754 -6.826 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.283 -6.202 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.183 -8.799 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.605 -8.133 1.930 1.00 0.00 H new ATOM 111 N LYS A 7 7.352 -5.939 -0.849 1.00 0.00 N ATOM 112 CA LYS A 7 6.463 -6.119 -1.984 1.00 0.00 C ATOM 113 C LYS A 7 6.517 -4.874 -2.872 1.00 0.00 C ATOM 114 O LYS A 7 6.967 -3.816 -2.436 1.00 0.00 O ATOM 115 CB LYS A 7 5.052 -6.474 -1.509 1.00 0.00 C ATOM 116 CG LYS A 7 4.905 -7.984 -1.309 1.00 0.00 C ATOM 117 CD LYS A 7 4.837 -8.335 0.179 1.00 0.00 C ATOM 118 CE LYS A 7 5.242 -9.791 0.418 1.00 0.00 C ATOM 119 NZ LYS A 7 4.610 -10.309 1.652 1.00 0.00 N ATOM 0 H LYS A 7 7.289 -5.026 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 7 6.791 -6.961 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.838 -5.957 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.321 -6.127 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.003 -8.335 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.748 -8.499 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.495 -7.674 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.825 -8.170 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.944 -10.402 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.326 -9.864 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.895 -11.298 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.915 -9.736 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.575 -10.257 1.560 1.00 0.00 H new ATOM 133 N LEU A 8 6.053 -5.043 -4.102 1.00 0.00 N ATOM 134 CA LEU A 8 6.044 -3.946 -5.054 1.00 0.00 C ATOM 135 C LEU A 8 4.600 -3.642 -5.461 1.00 0.00 C ATOM 136 O LEU A 8 3.782 -4.552 -5.583 1.00 0.00 O ATOM 137 CB LEU A 8 6.964 -4.255 -6.237 1.00 0.00 C ATOM 138 CG LEU A 8 8.275 -4.968 -5.898 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.591 -6.053 -6.929 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.421 -3.965 -5.751 1.00 0.00 C ATOM 0 H LEU A 8 5.681 -5.923 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 8 6.445 -3.041 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.413 -4.869 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.202 -3.318 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 8 8.156 -5.465 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.527 -6.544 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.786 -6.788 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.685 -5.601 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.341 -4.497 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.551 -3.421 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.189 -3.262 -4.951 1.00 0.00 H new ATOM 152 N LEU A 9 4.333 -2.360 -5.660 1.00 0.00 N ATOM 153 CA LEU A 9 3.003 -1.925 -6.051 1.00 0.00 C ATOM 154 C LEU A 9 2.919 -1.861 -7.577 1.00 0.00 C ATOM 155 O LEU A 9 3.758 -1.234 -8.223 1.00 0.00 O ATOM 156 CB LEU A 9 2.645 -0.608 -5.360 1.00 0.00 C ATOM 157 CG LEU A 9 1.669 -0.709 -4.186 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.122 -1.775 -3.187 1.00 0.00 C ATOM 159 CD2 LEU A 9 1.468 0.653 -3.520 1.00 0.00 C ATOM 0 H LEU A 9 5.015 -1.608 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 9 2.255 -2.646 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.566 -0.147 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.219 0.065 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 9 0.700 -1.023 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.411 -1.826 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.171 -2.743 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.108 -1.516 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.770 0.552 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.424 1.021 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.066 1.358 -4.248 1.00 0.00 H new ATOM 171 N TYR A 10 1.900 -2.518 -8.111 1.00 0.00 N ATOM 172 CA TYR A 10 1.696 -2.543 -9.549 1.00 0.00 C ATOM 173 C TYR A 10 0.544 -1.623 -9.956 1.00 0.00 C ATOM 174 O TYR A 10 -0.592 -1.818 -9.529 1.00 0.00 O ATOM 175 CB TYR A 10 1.327 -3.987 -9.897 1.00 0.00 C ATOM 176 CG TYR A 10 1.256 -4.266 -11.400 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.360 -4.041 -12.197 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.087 -4.742 -11.958 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.292 -4.303 -13.611 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.019 -5.004 -13.373 1.00 0.00 C ATOM 181 CZ TYR A 10 1.125 -4.772 -14.129 1.00 0.00 C ATOM 182 OH TYR A 10 1.061 -5.020 -15.465 1.00 0.00 O ATOM 0 H TYR A 10 1.206 -3.037 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 10 2.591 -2.203 -10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.060 -4.657 -9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.362 -4.223 -9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.275 -3.668 -11.760 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.777 -4.918 -11.334 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.148 -4.131 -14.246 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.890 -5.376 -13.823 1.00 0.00 H new ATOM 0 HH TYR A 10 0.168 -5.352 -15.694 1.00 0.00 H new ATOM 192 N CYS A 11 0.878 -0.638 -10.778 1.00 0.00 N ATOM 193 CA CYS A 11 -0.115 0.313 -11.248 1.00 0.00 C ATOM 194 C CYS A 11 -0.599 -0.139 -12.627 1.00 0.00 C ATOM 195 O CYS A 11 -0.195 0.421 -13.645 1.00 0.00 O ATOM 196 CB CYS A 11 0.438 1.739 -11.277 1.00 0.00 C ATOM 197 SG CYS A 11 -0.881 2.912 -11.759 1.00 0.00 S ATOM 0 H CYS A 11 1.822 -0.478 -11.130 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.958 0.334 -10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.832 2.005 -10.296 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.267 1.802 -11.981 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.484 4.129 -11.532 1.00 0.00 H new ATOM 203 N SER A 12 -1.458 -1.148 -12.616 1.00 0.00 N ATOM 204 CA SER A 12 -2.001 -1.682 -13.853 1.00 0.00 C ATOM 205 C SER A 12 -2.261 -0.545 -14.844 1.00 0.00 C ATOM 206 O SER A 12 -2.150 -0.734 -16.054 1.00 0.00 O ATOM 207 CB SER A 12 -3.290 -2.466 -13.596 1.00 0.00 C ATOM 208 OG SER A 12 -4.411 -1.605 -13.415 1.00 0.00 O ATOM 0 H SER A 12 -1.791 -1.610 -11.770 1.00 0.00 H new ATOM 0 HA SER A 12 -1.269 -2.368 -14.280 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.480 -3.137 -14.434 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.165 -3.089 -12.711 1.00 0.00 H new ATOM 0 HG SER A 12 -4.981 -1.956 -12.699 1.00 0.00 H new ATOM 214 N ASN A 13 -2.601 0.611 -14.294 1.00 0.00 N ATOM 215 CA ASN A 13 -2.878 1.778 -15.114 1.00 0.00 C ATOM 216 C ASN A 13 -1.867 1.840 -16.261 1.00 0.00 C ATOM 217 O ASN A 13 -2.232 1.671 -17.424 1.00 0.00 O ATOM 218 CB ASN A 13 -2.748 3.067 -14.300 1.00 0.00 C ATOM 219 CG ASN A 13 -3.657 4.163 -14.859 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.572 3.914 -15.628 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.356 5.386 -14.432 1.00 0.00 N ATOM 0 H ASN A 13 -2.691 0.765 -13.290 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.897 1.691 -15.491 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.006 2.871 -13.259 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.712 3.407 -14.313 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.904 6.186 -14.748 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.577 5.524 -13.788 1.00 0.00 H new ATOM 228 N GLY A 14 -0.617 2.083 -15.894 1.00 0.00 N ATOM 229 CA GLY A 14 0.448 2.170 -16.878 1.00 0.00 C ATOM 230 C GLY A 14 1.474 1.053 -16.675 1.00 0.00 C ATOM 231 O GLY A 14 2.227 0.724 -17.590 1.00 0.00 O ATOM 0 H GLY A 14 -0.318 2.222 -14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.027 2.104 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.940 3.139 -16.802 1.00 0.00 H new ATOM 235 N GLY A 15 1.470 0.501 -15.471 1.00 0.00 N ATOM 236 CA GLY A 15 2.391 -0.571 -15.136 1.00 0.00 C ATOM 237 C GLY A 15 3.735 -0.013 -14.664 1.00 0.00 C ATOM 238 O GLY A 15 4.602 0.301 -15.478 1.00 0.00 O ATOM 0 H GLY A 15 0.843 0.776 -14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.958 -1.196 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.544 -1.209 -16.006 1.00 0.00 H new ATOM 242 N HIS A 16 3.866 0.094 -13.350 1.00 0.00 N ATOM 243 CA HIS A 16 5.090 0.609 -12.759 1.00 0.00 C ATOM 244 C HIS A 16 5.199 0.134 -11.309 1.00 0.00 C ATOM 245 O HIS A 16 4.308 -0.549 -10.806 1.00 0.00 O ATOM 246 CB HIS A 16 5.157 2.132 -12.891 1.00 0.00 C ATOM 247 CG HIS A 16 5.178 2.624 -14.318 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.039 2.702 -15.101 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.209 3.065 -15.094 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.381 3.168 -16.293 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.727 3.392 -16.287 1.00 0.00 N ATOM 0 H HIS A 16 3.145 -0.167 -12.678 1.00 0.00 H new ATOM 0 HA HIS A 16 5.952 0.217 -13.299 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.299 2.569 -12.379 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.050 2.492 -12.380 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.243 3.136 -14.790 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.712 3.340 -17.123 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.273 3.751 -17.070 1.00 0.00 H new ATOM 259 N PHE A 17 6.300 0.513 -10.677 1.00 0.00 N ATOM 260 CA PHE A 17 6.538 0.134 -9.295 1.00 0.00 C ATOM 261 C PHE A 17 6.854 1.361 -8.437 1.00 0.00 C ATOM 262 O PHE A 17 7.539 2.278 -8.887 1.00 0.00 O ATOM 263 CB PHE A 17 7.748 -0.802 -9.289 1.00 0.00 C ATOM 264 CG PHE A 17 7.437 -2.222 -9.767 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.299 -2.844 -9.357 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.300 -2.863 -10.601 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.011 -4.162 -9.800 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.012 -4.181 -11.044 1.00 0.00 C ATOM 269 CZ PHE A 17 6.874 -4.803 -10.634 1.00 0.00 C ATOM 0 H PHE A 17 7.037 1.079 -11.097 1.00 0.00 H new ATOM 0 HA PHE A 17 5.650 -0.346 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.526 -0.378 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.153 -0.850 -8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.614 -2.335 -8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.204 -2.369 -10.926 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.107 -4.656 -9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.697 -4.690 -11.707 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.655 -5.806 -10.970 1.00 0.00 H new ATOM 279 N LEU A 18 6.339 1.338 -7.216 1.00 0.00 N ATOM 280 CA LEU A 18 6.558 2.437 -6.291 1.00 0.00 C ATOM 281 C LEU A 18 7.953 2.310 -5.676 1.00 0.00 C ATOM 282 O LEU A 18 8.226 1.367 -4.935 1.00 0.00 O ATOM 283 CB LEU A 18 5.433 2.498 -5.256 1.00 0.00 C ATOM 284 CG LEU A 18 5.208 3.856 -4.588 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.640 4.869 -5.584 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.326 3.717 -3.346 1.00 0.00 C ATOM 0 H LEU A 18 5.771 0.576 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 18 6.527 3.391 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.504 2.195 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.642 1.763 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 18 6.174 4.237 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.489 5.826 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.339 4.998 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.687 4.506 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.182 4.697 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.359 3.304 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.808 3.051 -2.630 1.00 0.00 H new ATOM 298 N ARG A 19 8.800 3.274 -6.006 1.00 0.00 N ATOM 299 CA ARG A 19 10.160 3.283 -5.495 1.00 0.00 C ATOM 300 C ARG A 19 10.405 4.539 -4.657 1.00 0.00 C ATOM 301 O ARG A 19 9.783 5.575 -4.889 1.00 0.00 O ATOM 302 CB ARG A 19 11.178 3.233 -6.637 1.00 0.00 C ATOM 303 CG ARG A 19 11.751 4.623 -6.921 1.00 0.00 C ATOM 304 CD ARG A 19 12.548 4.631 -8.227 1.00 0.00 C ATOM 305 NE ARG A 19 11.766 5.297 -9.293 1.00 0.00 N ATOM 306 CZ ARG A 19 12.311 5.954 -10.326 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.644 6.036 -10.439 1.00 0.00 N ATOM 308 NH2 ARG A 19 11.524 6.528 -11.246 1.00 0.00 N ATOM 0 H ARG A 19 8.570 4.055 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 19 10.286 2.397 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.986 2.548 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.703 2.841 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.940 5.349 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.394 4.931 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.495 5.150 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.786 3.610 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 19 10.748 5.253 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.243 5.598 -9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.059 6.536 -11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.510 6.465 -11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.939 7.028 -12.032 1.00 0.00 H new ATOM 322 N ILE A 20 11.313 4.407 -3.702 1.00 0.00 N ATOM 323 CA ILE A 20 11.648 5.519 -2.828 1.00 0.00 C ATOM 324 C ILE A 20 13.147 5.808 -2.930 1.00 0.00 C ATOM 325 O ILE A 20 13.967 5.035 -2.437 1.00 0.00 O ATOM 326 CB ILE A 20 11.171 5.241 -1.401 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.708 4.792 -1.390 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.405 6.455 -0.499 1.00 0.00 C ATOM 329 CD1 ILE A 20 9.179 4.685 0.042 1.00 0.00 C ATOM 0 H ILE A 20 11.828 3.547 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 20 11.126 6.423 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 20 11.763 4.420 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.102 5.501 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.616 3.827 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.057 6.231 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.469 6.689 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.855 7.311 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.137 4.364 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.772 3.957 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.250 5.657 0.530 1.00 0.00 H new ATOM 341 N LEU A 21 13.459 6.924 -3.573 1.00 0.00 N ATOM 342 CA LEU A 21 14.845 7.325 -3.746 1.00 0.00 C ATOM 343 C LEU A 21 15.323 8.048 -2.485 1.00 0.00 C ATOM 344 O LEU A 21 14.514 8.572 -1.721 1.00 0.00 O ATOM 345 CB LEU A 21 15.009 8.147 -5.025 1.00 0.00 C ATOM 346 CG LEU A 21 14.423 7.532 -6.298 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.476 8.524 -7.461 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.118 6.212 -6.639 1.00 0.00 C ATOM 0 H LEU A 21 12.776 7.563 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 21 15.482 6.450 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.545 9.121 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.073 8.323 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 21 13.372 7.306 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.054 8.062 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.901 9.414 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.512 8.804 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.683 5.796 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.182 6.391 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.985 5.508 -5.818 1.00 0.00 H new ATOM 360 N PRO A 22 16.671 8.053 -2.301 1.00 0.00 N ATOM 361 CA PRO A 22 17.266 8.703 -1.146 1.00 0.00 C ATOM 362 C PRO A 22 17.247 10.225 -1.303 1.00 0.00 C ATOM 363 O PRO A 22 17.698 10.949 -0.416 1.00 0.00 O ATOM 364 CB PRO A 22 18.672 8.133 -1.056 1.00 0.00 C ATOM 365 CG PRO A 22 18.971 7.540 -2.423 1.00 0.00 C ATOM 366 CD PRO A 22 17.659 7.443 -3.185 1.00 0.00 C ATOM 0 HA PRO A 22 16.714 8.514 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.393 8.910 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.736 7.372 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.681 8.166 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.427 6.555 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.715 7.968 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.406 6.406 -3.407 1.00 0.00 H new ATOM 374 N ASP A 23 16.720 10.664 -2.436 1.00 0.00 N ATOM 375 CA ASP A 23 16.636 12.087 -2.720 1.00 0.00 C ATOM 376 C ASP A 23 15.236 12.591 -2.367 1.00 0.00 C ATOM 377 O ASP A 23 14.985 13.795 -2.376 1.00 0.00 O ATOM 378 CB ASP A 23 16.880 12.367 -4.204 1.00 0.00 C ATOM 379 CG ASP A 23 18.250 12.963 -4.534 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.626 13.936 -3.845 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.890 12.432 -5.467 1.00 0.00 O ATOM 0 H ASP A 23 16.347 10.060 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 23 17.397 12.595 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.763 11.435 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.108 13.049 -4.561 1.00 0.00 H new ATOM 386 N GLY A 24 14.360 11.645 -2.063 1.00 0.00 N ATOM 387 CA GLY A 24 12.991 11.978 -1.707 1.00 0.00 C ATOM 388 C GLY A 24 12.101 12.041 -2.950 1.00 0.00 C ATOM 389 O GLY A 24 11.346 12.995 -3.130 1.00 0.00 O ATOM 0 H GLY A 24 14.572 10.647 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.601 11.234 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.969 12.938 -1.191 1.00 0.00 H new ATOM 393 N THR A 25 12.220 11.012 -3.776 1.00 0.00 N ATOM 394 CA THR A 25 11.436 10.938 -4.997 1.00 0.00 C ATOM 395 C THR A 25 10.671 9.614 -5.061 1.00 0.00 C ATOM 396 O THR A 25 11.234 8.554 -4.788 1.00 0.00 O ATOM 397 CB THR A 25 12.382 11.150 -6.181 1.00 0.00 C ATOM 398 OG1 THR A 25 12.600 12.558 -6.203 1.00 0.00 O ATOM 399 CG2 THR A 25 11.714 10.855 -7.525 1.00 0.00 C ATOM 0 H THR A 25 12.848 10.223 -3.624 1.00 0.00 H new ATOM 0 HA THR A 25 10.676 11.719 -5.026 1.00 0.00 H new ATOM 0 HB THR A 25 13.258 10.512 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.205 12.784 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.429 11.021 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.379 9.818 -7.545 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.857 11.515 -7.658 1.00 0.00 H new ATOM 407 N VAL A 26 9.401 9.718 -5.422 1.00 0.00 N ATOM 408 CA VAL A 26 8.553 8.542 -5.524 1.00 0.00 C ATOM 409 C VAL A 26 7.783 8.588 -6.845 1.00 0.00 C ATOM 410 O VAL A 26 6.841 9.366 -6.992 1.00 0.00 O ATOM 411 CB VAL A 26 7.638 8.448 -4.301 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.090 7.030 -4.135 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.366 8.907 -3.036 1.00 0.00 C ATOM 0 H VAL A 26 8.938 10.598 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 26 9.157 7.635 -5.531 1.00 0.00 H new ATOM 0 HB VAL A 26 6.792 9.117 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.443 6.990 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.518 6.755 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.918 6.333 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.694 8.830 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.239 8.276 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.685 9.942 -3.155 1.00 0.00 H new ATOM 423 N ASP A 27 8.211 7.745 -7.773 1.00 0.00 N ATOM 424 CA ASP A 27 7.573 7.679 -9.077 1.00 0.00 C ATOM 425 C ASP A 27 7.707 6.261 -9.634 1.00 0.00 C ATOM 426 O ASP A 27 8.542 5.484 -9.172 1.00 0.00 O ATOM 427 CB ASP A 27 8.238 8.640 -10.064 1.00 0.00 C ATOM 428 CG ASP A 27 8.854 9.891 -9.435 1.00 0.00 C ATOM 429 OD1 ASP A 27 8.068 10.702 -8.899 1.00 0.00 O ATOM 430 OD2 ASP A 27 10.097 10.008 -9.503 1.00 0.00 O ATOM 0 H ASP A 27 8.992 7.101 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 27 6.526 7.955 -8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.018 8.101 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.497 8.950 -10.801 1.00 0.00 H new ATOM 435 N GLY A 28 6.871 5.965 -10.619 1.00 0.00 N ATOM 436 CA GLY A 28 6.885 4.654 -11.244 1.00 0.00 C ATOM 437 C GLY A 28 8.124 4.480 -12.126 1.00 0.00 C ATOM 438 O GLY A 28 8.431 5.341 -12.948 1.00 0.00 O ATOM 0 H GLY A 28 6.180 6.611 -10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.870 3.881 -10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.985 4.524 -11.845 1.00 0.00 H new ATOM 442 N THR A 29 8.802 3.360 -11.924 1.00 0.00 N ATOM 443 CA THR A 29 10.000 3.062 -12.690 1.00 0.00 C ATOM 444 C THR A 29 9.822 1.760 -13.474 1.00 0.00 C ATOM 445 O THR A 29 10.686 1.384 -14.264 1.00 0.00 O ATOM 446 CB THR A 29 11.184 3.031 -11.722 1.00 0.00 C ATOM 447 OG1 THR A 29 12.282 2.612 -12.529 1.00 0.00 O ATOM 448 CG2 THR A 29 11.053 1.926 -10.671 1.00 0.00 C ATOM 0 H THR A 29 8.544 2.648 -11.241 1.00 0.00 H new ATOM 0 HA THR A 29 10.193 3.831 -13.438 1.00 0.00 H new ATOM 0 HB THR A 29 11.271 3.997 -11.225 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.967 2.421 -13.437 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.919 1.948 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.146 2.085 -10.087 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.000 0.957 -11.167 1.00 0.00 H new ATOM 456 N ARG A 30 8.695 1.109 -13.229 1.00 0.00 N ATOM 457 CA ARG A 30 8.392 -0.143 -13.902 1.00 0.00 C ATOM 458 C ARG A 30 9.681 -0.909 -14.203 1.00 0.00 C ATOM 459 O ARG A 30 9.822 -1.498 -15.274 1.00 0.00 O ATOM 460 CB ARG A 30 7.637 0.104 -15.210 1.00 0.00 C ATOM 461 CG ARG A 30 7.060 -1.200 -15.765 1.00 0.00 C ATOM 462 CD ARG A 30 7.047 -1.186 -17.295 1.00 0.00 C ATOM 463 NE ARG A 30 6.724 -2.536 -17.810 1.00 0.00 N ATOM 464 CZ ARG A 30 6.889 -2.912 -19.085 1.00 0.00 C ATOM 465 NH1 ARG A 30 7.375 -2.043 -19.983 1.00 0.00 N ATOM 466 NH2 ARG A 30 6.569 -4.157 -19.463 1.00 0.00 N ATOM 0 H ARG A 30 7.980 1.425 -12.574 1.00 0.00 H new ATOM 0 HA ARG A 30 7.761 -0.733 -13.237 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.832 0.819 -15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.309 0.550 -15.943 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.652 -2.044 -15.410 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.046 -1.342 -15.390 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.313 -0.465 -17.654 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.018 -0.866 -17.672 1.00 0.00 H new ATOM 0 HE ARG A 30 6.353 -3.222 -17.153 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.619 -1.095 -19.695 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.501 -2.330 -20.954 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.200 -4.818 -18.780 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.695 -4.443 -20.434 1.00 0.00 H new ATOM 480 N ASP A 31 10.590 -0.877 -13.239 1.00 0.00 N ATOM 481 CA ASP A 31 11.863 -1.561 -13.387 1.00 0.00 C ATOM 482 C ASP A 31 12.152 -2.371 -12.122 1.00 0.00 C ATOM 483 O ASP A 31 12.429 -1.803 -11.066 1.00 0.00 O ATOM 484 CB ASP A 31 13.006 -0.563 -13.580 1.00 0.00 C ATOM 485 CG ASP A 31 13.914 -0.843 -14.779 1.00 0.00 C ATOM 486 OD1 ASP A 31 13.699 -1.895 -15.420 1.00 0.00 O ATOM 487 OD2 ASP A 31 14.801 0.001 -15.029 1.00 0.00 O ATOM 0 H ASP A 31 10.470 -0.388 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 31 11.798 -2.208 -14.262 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.582 0.435 -13.690 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.616 -0.553 -12.676 1.00 0.00 H new ATOM 492 N ARG A 32 12.077 -3.686 -12.269 1.00 0.00 N ATOM 493 CA ARG A 32 12.327 -4.580 -11.151 1.00 0.00 C ATOM 494 C ARG A 32 13.811 -4.563 -10.780 1.00 0.00 C ATOM 495 O ARG A 32 14.176 -4.892 -9.652 1.00 0.00 O ATOM 496 CB ARG A 32 11.908 -6.012 -11.487 1.00 0.00 C ATOM 497 CG ARG A 32 10.461 -6.274 -11.064 1.00 0.00 C ATOM 498 CD ARG A 32 10.352 -7.569 -10.256 1.00 0.00 C ATOM 499 NE ARG A 32 10.650 -8.732 -11.122 1.00 0.00 N ATOM 500 CZ ARG A 32 9.828 -9.188 -12.077 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.653 -8.583 -12.295 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.182 -10.250 -12.814 1.00 0.00 N ATOM 0 H ARG A 32 11.847 -4.154 -13.146 1.00 0.00 H new ATOM 0 HA ARG A 32 11.734 -4.229 -10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.014 -6.184 -12.558 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.571 -6.716 -10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.095 -5.438 -10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.826 -6.338 -11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.046 -7.543 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.350 -7.663 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 32 11.537 -9.217 -10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.384 -7.775 -11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.028 -8.930 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.077 -10.711 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.557 -10.598 -13.541 1.00 0.00 H new ATOM 516 N SER A 33 14.627 -4.177 -11.750 1.00 0.00 N ATOM 517 CA SER A 33 16.063 -4.114 -11.540 1.00 0.00 C ATOM 518 C SER A 33 16.377 -3.216 -10.342 1.00 0.00 C ATOM 519 O SER A 33 17.214 -3.558 -9.508 1.00 0.00 O ATOM 520 CB SER A 33 16.781 -3.601 -12.790 1.00 0.00 C ATOM 521 OG SER A 33 17.993 -4.308 -13.037 1.00 0.00 O ATOM 0 H SER A 33 14.320 -3.905 -12.684 1.00 0.00 H new ATOM 0 HA SER A 33 16.423 -5.122 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.122 -3.699 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.998 -2.539 -12.673 1.00 0.00 H new ATOM 0 HG SER A 33 18.421 -3.952 -13.844 1.00 0.00 H new ATOM 527 N ASP A 34 15.689 -2.085 -10.294 1.00 0.00 N ATOM 528 CA ASP A 34 15.884 -1.136 -9.211 1.00 0.00 C ATOM 529 C ASP A 34 15.837 -1.877 -7.874 1.00 0.00 C ATOM 530 O ASP A 34 15.078 -2.831 -7.715 1.00 0.00 O ATOM 531 CB ASP A 34 14.780 -0.076 -9.203 1.00 0.00 C ATOM 532 CG ASP A 34 15.267 1.363 -9.014 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.959 1.852 -9.933 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.935 1.940 -7.956 1.00 0.00 O ATOM 0 H ASP A 34 14.996 -1.804 -10.988 1.00 0.00 H new ATOM 0 HA ASP A 34 16.849 -0.651 -9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.231 -0.138 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.075 -0.313 -8.406 1.00 0.00 H new ATOM 539 N GLN A 35 16.660 -1.410 -6.946 1.00 0.00 N ATOM 540 CA GLN A 35 16.722 -2.017 -5.627 1.00 0.00 C ATOM 541 C GLN A 35 16.081 -1.095 -4.588 1.00 0.00 C ATOM 542 O GLN A 35 16.047 -1.420 -3.402 1.00 0.00 O ATOM 543 CB GLN A 35 18.166 -2.353 -5.246 1.00 0.00 C ATOM 544 CG GLN A 35 19.062 -1.117 -5.349 1.00 0.00 C ATOM 545 CD GLN A 35 20.420 -1.368 -4.691 1.00 0.00 C ATOM 546 OE1 GLN A 35 20.589 -1.243 -3.489 1.00 0.00 O ATOM 547 NE2 GLN A 35 21.376 -1.728 -5.543 1.00 0.00 N ATOM 0 H GLN A 35 17.289 -0.619 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 35 16.160 -2.951 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.196 -2.745 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.546 -3.137 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.205 -0.853 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.573 -0.268 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.167 -1.814 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 35 22.318 -1.918 -5.202 1.00 0.00 H new ATOM 556 N HIS A 36 15.588 0.036 -5.071 1.00 0.00 N ATOM 557 CA HIS A 36 14.950 1.007 -4.198 1.00 0.00 C ATOM 558 C HIS A 36 13.430 0.861 -4.294 1.00 0.00 C ATOM 559 O HIS A 36 12.690 1.595 -3.641 1.00 0.00 O ATOM 560 CB HIS A 36 15.431 2.423 -4.517 1.00 0.00 C ATOM 561 CG HIS A 36 16.929 2.544 -4.663 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.630 1.963 -5.705 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.851 3.186 -3.890 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.916 2.247 -5.555 1.00 0.00 C ATOM 565 NE2 HIS A 36 19.051 3.005 -4.429 1.00 0.00 N ATOM 0 H HIS A 36 15.617 0.302 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 36 15.235 0.814 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.958 2.757 -5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.098 3.096 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.641 3.747 -2.991 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.716 1.933 -6.209 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.929 3.372 -4.062 1.00 0.00 H new ATOM 573 N ILE A 37 13.009 -0.090 -5.115 1.00 0.00 N ATOM 574 CA ILE A 37 11.590 -0.341 -5.305 1.00 0.00 C ATOM 575 C ILE A 37 11.094 -1.290 -4.212 1.00 0.00 C ATOM 576 O ILE A 37 9.956 -1.178 -3.758 1.00 0.00 O ATOM 577 CB ILE A 37 11.321 -0.844 -6.725 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.175 -2.073 -7.043 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.521 0.275 -7.750 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.527 -2.922 -8.138 1.00 0.00 C ATOM 0 H ILE A 37 13.626 -0.696 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 37 11.022 0.584 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 37 10.278 -1.154 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.168 -1.757 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.305 -2.673 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.324 -0.109 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.835 1.094 -7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.547 0.638 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.154 -3.789 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.544 -3.256 -7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.420 -2.327 -9.045 1.00 0.00 H new ATOM 592 N GLN A 38 11.971 -2.202 -3.821 1.00 0.00 N ATOM 593 CA GLN A 38 11.636 -3.169 -2.790 1.00 0.00 C ATOM 594 C GLN A 38 11.148 -2.454 -1.529 1.00 0.00 C ATOM 595 O GLN A 38 11.949 -2.072 -0.678 1.00 0.00 O ATOM 596 CB GLN A 38 12.829 -4.075 -2.479 1.00 0.00 C ATOM 597 CG GLN A 38 13.186 -4.945 -3.686 1.00 0.00 C ATOM 598 CD GLN A 38 14.572 -5.573 -3.519 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.570 -4.897 -3.332 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.577 -6.901 -3.596 1.00 0.00 N ATOM 0 H GLN A 38 12.914 -2.292 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 38 10.829 -3.801 -3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.689 -3.467 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.595 -4.710 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.439 -5.730 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.163 -4.341 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.705 -7.406 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.453 -7.414 -3.497 1.00 0.00 H new ATOM 609 N LEU A 39 9.835 -2.293 -1.449 1.00 0.00 N ATOM 610 CA LEU A 39 9.230 -1.630 -0.306 1.00 0.00 C ATOM 611 C LEU A 39 8.717 -2.684 0.677 1.00 0.00 C ATOM 612 O LEU A 39 8.278 -3.758 0.268 1.00 0.00 O ATOM 613 CB LEU A 39 8.156 -0.643 -0.767 1.00 0.00 C ATOM 614 CG LEU A 39 8.659 0.716 -1.258 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.558 1.470 -2.005 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.234 1.537 -0.103 1.00 0.00 C ATOM 0 H LEU A 39 9.173 -2.610 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 39 9.971 -1.033 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.584 -1.108 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.466 -0.475 0.060 1.00 0.00 H new ATOM 0 HG LEU A 39 9.470 0.545 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.941 2.433 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.236 0.885 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.711 1.631 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.584 2.498 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.460 1.701 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.068 0.998 0.347 1.00 0.00 H new ATOM 628 N GLN A 40 8.790 -2.340 1.954 1.00 0.00 N ATOM 629 CA GLN A 40 8.338 -3.244 2.999 1.00 0.00 C ATOM 630 C GLN A 40 7.004 -2.764 3.575 1.00 0.00 C ATOM 631 O GLN A 40 6.932 -1.693 4.176 1.00 0.00 O ATOM 632 CB GLN A 40 9.392 -3.381 4.099 1.00 0.00 C ATOM 633 CG GLN A 40 10.019 -4.777 4.087 1.00 0.00 C ATOM 634 CD GLN A 40 9.387 -5.671 5.156 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.004 -6.030 6.145 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.126 -6.009 4.902 1.00 0.00 N ATOM 0 H GLN A 40 9.155 -1.448 2.289 1.00 0.00 H new ATOM 0 HA GLN A 40 8.188 -4.230 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.168 -2.629 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.936 -3.192 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.887 -5.230 3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.092 -4.699 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.669 -5.673 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.616 -6.604 5.555 1.00 0.00 H new ATOM 645 N LEU A 41 5.980 -3.580 3.371 1.00 0.00 N ATOM 646 CA LEU A 41 4.653 -3.253 3.863 1.00 0.00 C ATOM 647 C LEU A 41 4.452 -3.889 5.240 1.00 0.00 C ATOM 648 O LEU A 41 4.804 -5.049 5.449 1.00 0.00 O ATOM 649 CB LEU A 41 3.589 -3.654 2.839 1.00 0.00 C ATOM 650 CG LEU A 41 3.400 -2.699 1.659 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.942 -3.311 0.366 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.935 -2.277 1.523 1.00 0.00 C ATOM 0 H LEU A 41 6.043 -4.467 2.871 1.00 0.00 H new ATOM 0 HA LEU A 41 4.549 -2.176 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.844 -4.639 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.635 -3.754 3.356 1.00 0.00 H new ATOM 0 HG LEU A 41 3.978 -1.796 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.795 -2.612 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.006 -3.519 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.412 -4.239 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.829 -1.598 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.316 -3.159 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.616 -1.772 2.435 1.00 0.00 H new ATOM 664 N SER A 42 3.887 -3.102 6.143 1.00 0.00 N ATOM 665 CA SER A 42 3.636 -3.574 7.494 1.00 0.00 C ATOM 666 C SER A 42 2.200 -3.242 7.906 1.00 0.00 C ATOM 667 O SER A 42 1.548 -2.408 7.279 1.00 0.00 O ATOM 668 CB SER A 42 4.627 -2.960 8.485 1.00 0.00 C ATOM 669 OG SER A 42 4.316 -3.304 9.833 1.00 0.00 O ATOM 0 H SER A 42 3.596 -2.141 5.966 1.00 0.00 H new ATOM 0 HA SER A 42 3.771 -4.655 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.635 -3.300 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.623 -1.875 8.377 1.00 0.00 H new ATOM 0 HG SER A 42 4.972 -2.895 10.435 1.00 0.00 H new ATOM 675 N ALA A 43 1.749 -3.912 8.956 1.00 0.00 N ATOM 676 CA ALA A 43 0.402 -3.699 9.458 1.00 0.00 C ATOM 677 C ALA A 43 0.471 -3.278 10.928 1.00 0.00 C ATOM 678 O ALA A 43 1.098 -3.955 11.742 1.00 0.00 O ATOM 679 CB ALA A 43 -0.426 -4.968 9.253 1.00 0.00 C ATOM 0 H ALA A 43 2.293 -4.603 9.473 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.090 -2.897 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.436 -4.808 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.468 -5.207 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.036 -5.795 9.793 1.00 0.00 H new ATOM 685 N GLU A 44 -0.181 -2.164 11.223 1.00 0.00 N ATOM 686 CA GLU A 44 -0.202 -1.645 12.580 1.00 0.00 C ATOM 687 C GLU A 44 -1.621 -1.707 13.150 1.00 0.00 C ATOM 688 O GLU A 44 -1.817 -2.123 14.291 1.00 0.00 O ATOM 689 CB GLU A 44 0.347 -0.218 12.630 1.00 0.00 C ATOM 690 CG GLU A 44 -0.454 0.644 13.608 1.00 0.00 C ATOM 691 CD GLU A 44 0.317 1.912 13.980 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.545 1.792 14.177 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.340 2.973 14.058 1.00 0.00 O ATOM 0 H GLU A 44 -0.699 -1.605 10.545 1.00 0.00 H new ATOM 0 HA GLU A 44 0.444 -2.269 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.394 -0.238 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.310 0.225 11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.411 0.914 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.673 0.070 14.508 1.00 0.00 H new ATOM 700 N SER A 45 -2.573 -1.287 12.330 1.00 0.00 N ATOM 701 CA SER A 45 -3.967 -1.290 12.739 1.00 0.00 C ATOM 702 C SER A 45 -4.814 -2.032 11.703 1.00 0.00 C ATOM 703 O SER A 45 -4.354 -2.298 10.594 1.00 0.00 O ATOM 704 CB SER A 45 -4.488 0.136 12.928 1.00 0.00 C ATOM 705 OG SER A 45 -3.506 1.112 12.594 1.00 0.00 O ATOM 0 H SER A 45 -2.406 -0.942 11.385 1.00 0.00 H new ATOM 0 HA SER A 45 -4.042 -1.805 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.372 0.284 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.799 0.274 13.964 1.00 0.00 H new ATOM 0 HG SER A 45 -3.934 1.861 12.129 1.00 0.00 H new ATOM 711 N VAL A 46 -6.038 -2.346 12.102 1.00 0.00 N ATOM 712 CA VAL A 46 -6.954 -3.052 11.223 1.00 0.00 C ATOM 713 C VAL A 46 -7.363 -2.130 10.073 1.00 0.00 C ATOM 714 O VAL A 46 -8.025 -1.116 10.290 1.00 0.00 O ATOM 715 CB VAL A 46 -8.149 -3.576 12.023 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.196 -4.201 11.098 1.00 0.00 C ATOM 717 CG2 VAL A 46 -7.697 -4.572 13.093 1.00 0.00 C ATOM 0 H VAL A 46 -6.417 -2.124 13.023 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.467 -3.923 10.784 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.612 -2.729 12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.035 -4.565 11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.551 -3.451 10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.749 -5.032 10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.565 -4.929 13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.198 -5.416 12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.006 -4.081 13.778 1.00 0.00 H new ATOM 727 N GLY A 47 -6.952 -2.514 8.873 1.00 0.00 N ATOM 728 CA GLY A 47 -7.267 -1.735 7.688 1.00 0.00 C ATOM 729 C GLY A 47 -6.181 -0.694 7.412 1.00 0.00 C ATOM 730 O GLY A 47 -6.321 0.131 6.510 1.00 0.00 O ATOM 0 H GLY A 47 -6.403 -3.355 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.367 -2.398 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.228 -1.237 7.820 1.00 0.00 H new ATOM 734 N GLU A 48 -5.121 -0.766 8.204 1.00 0.00 N ATOM 735 CA GLU A 48 -4.011 0.160 8.056 1.00 0.00 C ATOM 736 C GLU A 48 -2.721 -0.604 7.751 1.00 0.00 C ATOM 737 O GLU A 48 -2.492 -1.684 8.293 1.00 0.00 O ATOM 738 CB GLU A 48 -3.852 1.029 9.305 1.00 0.00 C ATOM 739 CG GLU A 48 -5.030 1.994 9.455 1.00 0.00 C ATOM 740 CD GLU A 48 -4.588 3.299 10.121 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.324 3.252 11.342 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.525 4.314 9.394 1.00 0.00 O ATOM 0 H GLU A 48 -5.007 -1.452 8.951 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.225 0.823 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.783 0.394 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.921 1.593 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.457 2.208 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.815 1.526 10.049 1.00 0.00 H new ATOM 749 N VAL A 49 -1.911 -0.012 6.885 1.00 0.00 N ATOM 750 CA VAL A 49 -0.650 -0.623 6.502 1.00 0.00 C ATOM 751 C VAL A 49 0.437 0.453 6.446 1.00 0.00 C ATOM 752 O VAL A 49 0.147 1.620 6.183 1.00 0.00 O ATOM 753 CB VAL A 49 -0.813 -1.376 5.181 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.822 -2.518 5.322 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.217 -0.424 4.053 1.00 0.00 C ATOM 0 H VAL A 49 -2.104 0.884 6.438 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.342 -1.359 7.244 1.00 0.00 H new ATOM 0 HB VAL A 49 0.152 -1.811 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.919 -3.037 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.476 -3.218 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.791 -2.113 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.326 -0.985 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.165 0.054 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.448 0.339 3.928 1.00 0.00 H new ATOM 765 N TYR A 50 1.664 0.023 6.698 1.00 0.00 N ATOM 766 CA TYR A 50 2.795 0.935 6.680 1.00 0.00 C ATOM 767 C TYR A 50 3.813 0.525 5.613 1.00 0.00 C ATOM 768 O TYR A 50 4.173 -0.646 5.512 1.00 0.00 O ATOM 769 CB TYR A 50 3.448 0.826 8.059 1.00 0.00 C ATOM 770 CG TYR A 50 3.073 1.959 9.017 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.336 3.269 8.672 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.472 1.671 10.225 1.00 0.00 C ATOM 773 CE1 TYR A 50 2.983 4.335 9.573 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.120 2.737 11.126 1.00 0.00 C ATOM 775 CZ TYR A 50 2.392 4.017 10.755 1.00 0.00 C ATOM 776 OH TYR A 50 2.059 5.024 11.606 1.00 0.00 O ATOM 0 H TYR A 50 1.900 -0.945 6.916 1.00 0.00 H new ATOM 0 HA TYR A 50 2.466 1.949 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.165 -0.125 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.531 0.811 7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.806 3.495 7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.266 0.646 10.495 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.183 5.365 9.315 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.650 2.525 12.075 1.00 0.00 H new ATOM 0 HH TYR A 50 2.088 5.879 11.128 1.00 0.00 H new ATOM 786 N ILE A 51 4.248 1.513 4.845 1.00 0.00 N ATOM 787 CA ILE A 51 5.217 1.270 3.790 1.00 0.00 C ATOM 788 C ILE A 51 6.495 2.056 4.087 1.00 0.00 C ATOM 789 O ILE A 51 6.476 3.285 4.131 1.00 0.00 O ATOM 790 CB ILE A 51 4.608 1.580 2.421 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.130 1.187 2.376 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.412 0.918 1.300 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.563 1.342 0.963 1.00 0.00 C ATOM 0 H ILE A 51 3.947 2.484 4.932 1.00 0.00 H new ATOM 0 HA ILE A 51 5.491 0.215 3.759 1.00 0.00 H new ATOM 0 HB ILE A 51 4.659 2.657 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.014 0.155 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.564 1.809 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.958 1.154 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.436 1.290 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.415 -0.162 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.511 1.056 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.658 2.380 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.116 0.700 0.277 1.00 0.00 H new ATOM 805 N LYS A 52 7.576 1.314 4.282 1.00 0.00 N ATOM 806 CA LYS A 52 8.861 1.927 4.574 1.00 0.00 C ATOM 807 C LYS A 52 9.909 1.393 3.595 1.00 0.00 C ATOM 808 O LYS A 52 9.781 0.279 3.089 1.00 0.00 O ATOM 809 CB LYS A 52 9.232 1.721 6.044 1.00 0.00 C ATOM 810 CG LYS A 52 8.277 2.487 6.962 1.00 0.00 C ATOM 811 CD LYS A 52 7.723 1.575 8.060 1.00 0.00 C ATOM 812 CE LYS A 52 8.754 1.367 9.171 1.00 0.00 C ATOM 813 NZ LYS A 52 8.863 -0.069 9.514 1.00 0.00 N ATOM 0 H LYS A 52 7.588 0.295 4.244 1.00 0.00 H new ATOM 0 HA LYS A 52 8.810 3.006 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.201 0.659 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.255 2.057 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.799 3.330 7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.455 2.898 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.816 2.012 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.445 0.612 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.725 1.745 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.466 1.937 10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.567 -0.193 10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.940 -0.419 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.159 -0.605 8.674 1.00 0.00 H new ATOM 827 N SER A 53 10.921 2.214 3.356 1.00 0.00 N ATOM 828 CA SER A 53 11.990 1.838 2.446 1.00 0.00 C ATOM 829 C SER A 53 13.000 0.943 3.167 1.00 0.00 C ATOM 830 O SER A 53 13.367 1.211 4.310 1.00 0.00 O ATOM 831 CB SER A 53 12.688 3.075 1.877 1.00 0.00 C ATOM 832 OG SER A 53 13.396 2.783 0.675 1.00 0.00 O ATOM 0 H SER A 53 11.023 3.138 3.776 1.00 0.00 H new ATOM 0 HA SER A 53 11.553 1.285 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.948 3.851 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.381 3.473 2.618 1.00 0.00 H new ATOM 0 HG SER A 53 14.137 3.415 0.570 1.00 0.00 H new ATOM 838 N THR A 54 13.421 -0.101 2.469 1.00 0.00 N ATOM 839 CA THR A 54 14.381 -1.037 3.028 1.00 0.00 C ATOM 840 C THR A 54 15.781 -0.758 2.477 1.00 0.00 C ATOM 841 O THR A 54 16.723 -1.495 2.763 1.00 0.00 O ATOM 842 CB THR A 54 13.885 -2.455 2.737 1.00 0.00 C ATOM 843 OG1 THR A 54 14.014 -2.584 1.323 1.00 0.00 O ATOM 844 CG2 THR A 54 12.384 -2.613 2.989 1.00 0.00 C ATOM 0 H THR A 54 13.115 -0.319 1.521 1.00 0.00 H new ATOM 0 HA THR A 54 14.462 -0.921 4.109 1.00 0.00 H new ATOM 0 HB THR A 54 14.434 -3.166 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.169 -2.335 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.084 -3.637 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.165 -2.388 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.833 -1.926 2.347 1.00 0.00 H new ATOM 852 N GLU A 55 15.873 0.308 1.695 1.00 0.00 N ATOM 853 CA GLU A 55 17.142 0.693 1.101 1.00 0.00 C ATOM 854 C GLU A 55 17.663 1.977 1.750 1.00 0.00 C ATOM 855 O GLU A 55 18.518 1.927 2.634 1.00 0.00 O ATOM 856 CB GLU A 55 17.010 0.859 -0.414 1.00 0.00 C ATOM 857 CG GLU A 55 18.349 1.250 -1.041 1.00 0.00 C ATOM 858 CD GLU A 55 19.313 0.062 -1.061 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.807 -1.080 -1.005 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.533 0.323 -1.131 1.00 0.00 O ATOM 0 H GLU A 55 15.089 0.917 1.459 1.00 0.00 H new ATOM 0 HA GLU A 55 17.864 -0.103 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.656 -0.072 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.264 1.622 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.188 1.609 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.791 2.072 -0.479 1.00 0.00 H new ATOM 867 N THR A 56 17.127 3.096 1.287 1.00 0.00 N ATOM 868 CA THR A 56 17.528 4.391 1.812 1.00 0.00 C ATOM 869 C THR A 56 17.261 4.463 3.316 1.00 0.00 C ATOM 870 O THR A 56 18.184 4.339 4.121 1.00 0.00 O ATOM 871 CB THR A 56 16.797 5.472 1.013 1.00 0.00 C ATOM 872 OG1 THR A 56 15.422 5.265 1.326 1.00 0.00 O ATOM 873 CG2 THR A 56 16.874 5.237 -0.497 1.00 0.00 C ATOM 0 H THR A 56 16.418 3.134 0.554 1.00 0.00 H new ATOM 0 HA THR A 56 18.600 4.550 1.696 1.00 0.00 H new ATOM 0 HB THR A 56 17.221 6.448 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.875 5.925 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.340 6.032 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.917 5.235 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.420 4.276 -0.739 1.00 0.00 H new ATOM 881 N GLY A 57 15.995 4.662 3.652 1.00 0.00 N ATOM 882 CA GLY A 57 15.595 4.752 5.046 1.00 0.00 C ATOM 883 C GLY A 57 14.518 5.821 5.239 1.00 0.00 C ATOM 884 O GLY A 57 14.591 6.618 6.174 1.00 0.00 O ATOM 0 H GLY A 57 15.232 4.764 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.218 3.786 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.462 4.989 5.662 1.00 0.00 H new ATOM 888 N GLN A 58 13.545 5.805 4.341 1.00 0.00 N ATOM 889 CA GLN A 58 12.454 6.763 4.402 1.00 0.00 C ATOM 890 C GLN A 58 11.108 6.041 4.321 1.00 0.00 C ATOM 891 O GLN A 58 11.037 4.902 3.863 1.00 0.00 O ATOM 892 CB GLN A 58 12.583 7.810 3.293 1.00 0.00 C ATOM 893 CG GLN A 58 14.048 8.185 3.060 1.00 0.00 C ATOM 894 CD GLN A 58 14.216 8.947 1.744 1.00 0.00 C ATOM 895 OE1 GLN A 58 13.724 8.310 0.684 1.00 0.00 O flip ATOM 896 NE2 GLN A 58 14.756 10.039 1.693 1.00 0.00 N flip ATOM 0 H GLN A 58 13.489 5.144 3.567 1.00 0.00 H new ATOM 0 HA GLN A 58 12.506 7.285 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.152 7.422 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.014 8.700 3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.406 8.797 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.660 7.283 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.112 10.472 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.852 10.519 0.798 1.00 0.00 H new ATOM 905 N TYR A 59 10.073 6.735 4.772 1.00 0.00 N ATOM 906 CA TYR A 59 8.732 6.174 4.756 1.00 0.00 C ATOM 907 C TYR A 59 7.895 6.785 3.631 1.00 0.00 C ATOM 908 O TYR A 59 8.019 7.973 3.336 1.00 0.00 O ATOM 909 CB TYR A 59 8.105 6.544 6.102 1.00 0.00 C ATOM 910 CG TYR A 59 8.978 6.204 7.311 1.00 0.00 C ATOM 911 CD1 TYR A 59 10.026 5.316 7.177 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.718 6.784 8.535 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.848 4.995 8.315 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.540 6.464 9.673 1.00 0.00 C ATOM 915 CZ TYR A 59 10.564 5.585 9.507 1.00 0.00 C ATOM 916 OH TYR A 59 11.341 5.282 10.582 1.00 0.00 O ATOM 0 H TYR A 59 10.136 7.680 5.151 1.00 0.00 H new ATOM 0 HA TYR A 59 8.768 5.097 4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.892 7.613 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.150 6.028 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.230 4.862 6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.898 7.478 8.640 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.671 4.302 8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.348 6.912 10.637 1.00 0.00 H new ATOM 0 HH TYR A 59 11.023 5.777 11.365 1.00 0.00 H new ATOM 926 N LEU A 60 7.062 5.946 3.033 1.00 0.00 N ATOM 927 CA LEU A 60 6.205 6.389 1.947 1.00 0.00 C ATOM 928 C LEU A 60 5.022 7.170 2.522 1.00 0.00 C ATOM 929 O LEU A 60 4.149 6.593 3.169 1.00 0.00 O ATOM 930 CB LEU A 60 5.793 5.203 1.072 1.00 0.00 C ATOM 931 CG LEU A 60 4.858 5.525 -0.096 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.650 5.750 -1.385 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.793 4.439 -0.260 1.00 0.00 C ATOM 0 H LEU A 60 6.962 4.961 3.280 1.00 0.00 H new ATOM 0 HA LEU A 60 6.745 7.069 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.696 4.741 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.308 4.460 1.706 1.00 0.00 H new ATOM 0 HG LEU A 60 4.337 6.456 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.962 5.977 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.338 6.584 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.214 4.850 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.141 4.692 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.277 3.481 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.201 4.369 0.653 1.00 0.00 H new ATOM 945 N ALA A 61 5.031 8.470 2.267 1.00 0.00 N ATOM 946 CA ALA A 61 3.970 9.335 2.751 1.00 0.00 C ATOM 947 C ALA A 61 3.629 10.369 1.675 1.00 0.00 C ATOM 948 O ALA A 61 4.468 10.699 0.839 1.00 0.00 O ATOM 949 CB ALA A 61 4.401 9.985 4.068 1.00 0.00 C ATOM 0 H ALA A 61 5.757 8.945 1.731 1.00 0.00 H new ATOM 0 HA ALA A 61 3.067 8.758 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.604 10.634 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.603 9.210 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.303 10.574 3.905 1.00 0.00 H new ATOM 955 N MET A 62 2.396 10.850 1.732 1.00 0.00 N ATOM 956 CA MET A 62 1.934 11.839 0.773 1.00 0.00 C ATOM 957 C MET A 62 1.869 13.230 1.408 1.00 0.00 C ATOM 958 O MET A 62 1.313 13.395 2.493 1.00 0.00 O ATOM 959 CB MET A 62 0.547 11.446 0.261 1.00 0.00 C ATOM 960 CG MET A 62 0.150 12.291 -0.951 1.00 0.00 C ATOM 961 SD MET A 62 0.380 11.352 -2.451 1.00 0.00 S ATOM 962 CE MET A 62 -0.625 9.924 -2.081 1.00 0.00 C ATOM 0 H MET A 62 1.703 10.573 2.427 1.00 0.00 H new ATOM 0 HA MET A 62 2.641 11.871 -0.056 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.541 10.390 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.188 11.575 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.891 12.602 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.752 13.199 -0.985 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.753 9.326 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.136 9.324 -1.314 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.601 10.249 -1.720 1.00 0.00 H new ATOM 972 N ASP A 63 2.444 14.194 0.705 1.00 0.00 N ATOM 973 CA ASP A 63 2.458 15.565 1.186 1.00 0.00 C ATOM 974 C ASP A 63 1.129 16.237 0.836 1.00 0.00 C ATOM 975 O ASP A 63 0.178 15.569 0.433 1.00 0.00 O ATOM 976 CB ASP A 63 3.582 16.368 0.528 1.00 0.00 C ATOM 977 CG ASP A 63 4.680 16.845 1.480 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.322 17.210 2.621 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.852 16.834 1.046 1.00 0.00 O ATOM 0 H ASP A 63 2.904 14.053 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 63 2.615 15.543 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.038 15.756 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.146 17.237 0.035 1.00 0.00 H new ATOM 984 N THR A 64 1.105 17.551 1.004 1.00 0.00 N ATOM 985 CA THR A 64 -0.092 18.321 0.711 1.00 0.00 C ATOM 986 C THR A 64 -0.171 18.636 -0.784 1.00 0.00 C ATOM 987 O THR A 64 -1.124 19.267 -1.239 1.00 0.00 O ATOM 988 CB THR A 64 -0.079 19.570 1.596 1.00 0.00 C ATOM 989 OG1 THR A 64 0.862 20.433 0.964 1.00 0.00 O ATOM 990 CG2 THR A 64 0.527 19.304 2.975 1.00 0.00 C ATOM 0 H THR A 64 1.895 18.102 1.339 1.00 0.00 H new ATOM 0 HA THR A 64 -0.994 17.753 0.939 1.00 0.00 H new ATOM 0 HB THR A 64 -1.097 19.943 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.932 21.268 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.512 20.222 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.055 18.537 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.556 18.963 2.861 1.00 0.00 H new ATOM 998 N ASP A 65 0.843 18.183 -1.506 1.00 0.00 N ATOM 999 CA ASP A 65 0.900 18.408 -2.940 1.00 0.00 C ATOM 1000 C ASP A 65 0.249 17.228 -3.664 1.00 0.00 C ATOM 1001 O ASP A 65 0.085 17.257 -4.883 1.00 0.00 O ATOM 1002 CB ASP A 65 2.348 18.519 -3.423 1.00 0.00 C ATOM 1003 CG ASP A 65 3.227 19.476 -2.617 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.773 19.880 -1.524 1.00 0.00 O ATOM 1005 OD2 ASP A 65 4.333 19.783 -3.111 1.00 0.00 O ATOM 0 H ASP A 65 1.632 17.661 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 65 0.375 19.339 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.800 17.527 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.344 18.843 -4.464 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.105 16.218 -2.883 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.734 15.030 -3.435 1.00 0.00 C ATOM 1012 C GLY A 66 0.312 14.066 -3.997 1.00 0.00 C ATOM 1013 O GLY A 66 -0.034 13.071 -4.632 1.00 0.00 O ATOM 0 H GLY A 66 0.032 16.198 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.316 14.530 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.431 15.316 -4.223 1.00 0.00 H new ATOM 1017 N LEU A 67 1.570 14.395 -3.743 1.00 0.00 N ATOM 1018 CA LEU A 67 2.669 13.570 -4.216 1.00 0.00 C ATOM 1019 C LEU A 67 3.196 12.718 -3.060 1.00 0.00 C ATOM 1020 O LEU A 67 2.841 12.945 -1.904 1.00 0.00 O ATOM 1021 CB LEU A 67 3.742 14.436 -4.880 1.00 0.00 C ATOM 1022 CG LEU A 67 3.331 15.134 -6.177 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.101 14.466 -6.795 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.116 16.632 -5.950 1.00 0.00 C ATOM 0 H LEU A 67 1.853 15.221 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 67 2.324 12.882 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.060 15.196 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.610 13.810 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 67 4.147 15.030 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.831 14.982 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.326 13.423 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.269 14.516 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.825 17.104 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.329 16.779 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.041 17.082 -5.590 1.00 0.00 H new ATOM 1036 N LEU A 68 4.034 11.753 -3.411 1.00 0.00 N ATOM 1037 CA LEU A 68 4.612 10.866 -2.417 1.00 0.00 C ATOM 1038 C LEU A 68 6.083 11.232 -2.207 1.00 0.00 C ATOM 1039 O LEU A 68 6.789 11.552 -3.162 1.00 0.00 O ATOM 1040 CB LEU A 68 4.394 9.404 -2.812 1.00 0.00 C ATOM 1041 CG LEU A 68 2.938 8.970 -2.998 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.828 7.854 -4.039 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.310 8.572 -1.661 1.00 0.00 C ATOM 0 H LEU A 68 4.326 11.567 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 68 4.111 10.992 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.930 9.216 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.847 8.771 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 68 2.373 9.821 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.783 7.564 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.212 8.209 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.410 6.993 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.276 8.268 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.869 7.742 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.337 9.422 -0.979 1.00 0.00 H new ATOM 1055 N TYR A 69 6.500 11.174 -0.950 1.00 0.00 N ATOM 1056 CA TYR A 69 7.874 11.496 -0.603 1.00 0.00 C ATOM 1057 C TYR A 69 8.359 10.638 0.567 1.00 0.00 C ATOM 1058 O TYR A 69 7.556 10.175 1.377 1.00 0.00 O ATOM 1059 CB TYR A 69 7.867 12.965 -0.174 1.00 0.00 C ATOM 1060 CG TYR A 69 7.180 13.218 1.170 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.745 12.739 2.334 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.996 13.925 1.217 1.00 0.00 C ATOM 1063 CE1 TYR A 69 7.098 12.977 3.599 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.349 14.163 2.482 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.933 13.677 3.610 1.00 0.00 C ATOM 1066 OH TYR A 69 5.322 13.902 4.804 1.00 0.00 O ATOM 0 H TYR A 69 5.911 10.909 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 69 8.537 11.310 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.896 13.321 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.367 13.555 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.672 12.186 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.554 14.300 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.529 12.608 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.422 14.714 2.533 1.00 0.00 H new ATOM 0 HH TYR A 69 4.500 14.415 4.659 1.00 0.00 H new ATOM 1076 N GLY A 70 9.669 10.453 0.620 1.00 0.00 N ATOM 1077 CA GLY A 70 10.271 9.658 1.678 1.00 0.00 C ATOM 1078 C GLY A 70 10.304 10.435 2.996 1.00 0.00 C ATOM 1079 O GLY A 70 11.041 11.411 3.127 1.00 0.00 O ATOM 0 H GLY A 70 10.331 10.840 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.707 8.735 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.284 9.375 1.393 1.00 0.00 H new ATOM 1083 N SER A 71 9.495 9.972 3.938 1.00 0.00 N ATOM 1084 CA SER A 71 9.422 10.611 5.241 1.00 0.00 C ATOM 1085 C SER A 71 10.510 10.051 6.160 1.00 0.00 C ATOM 1086 O SER A 71 10.675 8.836 6.263 1.00 0.00 O ATOM 1087 CB SER A 71 8.042 10.419 5.873 1.00 0.00 C ATOM 1088 OG SER A 71 7.145 9.739 4.998 1.00 0.00 O ATOM 0 H SER A 71 8.885 9.162 3.825 1.00 0.00 H new ATOM 0 HA SER A 71 9.584 11.681 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.143 9.854 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.625 11.391 6.136 1.00 0.00 H new ATOM 0 HG SER A 71 6.565 9.146 5.520 1.00 0.00 H new ATOM 1094 N GLN A 72 11.222 10.963 6.805 1.00 0.00 N ATOM 1095 CA GLN A 72 12.289 10.575 7.712 1.00 0.00 C ATOM 1096 C GLN A 72 11.705 9.982 8.996 1.00 0.00 C ATOM 1097 O GLN A 72 12.087 8.888 9.408 1.00 0.00 O ATOM 1098 CB GLN A 72 13.203 11.762 8.024 1.00 0.00 C ATOM 1099 CG GLN A 72 14.436 11.313 8.810 1.00 0.00 C ATOM 1100 CD GLN A 72 15.677 12.099 8.380 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.721 13.317 8.434 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.679 11.336 7.952 1.00 0.00 N ATOM 0 H GLN A 72 11.081 11.969 6.718 1.00 0.00 H new ATOM 0 HA GLN A 72 12.894 9.811 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.514 12.240 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.653 12.508 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.263 11.455 9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.604 10.247 8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.575 10.321 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.551 11.765 7.643 1.00 0.00 H new ATOM 1111 N THR A 73 10.788 10.730 9.592 1.00 0.00 N ATOM 1112 CA THR A 73 10.147 10.291 10.820 1.00 0.00 C ATOM 1113 C THR A 73 8.779 9.676 10.517 1.00 0.00 C ATOM 1114 O THR A 73 8.175 9.971 9.487 1.00 0.00 O ATOM 1115 CB THR A 73 10.078 11.488 11.770 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.559 12.543 10.964 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.463 11.985 12.188 1.00 0.00 C ATOM 0 H THR A 73 10.474 11.637 9.247 1.00 0.00 H new ATOM 0 HA THR A 73 10.722 9.503 11.307 1.00 0.00 H new ATOM 0 HB THR A 73 9.508 11.213 12.658 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.480 13.358 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.356 12.835 12.862 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.999 11.184 12.697 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.022 12.291 11.304 1.00 0.00 H new ATOM 1125 N PRO A 74 8.318 8.809 11.458 1.00 0.00 N ATOM 1126 CA PRO A 74 7.033 8.149 11.303 1.00 0.00 C ATOM 1127 C PRO A 74 5.882 9.118 11.582 1.00 0.00 C ATOM 1128 O PRO A 74 5.727 9.596 12.705 1.00 0.00 O ATOM 1129 CB PRO A 74 7.072 6.979 12.271 1.00 0.00 C ATOM 1130 CG PRO A 74 8.180 7.294 13.263 1.00 0.00 C ATOM 1131 CD PRO A 74 9.006 8.435 12.691 1.00 0.00 C ATOM 0 HA PRO A 74 6.859 7.800 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.115 6.861 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.272 6.045 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.760 7.574 14.229 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.805 6.416 13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.058 9.273 13.386 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.031 8.121 12.493 1.00 0.00 H new ATOM 1139 N ASN A 75 5.104 9.379 10.541 1.00 0.00 N ATOM 1140 CA ASN A 75 3.972 10.282 10.661 1.00 0.00 C ATOM 1141 C ASN A 75 2.712 9.583 10.148 1.00 0.00 C ATOM 1142 O ASN A 75 2.790 8.706 9.288 1.00 0.00 O ATOM 1143 CB ASN A 75 4.186 11.545 9.825 1.00 0.00 C ATOM 1144 CG ASN A 75 5.142 12.512 10.526 1.00 0.00 C ATOM 1145 OD1 ASN A 75 4.835 13.093 11.554 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.315 12.651 9.915 1.00 0.00 N ATOM 0 H ASN A 75 5.236 8.981 9.611 1.00 0.00 H new ATOM 0 HA ASN A 75 3.868 10.557 11.711 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.588 11.275 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.229 12.037 9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.022 13.274 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.507 12.135 9.057 1.00 0.00 H new ATOM 1153 N GLU A 76 1.579 9.997 10.697 1.00 0.00 N ATOM 1154 CA GLU A 76 0.304 9.421 10.306 1.00 0.00 C ATOM 1155 C GLU A 76 0.211 9.321 8.782 1.00 0.00 C ATOM 1156 O GLU A 76 -0.435 8.418 8.254 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.862 10.234 10.874 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.226 9.759 12.282 1.00 0.00 C ATOM 1159 CD GLU A 76 -2.072 10.805 13.011 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -1.506 11.873 13.328 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -3.267 10.512 13.234 1.00 0.00 O ATOM 0 H GLU A 76 1.518 10.724 11.409 1.00 0.00 H new ATOM 0 HA GLU A 76 0.240 8.415 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.595 11.290 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.728 10.141 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.775 8.819 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.317 9.561 12.850 1.00 0.00 H new ATOM 1168 N GLU A 77 0.867 10.262 8.119 1.00 0.00 N ATOM 1169 CA GLU A 77 0.867 10.291 6.666 1.00 0.00 C ATOM 1170 C GLU A 77 1.446 8.989 6.109 1.00 0.00 C ATOM 1171 O GLU A 77 1.035 8.529 5.044 1.00 0.00 O ATOM 1172 CB GLU A 77 1.640 11.503 6.142 1.00 0.00 C ATOM 1173 CG GLU A 77 1.012 12.809 6.634 1.00 0.00 C ATOM 1174 CD GLU A 77 1.706 14.021 6.010 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.651 14.128 4.766 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.276 14.813 6.791 1.00 0.00 O ATOM 0 H GLU A 77 1.402 11.010 8.561 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.164 10.383 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.677 11.447 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.651 11.488 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.049 12.824 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.083 12.864 7.720 1.00 0.00 H new ATOM 1183 N CYS A 78 2.390 8.433 6.853 1.00 0.00 N ATOM 1184 CA CYS A 78 3.030 7.193 6.446 1.00 0.00 C ATOM 1185 C CYS A 78 2.030 6.051 6.639 1.00 0.00 C ATOM 1186 O CYS A 78 2.202 4.969 6.080 1.00 0.00 O ATOM 1187 CB CYS A 78 4.330 6.949 7.215 1.00 0.00 C ATOM 1188 SG CYS A 78 5.463 8.369 6.996 1.00 0.00 S ATOM 0 H CYS A 78 2.728 8.818 7.735 1.00 0.00 H new ATOM 0 HA CYS A 78 3.312 7.254 5.395 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.114 6.805 8.274 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.806 6.035 6.860 1.00 0.00 H new ATOM 0 HG CYS A 78 4.896 9.450 7.445 1.00 0.00 H new ATOM 1194 N LEU A 79 1.006 6.331 7.433 1.00 0.00 N ATOM 1195 CA LEU A 79 -0.021 5.341 7.707 1.00 0.00 C ATOM 1196 C LEU A 79 -1.140 5.474 6.672 1.00 0.00 C ATOM 1197 O LEU A 79 -1.794 6.512 6.590 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.505 5.456 9.154 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.257 4.245 9.708 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.738 2.946 9.087 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.194 4.213 11.237 1.00 0.00 C ATOM 0 H LEU A 79 0.866 7.230 7.895 1.00 0.00 H new ATOM 0 HA LEU A 79 0.385 4.334 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.359 5.645 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.154 6.328 9.231 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.307 4.339 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.289 2.100 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.876 2.979 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.322 2.832 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.736 3.342 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.154 4.155 11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.647 5.119 11.639 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.326 4.408 5.908 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.355 4.392 4.881 1.00 0.00 C ATOM 1215 C PHE A 80 -3.384 3.294 5.153 1.00 0.00 C ATOM 1216 O PHE A 80 -3.137 2.390 5.950 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.656 4.102 3.552 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.841 5.278 3.008 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.289 5.678 3.650 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.248 5.923 1.881 1.00 0.00 C ATOM 1221 CE1 PHE A 80 1.044 6.769 3.145 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.492 7.014 1.376 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.638 7.414 2.019 1.00 0.00 C ATOM 0 H PHE A 80 -0.782 3.548 5.979 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.879 5.348 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.996 3.244 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.406 3.820 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.612 5.166 4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.145 5.605 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.941 7.087 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.814 7.526 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.213 8.244 1.635 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.517 3.408 4.476 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.585 2.435 4.634 1.00 0.00 C ATOM 1235 C LEU A 81 -5.610 1.509 3.416 1.00 0.00 C ATOM 1236 O LEU A 81 -5.662 1.976 2.279 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.917 3.140 4.899 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.909 4.192 6.010 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -7.923 5.301 5.722 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -7.139 3.546 7.378 1.00 0.00 C ATOM 0 H LEU A 81 -4.719 4.159 3.817 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.404 1.808 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.242 3.618 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.663 2.384 5.147 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.923 4.656 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.897 6.036 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.673 5.787 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.923 4.872 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.129 4.315 8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.104 3.039 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.348 2.822 7.576 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.573 0.215 3.695 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.591 -0.780 2.636 1.00 0.00 C ATOM 1254 C GLU A 82 -6.938 -1.506 2.614 1.00 0.00 C ATOM 1255 O GLU A 82 -7.570 -1.683 3.655 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.436 -1.771 2.795 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.615 -2.975 1.868 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.422 -4.079 2.553 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.071 -4.406 3.708 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.372 -4.573 1.907 1.00 0.00 O ATOM 0 H GLU A 82 -5.531 -0.168 4.639 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.459 -0.270 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.492 -1.273 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.382 -2.109 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.121 -2.663 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.639 -3.361 1.575 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.337 -1.909 1.417 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.597 -2.612 1.245 1.00 0.00 C ATOM 1269 C ARG A 83 -8.525 -3.543 0.033 1.00 0.00 C ATOM 1270 O ARG A 83 -7.605 -3.441 -0.778 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.755 -1.630 1.057 1.00 0.00 C ATOM 1272 CG ARG A 83 -11.038 -2.166 1.696 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.225 -2.029 0.741 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.332 -1.310 1.409 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.401 -0.815 0.770 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.514 -0.959 -0.557 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.358 -0.177 1.458 1.00 0.00 N ATOM 0 H ARG A 83 -6.810 -1.762 0.556 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.775 -3.198 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.497 -0.669 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.920 -1.455 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.904 -3.213 1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.244 -1.622 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.920 -1.491 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.561 -3.016 0.422 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.278 -1.183 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.786 -1.445 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.328 -0.582 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.273 -0.068 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.171 0.200 0.971 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.506 -4.428 -0.053 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.565 -5.376 -1.152 1.00 0.00 C ATOM 1293 C LEU A 84 -10.482 -4.825 -2.247 1.00 0.00 C ATOM 1294 O LEU A 84 -11.655 -4.550 -1.999 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.977 -6.760 -0.646 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.558 -7.945 -1.518 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.174 -7.843 -2.914 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.034 -8.075 -1.571 1.00 0.00 C ATOM 0 H LEU A 84 -10.267 -4.509 0.621 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.578 -5.505 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.557 -6.901 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.062 -6.778 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.943 -8.857 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.860 -8.698 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.261 -7.836 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.840 -6.922 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.763 -8.925 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.606 -7.164 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.647 -8.228 -0.564 1.00 0.00 H new ATOM 1310 N GLU A 85 -9.912 -4.679 -3.434 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.663 -4.165 -4.566 1.00 0.00 C ATOM 1312 C GLU A 85 -10.852 -5.260 -5.618 1.00 0.00 C ATOM 1313 O GLU A 85 -10.134 -6.259 -5.616 1.00 0.00 O ATOM 1314 CB GLU A 85 -9.975 -2.939 -5.169 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.241 -1.691 -4.326 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.074 -0.670 -5.104 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.609 -0.272 -6.194 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -12.156 -0.310 -4.592 1.00 0.00 O ATOM 0 H GLU A 85 -8.939 -4.908 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.646 -3.853 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.901 -3.116 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.335 -2.779 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.764 -1.971 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.294 -1.241 -4.027 1.00 0.00 H new ATOM 1325 N GLU A 86 -11.822 -5.035 -6.492 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.115 -5.990 -7.548 1.00 0.00 C ATOM 1327 C GLU A 86 -10.920 -6.117 -8.495 1.00 0.00 C ATOM 1328 O GLU A 86 -9.931 -5.400 -8.352 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.380 -5.594 -8.310 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.617 -6.260 -7.704 1.00 0.00 C ATOM 1331 CD GLU A 86 -15.858 -5.991 -8.557 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -15.915 -6.558 -9.670 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.722 -5.225 -8.078 1.00 0.00 O ATOM 0 H GLU A 86 -12.415 -4.205 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.296 -6.963 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.498 -4.511 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.283 -5.882 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.453 -7.335 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.778 -5.885 -6.693 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.051 -7.034 -9.443 1.00 0.00 N ATOM 1341 CA ASN A 87 -9.995 -7.263 -10.414 1.00 0.00 C ATOM 1342 C ASN A 87 -8.745 -7.768 -9.691 1.00 0.00 C ATOM 1343 O ASN A 87 -7.659 -7.795 -10.268 1.00 0.00 O ATOM 1344 CB ASN A 87 -9.629 -5.970 -11.145 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.859 -5.347 -11.808 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.952 -5.889 -11.781 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.621 -4.182 -12.403 1.00 0.00 N ATOM 0 H ASN A 87 -11.873 -7.627 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.354 -7.996 -11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.193 -5.261 -10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.870 -6.177 -11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.378 -3.686 -12.874 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.682 -3.784 -12.388 1.00 0.00 H new ATOM 1354 N HIS A 88 -8.940 -8.156 -8.439 1.00 0.00 N ATOM 1355 CA HIS A 88 -7.841 -8.659 -7.632 1.00 0.00 C ATOM 1356 C HIS A 88 -6.765 -7.579 -7.500 1.00 0.00 C ATOM 1357 O HIS A 88 -5.642 -7.756 -7.968 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.299 -9.969 -8.207 1.00 0.00 C ATOM 1359 CG HIS A 88 -6.958 -11.004 -7.162 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -7.903 -11.546 -6.308 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -5.769 -11.590 -6.843 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -7.298 -12.418 -5.514 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -5.975 -12.443 -5.847 1.00 0.00 N ATOM 0 H HIS A 88 -9.842 -8.132 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.199 -8.891 -6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.038 -10.387 -8.890 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.407 -9.754 -8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.820 -11.393 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.769 -13.005 -4.740 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.262 -13.022 -5.404 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.147 -6.484 -6.859 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.229 -5.375 -6.660 1.00 0.00 C ATOM 1373 C TYR A 89 -6.441 -4.728 -5.290 1.00 0.00 C ATOM 1374 O TYR A 89 -7.540 -4.774 -4.741 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.558 -4.353 -7.750 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.818 -4.590 -9.068 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.485 -4.947 -9.056 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.483 -4.445 -10.268 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.789 -5.169 -10.297 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -5.787 -4.667 -11.509 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.474 -5.018 -11.462 1.00 0.00 C ATOM 1382 OH TYR A 89 -3.816 -5.228 -12.634 1.00 0.00 O ATOM 0 H TYR A 89 -8.079 -6.341 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.196 -5.719 -6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.631 -4.372 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.316 -3.355 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.964 -5.060 -8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.526 -4.165 -10.277 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.746 -5.449 -10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.296 -4.557 -12.455 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.430 -5.085 -13.384 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.370 -4.139 -4.777 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.425 -3.483 -3.482 1.00 0.00 C ATOM 1394 C ASN A 90 -5.225 -1.978 -3.668 1.00 0.00 C ATOM 1395 O ASN A 90 -4.621 -1.545 -4.649 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.318 -3.996 -2.557 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.285 -5.526 -2.538 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.232 -6.184 -3.564 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.320 -6.052 -1.317 1.00 0.00 N ATOM 0 H ASN A 90 -4.459 -4.103 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.396 -3.698 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.354 -3.612 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.480 -3.620 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.303 -7.065 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.364 -5.443 -0.500 1.00 0.00 H new ATOM 1406 N THR A 91 -5.743 -1.222 -2.712 1.00 0.00 N ATOM 1407 CA THR A 91 -5.629 0.226 -2.759 1.00 0.00 C ATOM 1408 C THR A 91 -5.035 0.757 -1.453 1.00 0.00 C ATOM 1409 O THR A 91 -5.011 0.051 -0.446 1.00 0.00 O ATOM 1410 CB THR A 91 -7.012 0.799 -3.074 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.870 0.184 -2.117 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.552 0.318 -4.422 1.00 0.00 C ATOM 0 H THR A 91 -6.243 -1.584 -1.900 1.00 0.00 H new ATOM 0 HA THR A 91 -4.943 0.543 -3.544 1.00 0.00 H new ATOM 0 HB THR A 91 -6.962 1.888 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.788 0.501 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.536 0.754 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.873 0.626 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.633 -0.769 -4.415 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.569 1.996 -1.512 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.977 2.629 -0.347 1.00 0.00 C ATOM 1422 C TYR A 92 -4.352 4.111 -0.277 1.00 0.00 C ATOM 1423 O TYR A 92 -4.264 4.825 -1.275 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.462 2.507 -0.525 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.966 1.067 -0.662 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.201 0.156 0.348 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.283 0.677 -1.796 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.734 -1.200 0.219 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.816 -0.679 -1.925 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.064 -1.550 -0.911 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.623 -2.831 -1.033 1.00 0.00 O ATOM 0 H TYR A 92 -4.590 2.578 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.331 2.154 0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.164 3.069 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.968 2.971 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.736 0.460 1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.099 1.389 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.912 -1.922 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.281 -0.997 -2.807 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.381 -3.006 -1.966 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.763 4.529 0.911 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.152 5.913 1.124 1.00 0.00 C ATOM 1443 C ILE A 93 -4.578 6.400 2.456 1.00 0.00 C ATOM 1444 O ILE A 93 -4.586 5.668 3.444 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.671 6.065 1.016 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.152 5.768 -0.406 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.119 7.446 1.497 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.621 5.341 -0.410 1.00 0.00 C ATOM 0 H ILE A 93 -4.835 3.934 1.736 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.735 6.551 0.345 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.136 5.330 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.025 6.653 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.539 4.980 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.202 7.528 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.828 7.581 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.647 8.215 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.938 5.136 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.740 4.441 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.234 6.141 0.006 1.00 0.00 H new ATOM 1460 N SER A 94 -4.095 7.634 2.439 1.00 0.00 N ATOM 1461 CA SER A 94 -3.518 8.228 3.633 1.00 0.00 C ATOM 1462 C SER A 94 -4.578 8.325 4.733 1.00 0.00 C ATOM 1463 O SER A 94 -5.724 8.681 4.465 1.00 0.00 O ATOM 1464 CB SER A 94 -2.935 9.610 3.334 1.00 0.00 C ATOM 1465 OG SER A 94 -1.890 9.956 4.240 1.00 0.00 O ATOM 0 H SER A 94 -4.091 8.238 1.617 1.00 0.00 H new ATOM 0 HA SER A 94 -2.705 7.588 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.551 9.629 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.726 10.357 3.391 1.00 0.00 H new ATOM 0 HG SER A 94 -1.543 10.844 4.015 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.156 8.003 5.947 1.00 0.00 N ATOM 1472 CA LYS A 95 -5.054 8.050 7.088 1.00 0.00 C ATOM 1473 C LYS A 95 -5.312 9.509 7.469 1.00 0.00 C ATOM 1474 O LYS A 95 -6.459 9.914 7.652 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.505 7.202 8.237 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.294 7.448 9.525 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.541 6.904 10.741 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.512 6.331 11.776 1.00 0.00 C ATOM 1479 NZ LYS A 95 -4.771 5.774 12.929 1.00 0.00 N ATOM 0 H LYS A 95 -3.204 7.709 6.165 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.019 7.612 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.556 6.146 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.454 7.440 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.470 8.516 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.271 6.970 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.843 6.129 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.950 7.700 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.192 7.112 12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.123 5.553 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.398 5.735 13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.441 4.815 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.953 6.380 13.142 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.225 10.260 7.577 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.319 11.666 7.933 1.00 0.00 C ATOM 1495 C LYS A 96 -5.081 12.415 6.837 1.00 0.00 C ATOM 1496 O LYS A 96 -5.715 13.435 7.103 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.931 12.240 8.220 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.840 12.767 9.653 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.806 13.890 9.760 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.691 14.393 11.201 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.269 14.510 11.596 1.00 0.00 N ATOM 0 H LYS A 96 -3.275 9.921 7.424 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.885 11.789 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.176 11.470 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.715 13.046 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.815 13.134 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.570 11.954 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.836 13.530 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.089 14.714 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.182 15.362 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.207 13.708 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.208 14.852 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.189 13.579 11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.213 15.181 10.964 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.993 11.880 5.628 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.665 12.485 4.491 1.00 0.00 C ATOM 1517 C HIS A 97 -6.639 11.479 3.876 1.00 0.00 C ATOM 1518 O HIS A 97 -6.787 11.419 2.656 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.649 13.021 3.481 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.430 13.651 4.111 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.926 14.876 3.710 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.620 13.214 5.118 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -1.861 15.153 4.448 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -1.673 14.121 5.319 1.00 0.00 N ATOM 0 H HIS A 97 -4.466 11.034 5.411 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.247 13.345 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.330 12.204 2.834 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.139 13.758 2.845 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.309 15.466 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.731 12.286 5.660 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.250 16.040 4.373 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.278 10.713 4.748 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.234 9.712 4.306 1.00 0.00 C ATOM 1534 C ALA A 98 -9.443 10.409 3.680 1.00 0.00 C ATOM 1535 O ALA A 98 -9.924 9.997 2.625 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.622 8.819 5.486 1.00 0.00 C ATOM 0 H ALA A 98 -7.152 10.765 5.759 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.792 9.070 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.339 8.068 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.732 8.324 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.071 9.428 6.271 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.899 11.453 4.356 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.043 12.212 3.879 1.00 0.00 C ATOM 1544 C GLU A 99 -10.672 12.997 2.620 1.00 0.00 C ATOM 1545 O GLU A 99 -11.545 13.525 1.933 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.576 13.143 4.969 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.692 12.468 5.770 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.557 13.506 6.487 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.981 14.260 7.301 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.775 13.522 6.206 1.00 0.00 O ATOM 0 H GLU A 99 -9.497 11.791 5.230 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.839 11.512 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.764 13.427 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.952 14.061 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.313 11.870 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.258 11.784 6.500 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.374 13.051 2.355 1.00 0.00 N ATOM 1558 CA LYS A 100 -8.877 13.763 1.191 1.00 0.00 C ATOM 1559 C LYS A 100 -8.975 12.857 -0.037 1.00 0.00 C ATOM 1560 O LYS A 100 -8.780 13.309 -1.164 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.466 14.295 1.451 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.437 15.189 2.693 1.00 0.00 C ATOM 1563 CD LYS A 100 -6.904 16.582 2.353 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.125 17.173 3.529 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.531 18.477 3.156 1.00 0.00 N ATOM 0 H LYS A 100 -8.652 12.613 2.927 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.492 14.640 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.777 13.460 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.121 14.859 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.441 15.271 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.810 14.733 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.258 16.524 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.734 17.240 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.788 17.300 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.339 16.483 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.006 18.864 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.882 18.346 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.287 19.138 2.886 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.278 11.593 0.223 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.405 10.619 -0.848 1.00 0.00 C ATOM 1581 C ASN A 101 -8.179 10.706 -1.759 1.00 0.00 C ATOM 1582 O ASN A 101 -8.299 11.045 -2.936 1.00 0.00 O ATOM 1583 CB ASN A 101 -10.647 10.893 -1.698 1.00 0.00 C ATOM 1584 CG ASN A 101 -11.734 11.587 -0.874 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.174 11.101 0.155 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.140 12.747 -1.382 1.00 0.00 N ATOM 0 H ASN A 101 -9.439 11.221 1.159 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.489 9.631 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.378 11.517 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.032 9.955 -2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.862 13.288 -0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.729 13.096 -2.248 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.029 10.394 -1.181 1.00 0.00 N ATOM 1594 CA TRP A 102 -5.782 10.433 -1.927 1.00 0.00 C ATOM 1595 C TRP A 102 -5.264 8.999 -2.058 1.00 0.00 C ATOM 1596 O TRP A 102 -5.218 8.260 -1.075 1.00 0.00 O ATOM 1597 CB TRP A 102 -4.775 11.374 -1.262 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.182 12.848 -1.300 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.264 13.391 -1.876 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.465 13.954 -0.711 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.296 14.760 -1.702 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.167 15.113 -0.972 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.263 13.974 0.017 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -4.748 16.377 -0.540 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -2.857 15.245 0.441 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -3.553 16.421 0.188 1.00 0.00 C ATOM 0 H TRP A 102 -6.934 10.113 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 102 -5.943 10.837 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -4.641 11.071 -0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -3.809 11.262 -1.754 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.016 12.828 -2.409 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.016 15.396 -2.046 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.697 13.080 0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.316 17.270 -0.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -1.938 15.317 1.004 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.174 17.365 0.551 1.00 0.00 H new ATOM 1617 N PHE A 103 -4.888 8.649 -3.279 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.375 7.317 -3.551 1.00 0.00 C ATOM 1619 C PHE A 103 -2.903 7.370 -3.965 1.00 0.00 C ATOM 1620 O PHE A 103 -2.459 8.346 -4.566 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.199 6.749 -4.708 1.00 0.00 C ATOM 1622 CG PHE A 103 -6.679 6.545 -4.378 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.541 7.594 -4.446 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.132 5.315 -4.017 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -8.915 7.405 -4.140 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -8.505 5.125 -3.711 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.368 6.175 -3.779 1.00 0.00 C ATOM 0 H PHE A 103 -4.928 9.265 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.450 6.699 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.117 7.421 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -4.770 5.794 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.181 8.571 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.447 4.482 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.600 8.238 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.865 4.148 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.413 6.031 -3.546 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.188 6.307 -3.626 1.00 0.00 N ATOM 1638 CA VAL A 104 -0.776 6.221 -3.956 1.00 0.00 C ATOM 1639 C VAL A 104 -0.622 5.920 -5.448 1.00 0.00 C ATOM 1640 O VAL A 104 0.424 6.193 -6.035 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.093 5.182 -3.063 1.00 0.00 C ATOM 1642 CG1 VAL A 104 1.264 4.772 -3.638 1.00 0.00 C ATOM 1643 CG2 VAL A 104 0.053 5.700 -1.631 1.00 0.00 C ATOM 0 H VAL A 104 -2.560 5.499 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.280 7.173 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.727 4.296 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.728 4.033 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.124 4.342 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.908 5.648 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.541 4.942 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.655 6.609 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.933 5.919 -1.221 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.679 5.362 -6.019 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.675 5.021 -7.431 1.00 0.00 C ATOM 1655 C GLY A 105 -0.834 6.017 -8.233 1.00 0.00 C ATOM 1656 O GLY A 105 -0.758 7.194 -7.883 1.00 0.00 O ATOM 0 H GLY A 105 -2.545 5.137 -5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.279 4.014 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.697 5.014 -7.810 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.222 5.508 -9.292 1.00 0.00 N ATOM 1661 CA LEU A 106 0.610 6.338 -10.146 1.00 0.00 C ATOM 1662 C LEU A 106 -0.114 6.587 -11.470 1.00 0.00 C ATOM 1663 O LEU A 106 -0.952 5.788 -11.884 1.00 0.00 O ATOM 1664 CB LEU A 106 1.997 5.713 -10.312 1.00 0.00 C ATOM 1665 CG LEU A 106 2.615 5.105 -9.051 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.462 3.878 -9.392 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.411 6.153 -8.271 1.00 0.00 C ATOM 0 H LEU A 106 -0.286 4.531 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 106 0.777 7.312 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.934 4.935 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.675 6.477 -10.692 1.00 0.00 H new ATOM 0 HG LEU A 106 1.806 4.767 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.889 3.466 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.836 3.126 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.265 4.167 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.840 5.695 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.212 6.543 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.750 6.968 -7.978 1.00 0.00 H new ATOM 1679 N LYS A 107 0.235 7.701 -12.098 1.00 0.00 N ATOM 1680 CA LYS A 107 -0.371 8.066 -13.367 1.00 0.00 C ATOM 1681 C LYS A 107 -0.067 6.982 -14.403 1.00 0.00 C ATOM 1682 O LYS A 107 0.335 5.875 -14.049 1.00 0.00 O ATOM 1683 CB LYS A 107 0.077 9.466 -13.792 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.322 10.510 -12.747 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.380 11.909 -13.364 1.00 0.00 C ATOM 1686 CE LYS A 107 -0.498 12.981 -12.279 1.00 0.00 C ATOM 1687 NZ LYS A 107 -1.910 13.154 -11.872 1.00 0.00 N ATOM 0 H LYS A 107 0.930 8.362 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.455 8.119 -13.270 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.158 9.479 -13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.371 9.719 -14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.294 10.254 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.395 10.500 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.516 12.086 -13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.231 11.977 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.104 12.700 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.102 13.927 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.176 14.156 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.521 12.579 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.027 12.849 -10.885 1.00 0.00 H new ATOM 1701 N LYS A 108 -0.271 7.339 -15.663 1.00 0.00 N ATOM 1702 CA LYS A 108 -0.024 6.410 -16.753 1.00 0.00 C ATOM 1703 C LYS A 108 1.222 6.854 -17.522 1.00 0.00 C ATOM 1704 O LYS A 108 1.687 6.150 -18.418 1.00 0.00 O ATOM 1705 CB LYS A 108 -1.270 6.270 -17.630 1.00 0.00 C ATOM 1706 CG LYS A 108 -1.604 4.797 -17.876 1.00 0.00 C ATOM 1707 CD LYS A 108 -1.509 4.455 -19.364 1.00 0.00 C ATOM 1708 CE LYS A 108 -2.691 5.043 -20.138 1.00 0.00 C ATOM 1709 NZ LYS A 108 -3.028 4.187 -21.298 1.00 0.00 N ATOM 0 H LYS A 108 -0.604 8.258 -15.953 1.00 0.00 H new ATOM 0 HA LYS A 108 0.178 5.412 -16.365 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.115 6.763 -17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.107 6.774 -18.583 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.919 4.166 -17.310 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.609 4.583 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.575 4.842 -19.771 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.488 3.373 -19.492 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.556 5.132 -19.481 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.446 6.049 -20.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.832 4.600 -21.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.207 4.123 -21.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.282 3.235 -20.965 1.00 0.00 H new ATOM 1723 N ASN A 109 1.729 8.018 -17.144 1.00 0.00 N ATOM 1724 CA ASN A 109 2.912 8.564 -17.787 1.00 0.00 C ATOM 1725 C ASN A 109 4.156 8.132 -17.008 1.00 0.00 C ATOM 1726 O ASN A 109 5.267 8.556 -17.320 1.00 0.00 O ATOM 1727 CB ASN A 109 2.874 10.093 -17.806 1.00 0.00 C ATOM 1728 CG ASN A 109 3.014 10.628 -19.232 1.00 0.00 C ATOM 1729 OD1 ASN A 109 2.766 9.939 -20.208 1.00 0.00 O ATOM 1730 ND2 ASN A 109 3.425 11.891 -19.298 1.00 0.00 N ATOM 0 H ASN A 109 1.342 8.599 -16.400 1.00 0.00 H new ATOM 0 HA ASN A 109 2.940 8.192 -18.811 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.936 10.442 -17.373 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.678 10.488 -17.185 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.550 12.340 -20.205 1.00 0.00 H new ATOM 0 HD22 ASN A 109 3.615 12.411 -18.441 1.00 0.00 H new ATOM 1737 N GLY A 110 3.926 7.293 -16.008 1.00 0.00 N ATOM 1738 CA GLY A 110 5.014 6.799 -15.181 1.00 0.00 C ATOM 1739 C GLY A 110 5.346 7.789 -14.062 1.00 0.00 C ATOM 1740 O GLY A 110 6.498 7.895 -13.644 1.00 0.00 O ATOM 0 H GLY A 110 3.003 6.943 -15.752 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.740 5.836 -14.750 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.897 6.632 -15.798 1.00 0.00 H new ATOM 1744 N SER A 111 4.316 8.488 -13.610 1.00 0.00 N ATOM 1745 CA SER A 111 4.484 9.466 -12.548 1.00 0.00 C ATOM 1746 C SER A 111 3.444 9.230 -11.450 1.00 0.00 C ATOM 1747 O SER A 111 2.493 8.475 -11.644 1.00 0.00 O ATOM 1748 CB SER A 111 4.369 10.892 -13.089 1.00 0.00 C ATOM 1749 OG SER A 111 3.072 11.161 -13.616 1.00 0.00 O ATOM 0 H SER A 111 3.362 8.397 -13.959 1.00 0.00 H new ATOM 0 HA SER A 111 5.482 9.345 -12.127 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.590 11.601 -12.291 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.116 11.045 -13.868 1.00 0.00 H new ATOM 0 HG SER A 111 3.039 12.082 -13.950 1.00 0.00 H new ATOM 1755 N CYS A 112 3.662 9.889 -10.322 1.00 0.00 N ATOM 1756 CA CYS A 112 2.756 9.760 -9.193 1.00 0.00 C ATOM 1757 C CYS A 112 1.500 10.582 -9.489 1.00 0.00 C ATOM 1758 O CYS A 112 1.592 11.715 -9.959 1.00 0.00 O ATOM 1759 CB CYS A 112 3.421 10.186 -7.883 1.00 0.00 C ATOM 1760 SG CYS A 112 4.115 11.871 -8.051 1.00 0.00 S ATOM 0 H CYS A 112 4.453 10.514 -10.165 1.00 0.00 H new ATOM 0 HA CYS A 112 2.482 8.713 -9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.693 10.163 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.212 9.483 -7.622 1.00 0.00 H new ATOM 0 HG CYS A 112 3.415 12.545 -8.915 1.00 0.00 H new ATOM 1766 N LYS A 113 0.356 9.978 -9.202 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.917 10.640 -9.431 1.00 0.00 C ATOM 1768 C LYS A 113 -1.313 11.424 -8.178 1.00 0.00 C ATOM 1769 O LYS A 113 -1.570 10.836 -7.129 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.973 9.629 -9.883 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.209 10.338 -10.440 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.359 9.352 -10.650 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.701 9.216 -12.135 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.417 10.419 -12.614 1.00 0.00 N ATOM 0 H LYS A 113 0.284 9.038 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.830 11.361 -10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.551 8.974 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.260 8.997 -9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.521 11.125 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.961 10.820 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.086 8.377 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.237 9.690 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.788 9.075 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.318 8.331 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.090 10.659 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.439 10.229 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.225 11.215 -11.973 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.349 12.740 -8.329 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.709 13.611 -7.223 1.00 0.00 C ATOM 1790 C ARG A 114 -2.837 12.985 -6.401 1.00 0.00 C ATOM 1791 O ARG A 114 -3.838 12.533 -6.956 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.155 14.985 -7.727 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.038 16.018 -7.563 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.398 16.351 -8.913 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.123 17.470 -9.554 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.808 17.981 -10.752 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.221 17.476 -11.446 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.522 18.997 -11.256 1.00 0.00 N ATOM 0 H ARG A 114 -1.135 13.224 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.825 13.736 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.440 14.916 -8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.039 15.309 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.440 16.926 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.279 15.634 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.649 16.618 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.419 15.475 -9.561 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.912 17.878 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.764 16.703 -11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.461 17.865 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.305 19.381 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.282 19.386 -12.168 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.639 12.979 -5.091 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.627 12.417 -4.187 1.00 0.00 C ATOM 1814 C GLY A 115 -5.009 13.024 -4.438 1.00 0.00 C ATOM 1815 O GLY A 115 -5.997 12.301 -4.556 1.00 0.00 O ATOM 0 H GLY A 115 -1.808 13.355 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.672 11.336 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.327 12.601 -3.155 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.034 14.382 -4.515 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.278 15.095 -4.750 1.00 0.00 C ATOM 1821 C PRO A 116 -6.714 14.969 -6.212 1.00 0.00 C ATOM 1822 O PRO A 116 -7.686 15.597 -6.629 1.00 0.00 O ATOM 1823 CB PRO A 116 -5.994 16.529 -4.336 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.480 16.668 -4.326 1.00 0.00 C ATOM 1825 CD PRO A 116 -3.884 15.271 -4.380 1.00 0.00 C ATOM 0 HA PRO A 116 -7.111 14.688 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.446 17.234 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.412 16.742 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.145 17.259 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.150 17.189 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.200 15.165 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.315 15.048 -3.477 1.00 0.00 H new ATOM 1833 N ARG A 117 -5.974 14.154 -6.949 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.272 13.939 -8.354 1.00 0.00 C ATOM 1835 C ARG A 117 -6.655 12.478 -8.598 1.00 0.00 C ATOM 1836 O ARG A 117 -6.799 12.052 -9.743 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.072 14.297 -9.233 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.966 15.811 -9.427 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.233 16.197 -10.883 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.798 17.591 -11.125 1.00 0.00 N ATOM 1841 CZ ARG A 117 -4.954 18.235 -12.289 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -5.536 17.616 -13.325 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -4.528 19.499 -12.418 1.00 0.00 N ATOM 0 H ARG A 117 -5.169 13.635 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.108 14.587 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.157 13.920 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.168 13.808 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.680 16.316 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.973 16.150 -9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.700 15.520 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.295 16.095 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.351 18.093 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.861 16.654 -13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.655 18.107 -14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.085 19.971 -11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.647 19.989 -13.305 1.00 0.00 H new ATOM 1857 N THR A 118 -6.811 11.750 -7.502 1.00 0.00 N ATOM 1858 CA THR A 118 -7.175 10.345 -7.581 1.00 0.00 C ATOM 1859 C THR A 118 -8.563 10.119 -6.980 1.00 0.00 C ATOM 1860 O THR A 118 -8.995 10.869 -6.106 1.00 0.00 O ATOM 1861 CB THR A 118 -6.076 9.532 -6.894 1.00 0.00 C ATOM 1862 OG1 THR A 118 -5.662 10.356 -5.808 1.00 0.00 O ATOM 1863 CG2 THR A 118 -4.821 9.396 -7.759 1.00 0.00 C ATOM 0 H THR A 118 -6.692 12.107 -6.554 1.00 0.00 H new ATOM 0 HA THR A 118 -7.246 10.013 -8.617 1.00 0.00 H new ATOM 0 HB THR A 118 -6.457 8.541 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.451 10.706 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.073 8.811 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.075 8.895 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.420 10.386 -7.976 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.225 9.083 -7.474 1.00 0.00 N ATOM 1872 CA HIS A 119 -10.556 8.749 -6.997 1.00 0.00 C ATOM 1873 C HIS A 119 -10.904 7.317 -7.406 1.00 0.00 C ATOM 1874 O HIS A 119 -10.030 6.556 -7.820 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.582 9.772 -7.488 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.093 10.697 -6.410 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -12.732 11.893 -6.688 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.053 10.590 -5.051 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.056 12.471 -5.541 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -12.634 11.662 -4.527 1.00 0.00 N ATOM 0 H HIS A 119 -8.864 8.464 -8.200 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.577 8.794 -5.908 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.133 10.369 -8.282 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.427 9.242 -7.927 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -12.921 12.266 -7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.621 9.771 -4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.565 13.417 -5.428 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.182 6.992 -7.277 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.656 5.664 -7.628 1.00 0.00 C ATOM 1890 C TYR A 120 -13.063 5.599 -9.102 1.00 0.00 C ATOM 1891 O TYR A 120 -13.728 6.503 -9.606 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.890 5.413 -6.759 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.444 3.991 -6.861 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.584 2.912 -6.836 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.804 3.787 -6.979 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -14.106 1.573 -6.932 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.326 2.448 -7.075 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.451 1.407 -7.047 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.943 0.143 -7.138 1.00 0.00 O ATOM 0 H TYR A 120 -12.904 7.626 -6.934 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.874 4.922 -7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.637 5.620 -5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.671 6.118 -7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.520 3.072 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.477 4.632 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.444 0.720 -6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.388 2.275 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.919 0.177 -7.214 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.646 4.522 -9.751 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.959 4.327 -11.156 1.00 0.00 C ATOM 1911 C GLY A 121 -11.686 4.331 -12.006 1.00 0.00 C ATOM 1912 O GLY A 121 -11.709 3.921 -13.166 1.00 0.00 O ATOM 0 H GLY A 121 -12.094 3.775 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.486 3.382 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.630 5.116 -11.496 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.607 4.798 -11.397 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.328 4.860 -12.083 1.00 0.00 C ATOM 1918 C GLN A 122 -8.570 3.542 -11.915 1.00 0.00 C ATOM 1919 O GLN A 122 -8.775 2.825 -10.936 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.493 6.040 -11.581 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.336 7.314 -11.502 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.447 8.553 -11.378 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.495 8.743 -12.117 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.810 9.384 -10.404 1.00 0.00 N ATOM 0 H GLN A 122 -10.592 5.137 -10.435 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.516 5.015 -13.145 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.084 5.809 -10.597 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.646 6.201 -12.248 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.960 7.397 -12.392 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.008 7.257 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.618 9.165 -9.821 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.280 10.240 -10.240 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.711 3.261 -12.884 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.922 2.042 -12.855 1.00 0.00 C ATOM 1935 C LYS A 123 -5.549 2.342 -12.251 1.00 0.00 C ATOM 1936 O LYS A 123 -4.597 1.592 -12.463 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.858 1.412 -14.248 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.882 -0.115 -14.161 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.268 -0.745 -15.413 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.341 -1.032 -16.465 1.00 0.00 C ATOM 1941 NZ LYS A 123 -7.025 -2.275 -17.203 1.00 0.00 N ATOM 0 H LYS A 123 -7.544 3.857 -13.695 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.395 1.297 -12.215 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.700 1.759 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.950 1.737 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.332 -0.441 -13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.909 -0.460 -14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.515 -0.076 -15.829 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.759 -1.671 -15.146 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.314 -1.126 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.409 -0.196 -17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.764 -2.455 -17.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -6.106 -2.172 -17.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.983 -3.073 -16.537 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.490 3.440 -11.512 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.249 3.849 -10.877 1.00 0.00 C ATOM 1957 C ALA A 124 -4.272 3.431 -9.405 1.00 0.00 C ATOM 1958 O ALA A 124 -3.292 2.892 -8.893 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.058 5.356 -11.052 1.00 0.00 C ATOM 0 H ALA A 124 -6.282 4.059 -11.339 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.398 3.356 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.127 5.663 -10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.018 5.597 -12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.893 5.884 -10.591 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.403 3.695 -8.766 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.567 3.353 -7.364 1.00 0.00 C ATOM 1967 C ILE A 125 -5.324 1.854 -7.177 1.00 0.00 C ATOM 1968 O ILE A 125 -4.828 1.427 -6.135 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.931 3.822 -6.854 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.048 2.903 -7.351 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.182 5.285 -7.228 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.424 3.494 -7.037 1.00 0.00 C ATOM 0 H ILE A 125 -6.214 4.142 -9.194 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.828 3.875 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.928 3.764 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.949 2.753 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.953 1.923 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.158 5.594 -6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.408 5.912 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.158 5.393 -8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.201 2.821 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.529 3.620 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.524 4.463 -7.527 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.683 1.096 -8.203 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.510 -0.346 -8.164 1.00 0.00 C ATOM 1986 C LEU A 126 -4.020 -0.674 -8.042 1.00 0.00 C ATOM 1987 O LEU A 126 -3.217 -0.247 -8.870 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.186 -0.999 -9.372 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.686 -0.740 -9.522 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.177 -1.149 -10.913 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.476 -1.431 -8.409 1.00 0.00 C ATOM 0 H LEU A 126 -6.093 1.453 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.002 -0.765 -7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.685 -0.651 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.027 -2.076 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.859 0.331 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.247 -0.954 -10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.646 -0.573 -11.670 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.989 -2.212 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.539 -1.231 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.301 -2.506 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.151 -1.049 -7.441 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.697 -1.429 -7.002 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.318 -1.818 -6.760 1.00 0.00 C ATOM 2005 C PHE A 127 -2.229 -3.285 -6.336 1.00 0.00 C ATOM 2006 O PHE A 127 -3.030 -3.750 -5.526 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.797 -0.938 -5.623 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.949 0.246 -6.091 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.053 0.084 -7.102 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -1.089 1.461 -5.496 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.734 1.183 -7.536 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.302 2.560 -5.930 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.594 2.397 -6.941 1.00 0.00 C ATOM 0 H PHE A 127 -4.366 -1.782 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.732 -1.694 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.645 -0.561 -5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.203 -1.551 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.060 -0.881 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.799 1.590 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.444 1.054 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.414 3.525 -5.458 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.194 3.232 -7.271 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.248 -3.973 -6.901 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.044 -5.378 -6.591 1.00 0.00 C ATOM 2025 C LEU A 128 0.370 -5.575 -6.040 1.00 0.00 C ATOM 2026 O LEU A 128 1.351 -5.265 -6.714 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.355 -6.247 -7.811 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.447 -7.303 -7.622 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.732 -8.036 -8.934 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.086 -8.268 -6.492 1.00 0.00 C ATOM 0 H LEU A 128 -0.586 -3.584 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.737 -5.700 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.648 -5.593 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.438 -6.752 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.367 -6.796 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.511 -8.781 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.064 -7.320 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.824 -8.530 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.878 -9.008 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.149 -8.773 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.973 -7.712 -5.561 1.00 0.00 H new ATOM 2042 N PRO A 129 0.431 -6.101 -4.788 1.00 0.00 N ATOM 2043 CA PRO A 129 1.708 -6.342 -4.139 1.00 0.00 C ATOM 2044 C PRO A 129 2.399 -7.574 -4.728 1.00 0.00 C ATOM 2045 O PRO A 129 1.984 -8.704 -4.473 1.00 0.00 O ATOM 2046 CB PRO A 129 1.378 -6.496 -2.663 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.111 -6.798 -2.599 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.710 -6.479 -3.959 1.00 0.00 C ATOM 0 HA PRO A 129 2.417 -5.528 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.960 -7.301 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.616 -5.586 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.278 -7.845 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.589 -6.201 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.232 -7.341 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.436 -5.669 -3.892 1.00 0.00 H new ATOM 2056 N LEU A 130 3.440 -7.315 -5.505 1.00 0.00 N ATOM 2057 CA LEU A 130 4.192 -8.388 -6.132 1.00 0.00 C ATOM 2058 C LEU A 130 5.286 -8.866 -5.176 1.00 0.00 C ATOM 2059 O LEU A 130 5.806 -8.083 -4.382 1.00 0.00 O ATOM 2060 CB LEU A 130 4.719 -7.945 -7.499 1.00 0.00 C ATOM 2061 CG LEU A 130 3.718 -7.999 -8.654 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.952 -9.324 -8.655 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.777 -6.794 -8.621 1.00 0.00 C ATOM 0 H LEU A 130 3.781 -6.377 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 130 3.545 -9.243 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.086 -6.923 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.574 -8.570 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 130 4.274 -7.948 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.247 -9.336 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.655 -10.150 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.408 -9.431 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.076 -6.857 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.225 -6.789 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.358 -5.876 -8.706 1.00 0.00 H new ATOM 2075 N PRO A 131 5.611 -10.182 -5.285 1.00 0.00 N ATOM 2076 CA PRO A 131 6.634 -10.773 -4.439 1.00 0.00 C ATOM 2077 C PRO A 131 8.033 -10.354 -4.896 1.00 0.00 C ATOM 2078 O PRO A 131 8.343 -10.405 -6.085 1.00 0.00 O ATOM 2079 CB PRO A 131 6.403 -12.272 -4.532 1.00 0.00 C ATOM 2080 CG PRO A 131 5.564 -12.488 -5.781 1.00 0.00 C ATOM 2081 CD PRO A 131 5.016 -11.138 -6.213 1.00 0.00 C ATOM 0 HA PRO A 131 6.570 -10.437 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.349 -12.809 -4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.888 -12.643 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.168 -12.927 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.750 -13.184 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.289 -10.911 -7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.928 -11.117 -6.159 1.00 0.00 H new ATOM 2089 N VAL A 132 8.840 -9.948 -3.927 1.00 0.00 N ATOM 2090 CA VAL A 132 10.199 -9.520 -4.215 1.00 0.00 C ATOM 2091 C VAL A 132 11.133 -10.032 -3.117 1.00 0.00 C ATOM 2092 O VAL A 132 10.675 -10.495 -2.074 1.00 0.00 O ATOM 2093 CB VAL A 132 10.245 -8.000 -4.379 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.570 -7.315 -3.050 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.245 -7.595 -5.464 1.00 0.00 C ATOM 0 H VAL A 132 8.579 -9.906 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 132 10.542 -9.945 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 132 9.256 -7.667 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.597 -6.235 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.804 -7.564 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.541 -7.657 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.258 -6.509 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.240 -7.947 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 132 10.951 -8.040 -6.415 1.00 0.00 H new