USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 56 THR OG1 : rot 58:sc= -3.2! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 147:sc= 1.44 (180deg=-1.55) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 180:sc=-0.00985 (180deg=-0.00985) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -176:sc= 0.478 (180deg=0) USER MOD Set 2.3: A 55 ASN : amide:sc= 0.44 K(o=0.91,f=-1.1) USER MOD Single : A 14 SER OG : rot 180:sc= -1.01 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -0.0142 (180deg=-0.341) USER MOD Single : A 18 TYR OH : rot 15:sc= -2.24! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= 0.848 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 31 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.657 (180deg=-1.12) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -0.0402 (180deg=-0.346) USER MOD Single : A 41 ASN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 45 THR OG1 : rot -97:sc= -0.0127 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.18 X(o=-2.2,f=-2.5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -5.26! C(o=-5.3!,f=-16!) USER MOD Single : A 87 GLN : amide:sc= -15.4! C(o=-15!,f=-29!) USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= 0.0439 (180deg=-0.48) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.820 -10.865 5.334 1.00 0.00 N ATOM 100 CA VAL A 7 -2.555 -10.092 4.084 1.00 0.00 C ATOM 101 C VAL A 7 -3.356 -8.784 4.096 1.00 0.00 C ATOM 102 O VAL A 7 -3.300 -8.022 5.039 1.00 0.00 O ATOM 103 CB VAL A 7 -3.023 -10.969 2.930 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.371 -10.470 1.642 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.640 -12.422 3.176 1.00 0.00 C ATOM 0 HA VAL A 7 -1.499 -9.840 3.993 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.108 -10.912 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.697 -11.089 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.663 -9.435 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.287 -10.529 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.982 -13.035 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.557 -12.503 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.107 -12.770 4.097 1.00 0.00 H new ATOM 115 N ILE A 8 -4.103 -8.517 3.049 1.00 0.00 N ATOM 116 CA ILE A 8 -4.901 -7.264 2.999 1.00 0.00 C ATOM 117 C ILE A 8 -5.718 -7.123 4.286 1.00 0.00 C ATOM 118 O ILE A 8 -6.114 -8.101 4.889 1.00 0.00 O ATOM 119 CB ILE A 8 -5.822 -7.428 1.783 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.009 -7.825 0.549 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.518 -6.097 1.491 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.698 -9.003 -0.145 1.00 0.00 C ATOM 0 H ILE A 8 -4.190 -9.118 2.229 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.280 -6.372 2.914 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.554 -8.204 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.927 -6.981 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.995 -8.100 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.173 -6.211 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.108 -5.797 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.769 -5.333 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.125 -9.292 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.757 -9.847 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.704 -8.710 -0.447 1.00 0.00 H new ATOM 134 N LEU A 9 -5.973 -5.918 4.714 1.00 0.00 N ATOM 135 CA LEU A 9 -6.765 -5.728 5.966 1.00 0.00 C ATOM 136 C LEU A 9 -7.689 -4.514 5.839 1.00 0.00 C ATOM 137 O LEU A 9 -8.802 -4.621 5.367 1.00 0.00 O ATOM 138 CB LEU A 9 -5.741 -5.516 7.097 1.00 0.00 C ATOM 139 CG LEU A 9 -4.496 -4.779 6.585 1.00 0.00 C ATOM 140 CD1 LEU A 9 -4.192 -3.592 7.501 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.306 -5.739 6.594 1.00 0.00 C ATOM 0 H LEU A 9 -5.670 -5.059 4.255 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.400 -6.591 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.199 -4.945 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.451 -6.480 7.514 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.675 -4.420 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.308 -3.069 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.042 -2.909 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.010 -3.951 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.418 -5.221 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.131 -6.092 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.520 -6.590 5.947 1.00 0.00 H new ATOM 153 N ALA A 10 -7.244 -3.363 6.263 1.00 0.00 N ATOM 154 CA ALA A 10 -8.111 -2.153 6.168 1.00 0.00 C ATOM 155 C ALA A 10 -7.776 -1.353 4.907 1.00 0.00 C ATOM 156 O ALA A 10 -6.622 -1.179 4.568 1.00 0.00 O ATOM 157 CB ALA A 10 -7.792 -1.338 7.420 1.00 0.00 C ATOM 0 H ALA A 10 -6.322 -3.208 6.670 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.168 -2.410 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.392 -0.428 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.022 -1.929 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.734 -1.075 7.423 1.00 0.00 H new ATOM 163 N PRO A 11 -8.807 -0.887 4.255 1.00 0.00 N ATOM 164 CA PRO A 11 -8.631 -0.090 3.018 1.00 0.00 C ATOM 165 C PRO A 11 -8.132 1.316 3.364 1.00 0.00 C ATOM 166 O PRO A 11 -8.044 1.684 4.517 1.00 0.00 O ATOM 167 CB PRO A 11 -10.035 -0.039 2.423 1.00 0.00 C ATOM 168 CG PRO A 11 -10.958 -0.236 3.583 1.00 0.00 C ATOM 169 CD PRO A 11 -10.220 -1.060 4.607 1.00 0.00 C ATOM 0 HA PRO A 11 -7.900 -0.514 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.220 0.916 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.174 -0.817 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.256 0.724 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.870 -0.742 3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.424 -0.713 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.516 -2.108 4.564 1.00 0.00 H new ATOM 177 N VAL A 12 -7.803 2.102 2.376 1.00 0.00 N ATOM 178 CA VAL A 12 -7.309 3.481 2.661 1.00 0.00 C ATOM 179 C VAL A 12 -8.397 4.510 2.335 1.00 0.00 C ATOM 180 O VAL A 12 -8.963 4.508 1.260 1.00 0.00 O ATOM 181 CB VAL A 12 -6.085 3.682 1.756 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.287 2.378 1.656 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.539 4.108 0.356 1.00 0.00 C ATOM 0 H VAL A 12 -7.854 1.852 1.388 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.051 3.610 3.712 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.453 4.459 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.421 2.530 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.953 2.079 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.919 1.596 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.667 4.249 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.179 3.335 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.095 5.043 0.423 1.00 0.00 H new ATOM 193 N LEU A 13 -8.687 5.390 3.247 1.00 0.00 N ATOM 194 CA LEU A 13 -9.728 6.417 2.976 1.00 0.00 C ATOM 195 C LEU A 13 -9.074 7.765 2.668 1.00 0.00 C ATOM 196 O LEU A 13 -8.552 8.427 3.542 1.00 0.00 O ATOM 197 CB LEU A 13 -10.555 6.496 4.256 1.00 0.00 C ATOM 198 CG LEU A 13 -11.355 5.203 4.428 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.064 4.862 3.116 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.405 4.063 4.803 1.00 0.00 C ATOM 0 H LEU A 13 -8.250 5.444 4.167 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.344 6.162 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.901 6.649 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.230 7.351 4.213 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.095 5.337 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.634 3.941 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.740 5.673 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.324 4.728 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.974 3.141 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.666 3.931 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.898 4.304 5.737 1.00 0.00 H new ATOM 212 N SER A 14 -9.100 8.177 1.430 1.00 0.00 N ATOM 213 CA SER A 14 -8.482 9.484 1.067 1.00 0.00 C ATOM 214 C SER A 14 -9.068 9.992 -0.252 1.00 0.00 C ATOM 215 O SER A 14 -9.435 9.219 -1.115 1.00 0.00 O ATOM 216 CB SER A 14 -6.991 9.187 0.913 1.00 0.00 C ATOM 217 OG SER A 14 -6.676 7.989 1.609 1.00 0.00 O ATOM 0 H SER A 14 -9.522 7.666 0.655 1.00 0.00 H new ATOM 0 HA SER A 14 -8.668 10.254 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.736 9.086 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.401 10.015 1.306 1.00 0.00 H new ATOM 0 HG SER A 14 -5.720 7.795 1.511 1.00 0.00 H new ATOM 223 N GLU A 15 -9.158 11.283 -0.415 1.00 0.00 N ATOM 224 CA GLU A 15 -9.722 11.834 -1.681 1.00 0.00 C ATOM 225 C GLU A 15 -9.162 11.067 -2.880 1.00 0.00 C ATOM 226 O GLU A 15 -9.896 10.574 -3.713 1.00 0.00 O ATOM 227 CB GLU A 15 -9.271 13.294 -1.714 1.00 0.00 C ATOM 228 CG GLU A 15 -10.377 14.183 -1.146 1.00 0.00 C ATOM 229 CD GLU A 15 -11.619 14.085 -2.034 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.456 14.026 -3.242 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.712 14.070 -1.491 1.00 0.00 O ATOM 0 H GLU A 15 -8.867 11.979 0.271 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.807 11.746 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.357 13.416 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.040 13.591 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.619 13.875 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.036 15.217 -1.093 1.00 0.00 H new ATOM 238 N LYS A 16 -7.863 10.958 -2.974 1.00 0.00 N ATOM 239 CA LYS A 16 -7.259 10.222 -4.113 1.00 0.00 C ATOM 240 C LYS A 16 -7.845 8.810 -4.194 1.00 0.00 C ATOM 241 O LYS A 16 -8.142 8.309 -5.259 1.00 0.00 O ATOM 242 CB LYS A 16 -5.763 10.166 -3.802 1.00 0.00 C ATOM 243 CG LYS A 16 -5.149 11.554 -3.995 1.00 0.00 C ATOM 244 CD LYS A 16 -4.012 11.472 -5.015 1.00 0.00 C ATOM 245 CE LYS A 16 -4.459 12.116 -6.330 1.00 0.00 C ATOM 246 NZ LYS A 16 -5.243 11.058 -7.028 1.00 0.00 N ATOM 0 H LYS A 16 -7.197 11.349 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.456 10.705 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.606 9.827 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.272 9.445 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.910 12.255 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.772 11.932 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.127 11.980 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.734 10.431 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.066 13.003 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.603 12.432 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.846 10.901 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.196 10.174 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.235 11.360 -7.113 1.00 0.00 H new ATOM 260 N ALA A 17 -8.016 8.166 -3.070 1.00 0.00 N ATOM 261 CA ALA A 17 -8.586 6.790 -3.079 1.00 0.00 C ATOM 262 C ALA A 17 -10.082 6.843 -3.387 1.00 0.00 C ATOM 263 O ALA A 17 -10.544 6.305 -4.372 1.00 0.00 O ATOM 264 CB ALA A 17 -8.354 6.251 -1.668 1.00 0.00 C ATOM 0 H ALA A 17 -7.785 8.534 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.123 6.159 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.749 5.237 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.285 6.240 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.862 6.890 -0.946 1.00 0.00 H new ATOM 270 N TYR A 18 -10.846 7.487 -2.548 1.00 0.00 N ATOM 271 CA TYR A 18 -12.313 7.569 -2.793 1.00 0.00 C ATOM 272 C TYR A 18 -12.585 7.949 -4.251 1.00 0.00 C ATOM 273 O TYR A 18 -13.560 7.527 -4.840 1.00 0.00 O ATOM 274 CB TYR A 18 -12.814 8.658 -1.845 1.00 0.00 C ATOM 275 CG TYR A 18 -13.275 8.016 -0.560 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.056 6.856 -0.602 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.918 8.577 0.672 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.482 6.253 0.590 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.343 7.975 1.863 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.125 6.814 1.822 1.00 0.00 C ATOM 281 OH TYR A 18 -14.542 6.222 2.996 1.00 0.00 O ATOM 0 H TYR A 18 -10.518 7.959 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.816 6.618 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.019 9.376 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.633 9.210 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.331 6.425 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.316 9.473 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.085 5.357 0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.067 8.407 2.814 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.862 5.315 2.809 1.00 0.00 H new ATOM 291 N ALA A 19 -11.730 8.739 -4.839 1.00 0.00 N ATOM 292 CA ALA A 19 -11.941 9.140 -6.257 1.00 0.00 C ATOM 293 C ALA A 19 -11.249 8.141 -7.194 1.00 0.00 C ATOM 294 O ALA A 19 -11.426 8.173 -8.396 1.00 0.00 O ATOM 295 CB ALA A 19 -11.306 10.525 -6.381 1.00 0.00 C ATOM 0 H ALA A 19 -10.894 9.124 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.996 9.155 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.422 10.888 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.797 11.213 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.246 10.462 -6.136 1.00 0.00 H new ATOM 301 N GLY A 20 -10.471 7.249 -6.644 1.00 0.00 N ATOM 302 CA GLY A 20 -9.771 6.234 -7.484 1.00 0.00 C ATOM 303 C GLY A 20 -10.452 4.889 -7.279 1.00 0.00 C ATOM 304 O GLY A 20 -10.623 4.115 -8.199 1.00 0.00 O ATOM 0 H GLY A 20 -10.289 7.179 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.807 6.521 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.719 6.173 -7.206 1.00 0.00 H new ATOM 308 N PHE A 21 -10.856 4.614 -6.073 1.00 0.00 N ATOM 309 CA PHE A 21 -11.547 3.332 -5.792 1.00 0.00 C ATOM 310 C PHE A 21 -12.963 3.392 -6.375 1.00 0.00 C ATOM 311 O PHE A 21 -13.615 2.387 -6.578 1.00 0.00 O ATOM 312 CB PHE A 21 -11.550 3.229 -4.254 1.00 0.00 C ATOM 313 CG PHE A 21 -12.950 3.382 -3.696 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.546 4.645 -3.646 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.646 2.259 -3.234 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.838 4.789 -3.133 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.940 2.403 -2.721 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.537 3.667 -2.670 1.00 0.00 C ATOM 0 H PHE A 21 -10.736 5.227 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.068 2.460 -6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.138 2.266 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.903 3.999 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.008 5.510 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.185 1.283 -3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.298 5.766 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.478 1.537 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.536 3.778 -2.274 1.00 0.00 H new ATOM 328 N ALA A 22 -13.438 4.578 -6.634 1.00 0.00 N ATOM 329 CA ALA A 22 -14.801 4.742 -7.192 1.00 0.00 C ATOM 330 C ALA A 22 -14.947 3.938 -8.486 1.00 0.00 C ATOM 331 O ALA A 22 -16.038 3.599 -8.902 1.00 0.00 O ATOM 332 CB ALA A 22 -14.927 6.237 -7.468 1.00 0.00 C ATOM 0 H ALA A 22 -12.930 5.449 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.575 4.383 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.912 6.448 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.801 6.791 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.159 6.542 -8.179 1.00 0.00 H new ATOM 338 N GLU A 23 -13.852 3.634 -9.124 1.00 0.00 N ATOM 339 CA GLU A 23 -13.910 2.854 -10.394 1.00 0.00 C ATOM 340 C GLU A 23 -13.866 1.355 -10.092 1.00 0.00 C ATOM 341 O GLU A 23 -13.582 0.546 -10.953 1.00 0.00 O ATOM 342 CB GLU A 23 -12.663 3.276 -11.169 1.00 0.00 C ATOM 343 CG GLU A 23 -13.021 3.485 -12.642 1.00 0.00 C ATOM 344 CD GLU A 23 -12.139 4.588 -13.229 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.648 5.399 -12.462 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.970 4.602 -14.438 1.00 0.00 O ATOM 0 H GLU A 23 -12.914 3.893 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.826 3.041 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.255 4.196 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.890 2.513 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.880 2.558 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.072 3.756 -12.737 1.00 0.00 H new ATOM 353 N GLY A 24 -14.129 0.980 -8.872 1.00 0.00 N ATOM 354 CA GLY A 24 -14.086 -0.454 -8.509 1.00 0.00 C ATOM 355 C GLY A 24 -12.681 -0.801 -8.013 1.00 0.00 C ATOM 356 O GLY A 24 -12.379 -1.939 -7.712 1.00 0.00 O ATOM 0 H GLY A 24 -14.373 1.612 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.822 -0.668 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.343 -1.069 -9.372 1.00 0.00 H new ATOM 360 N LYS A 25 -11.822 0.179 -7.920 1.00 0.00 N ATOM 361 CA LYS A 25 -10.436 -0.075 -7.439 1.00 0.00 C ATOM 362 C LYS A 25 -10.423 -0.098 -5.908 1.00 0.00 C ATOM 363 O LYS A 25 -11.093 0.681 -5.268 1.00 0.00 O ATOM 364 CB LYS A 25 -9.627 1.111 -7.976 1.00 0.00 C ATOM 365 CG LYS A 25 -9.396 0.933 -9.478 1.00 0.00 C ATOM 366 CD LYS A 25 -8.916 2.254 -10.082 1.00 0.00 C ATOM 367 CE LYS A 25 -9.131 2.231 -11.596 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.078 3.128 -12.148 1.00 0.00 N ATOM 0 H LYS A 25 -12.024 1.150 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.031 -1.030 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.159 2.043 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.672 1.178 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.657 0.151 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.318 0.613 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.461 3.088 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.861 2.407 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.036 1.220 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.128 2.584 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.161 3.164 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.197 4.085 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.140 2.763 -11.888 1.00 0.00 H new ATOM 382 N TYR A 26 -9.686 -0.993 -5.307 1.00 0.00 N ATOM 383 CA TYR A 26 -9.670 -1.039 -3.816 1.00 0.00 C ATOM 384 C TYR A 26 -8.245 -1.002 -3.271 1.00 0.00 C ATOM 385 O TYR A 26 -7.560 -2.002 -3.223 1.00 0.00 O ATOM 386 CB TYR A 26 -10.357 -2.352 -3.446 1.00 0.00 C ATOM 387 CG TYR A 26 -11.763 -2.354 -3.997 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.505 -1.166 -4.024 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.326 -3.540 -4.480 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.809 -1.167 -4.534 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.630 -3.541 -4.990 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.371 -2.354 -5.018 1.00 0.00 C ATOM 393 OH TYR A 26 -15.656 -2.354 -5.520 1.00 0.00 O ATOM 0 H TYR A 26 -9.102 -1.685 -5.776 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.178 -0.175 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.796 -3.195 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.379 -2.471 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.071 -0.250 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.754 -4.456 -4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.381 -0.251 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.064 -4.458 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.737 -3.044 -6.211 1.00 0.00 H new ATOM 403 N THR A 27 -7.813 0.148 -2.835 1.00 0.00 N ATOM 404 CA THR A 27 -6.452 0.281 -2.262 1.00 0.00 C ATOM 405 C THR A 27 -6.471 -0.199 -0.814 1.00 0.00 C ATOM 406 O THR A 27 -7.139 0.363 0.030 1.00 0.00 O ATOM 407 CB THR A 27 -6.137 1.777 -2.330 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.431 2.261 -3.633 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.657 2.005 -2.021 1.00 0.00 C ATOM 0 H THR A 27 -8.356 1.011 -2.853 1.00 0.00 H new ATOM 0 HA THR A 27 -5.706 -0.309 -2.795 1.00 0.00 H new ATOM 0 HB THR A 27 -6.743 2.310 -1.598 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.232 3.219 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.435 3.071 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.433 1.633 -1.021 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.047 1.473 -2.751 1.00 0.00 H new ATOM 417 N PHE A 28 -5.755 -1.241 -0.526 1.00 0.00 N ATOM 418 CA PHE A 28 -5.739 -1.769 0.860 1.00 0.00 C ATOM 419 C PHE A 28 -4.326 -1.719 1.419 1.00 0.00 C ATOM 420 O PHE A 28 -3.371 -1.619 0.685 1.00 0.00 O ATOM 421 CB PHE A 28 -6.208 -3.215 0.724 1.00 0.00 C ATOM 422 CG PHE A 28 -7.675 -3.289 1.045 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.619 -2.931 0.076 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.090 -3.701 2.314 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.984 -2.983 0.379 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.457 -3.756 2.617 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.402 -3.394 1.649 1.00 0.00 C ATOM 0 H PHE A 28 -5.177 -1.753 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.370 -1.193 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.026 -3.576 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.643 -3.859 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.294 -2.615 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.359 -3.976 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.714 -2.706 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.781 -4.077 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.456 -3.432 1.883 1.00 0.00 H new ATOM 437 N TRP A 29 -4.180 -1.824 2.707 1.00 0.00 N ATOM 438 CA TRP A 29 -2.819 -1.818 3.295 1.00 0.00 C ATOM 439 C TRP A 29 -2.441 -3.264 3.553 1.00 0.00 C ATOM 440 O TRP A 29 -3.145 -3.980 4.234 1.00 0.00 O ATOM 441 CB TRP A 29 -2.940 -1.038 4.605 1.00 0.00 C ATOM 442 CG TRP A 29 -3.127 0.416 4.310 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.306 1.076 4.378 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.130 1.399 3.905 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.096 2.401 4.042 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.772 2.650 3.741 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.746 1.328 3.666 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.066 3.790 3.355 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.031 2.475 3.276 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.691 3.702 3.122 1.00 0.00 C ATOM 0 H TRP A 29 -4.944 -1.914 3.376 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.061 -1.364 2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.783 -1.412 5.186 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.045 -1.184 5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.256 0.640 4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.830 3.108 4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.229 0.387 3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.578 4.733 3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.032 2.410 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.137 4.579 2.823 1.00 0.00 H new ATOM 461 N VAL A 30 -1.371 -3.727 2.992 1.00 0.00 N ATOM 462 CA VAL A 30 -1.029 -5.142 3.195 1.00 0.00 C ATOM 463 C VAL A 30 0.418 -5.328 3.606 1.00 0.00 C ATOM 464 O VAL A 30 1.247 -4.447 3.488 1.00 0.00 O ATOM 465 CB VAL A 30 -1.277 -5.789 1.849 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.192 -5.372 0.856 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.264 -7.283 2.028 1.00 0.00 C ATOM 0 H VAL A 30 -0.727 -3.192 2.409 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.622 -5.580 3.998 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.242 -5.469 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.381 -5.843 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.203 -4.288 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.783 -5.686 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.441 -7.766 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.295 -7.594 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.047 -7.572 2.729 1.00 0.00 H new ATOM 477 N HIS A 31 0.709 -6.493 4.084 1.00 0.00 N ATOM 478 CA HIS A 31 2.096 -6.807 4.518 1.00 0.00 C ATOM 479 C HIS A 31 3.060 -6.666 3.338 1.00 0.00 C ATOM 480 O HIS A 31 2.703 -6.920 2.204 1.00 0.00 O ATOM 481 CB HIS A 31 2.044 -8.258 4.998 1.00 0.00 C ATOM 482 CG HIS A 31 2.148 -8.292 6.498 1.00 0.00 C ATOM 483 ND1 HIS A 31 1.524 -7.353 7.304 1.00 0.00 N ATOM 484 CD2 HIS A 31 2.801 -9.146 7.352 1.00 0.00 C ATOM 485 CE1 HIS A 31 1.812 -7.661 8.581 1.00 0.00 C ATOM 486 NE2 HIS A 31 2.587 -8.744 8.668 1.00 0.00 N ATOM 0 H HIS A 31 0.040 -7.255 4.196 1.00 0.00 H new ATOM 0 HA HIS A 31 2.447 -6.133 5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.114 -8.726 4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.859 -8.829 4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.390 -9.999 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.459 -7.100 9.433 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.946 -9.183 9.516 1.00 0.00 H new ATOM 494 N PRO A 32 4.256 -6.266 3.656 1.00 0.00 N ATOM 495 CA PRO A 32 5.306 -6.082 2.624 1.00 0.00 C ATOM 496 C PRO A 32 5.791 -7.440 2.128 1.00 0.00 C ATOM 497 O PRO A 32 6.889 -7.866 2.425 1.00 0.00 O ATOM 498 CB PRO A 32 6.411 -5.351 3.373 1.00 0.00 C ATOM 499 CG PRO A 32 6.210 -5.709 4.811 1.00 0.00 C ATOM 500 CD PRO A 32 4.735 -5.950 5.001 1.00 0.00 C ATOM 0 HA PRO A 32 4.963 -5.537 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.396 -5.661 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.344 -4.274 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.783 -6.599 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.557 -4.906 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.550 -6.770 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.235 -5.071 5.407 1.00 0.00 H new ATOM 508 N LYS A 33 4.973 -8.132 1.390 1.00 0.00 N ATOM 509 CA LYS A 33 5.379 -9.473 0.894 1.00 0.00 C ATOM 510 C LYS A 33 4.247 -10.095 0.077 1.00 0.00 C ATOM 511 O LYS A 33 4.474 -10.825 -0.867 1.00 0.00 O ATOM 512 CB LYS A 33 5.632 -10.293 2.162 1.00 0.00 C ATOM 513 CG LYS A 33 4.528 -10.010 3.190 1.00 0.00 C ATOM 514 CD LYS A 33 3.786 -11.307 3.515 1.00 0.00 C ATOM 515 CE LYS A 33 2.310 -11.161 3.139 1.00 0.00 C ATOM 516 NZ LYS A 33 2.051 -12.258 2.167 1.00 0.00 N ATOM 0 H LYS A 33 4.041 -7.827 1.109 1.00 0.00 H new ATOM 0 HA LYS A 33 6.255 -9.431 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.654 -11.356 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.606 -10.041 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.961 -9.590 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.832 -9.269 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.230 -12.139 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.881 -11.536 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.668 -11.251 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.110 -10.185 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.145 -12.088 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.817 -12.287 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.010 -13.166 2.672 1.00 0.00 H new ATOM 530 N ALA A 34 3.026 -9.815 0.441 1.00 0.00 N ATOM 531 CA ALA A 34 1.876 -10.394 -0.303 1.00 0.00 C ATOM 532 C ALA A 34 2.005 -10.096 -1.799 1.00 0.00 C ATOM 533 O ALA A 34 1.836 -8.974 -2.234 1.00 0.00 O ATOM 534 CB ALA A 34 0.642 -9.704 0.278 1.00 0.00 C ATOM 0 H ALA A 34 2.776 -9.209 1.223 1.00 0.00 H new ATOM 0 HA ALA A 34 1.823 -11.478 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.252 -10.078 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.577 -9.913 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.720 -8.628 0.123 1.00 0.00 H new ATOM 540 N THR A 35 2.302 -11.090 -2.590 1.00 0.00 N ATOM 541 CA THR A 35 2.439 -10.856 -4.057 1.00 0.00 C ATOM 542 C THR A 35 1.126 -10.319 -4.630 1.00 0.00 C ATOM 543 O THR A 35 0.214 -9.978 -3.904 1.00 0.00 O ATOM 544 CB THR A 35 2.765 -12.227 -4.651 1.00 0.00 C ATOM 545 OG1 THR A 35 1.795 -13.171 -4.219 1.00 0.00 O ATOM 546 CG2 THR A 35 4.153 -12.670 -4.189 1.00 0.00 C ATOM 0 H THR A 35 2.456 -12.052 -2.286 1.00 0.00 H new ATOM 0 HA THR A 35 3.210 -10.121 -4.288 1.00 0.00 H new ATOM 0 HB THR A 35 2.752 -12.164 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.002 -14.050 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.383 -13.647 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.896 -11.945 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.171 -12.734 -3.101 1.00 0.00 H new ATOM 554 N LYS A 36 1.023 -10.240 -5.928 1.00 0.00 N ATOM 555 CA LYS A 36 -0.232 -9.724 -6.548 1.00 0.00 C ATOM 556 C LYS A 36 -1.321 -10.801 -6.521 1.00 0.00 C ATOM 557 O LYS A 36 -2.465 -10.534 -6.211 1.00 0.00 O ATOM 558 CB LYS A 36 0.150 -9.383 -7.987 1.00 0.00 C ATOM 559 CG LYS A 36 -0.304 -7.958 -8.313 1.00 0.00 C ATOM 560 CD LYS A 36 0.922 -7.072 -8.542 1.00 0.00 C ATOM 561 CE LYS A 36 0.502 -5.601 -8.498 1.00 0.00 C ATOM 562 NZ LYS A 36 0.479 -5.165 -9.921 1.00 0.00 N ATOM 0 H LYS A 36 1.753 -10.510 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.630 -8.860 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.228 -9.471 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.314 -10.090 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.935 -7.960 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.906 -7.561 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.675 -7.270 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.377 -7.303 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.477 -5.484 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.205 -5.007 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.199 -4.165 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.426 -5.282 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.204 -5.744 -10.450 1.00 0.00 H new ATOM 576 N THR A 37 -0.973 -12.016 -6.848 1.00 0.00 N ATOM 577 CA THR A 37 -1.989 -13.108 -6.845 1.00 0.00 C ATOM 578 C THR A 37 -2.385 -13.476 -5.413 1.00 0.00 C ATOM 579 O THR A 37 -3.547 -13.662 -5.108 1.00 0.00 O ATOM 580 CB THR A 37 -1.305 -14.282 -7.523 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.617 -13.830 -8.680 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.350 -15.326 -7.916 1.00 0.00 C ATOM 0 H THR A 37 -0.031 -12.300 -7.117 1.00 0.00 H new ATOM 0 HA THR A 37 -2.905 -12.813 -7.356 1.00 0.00 H new ATOM 0 HB THR A 37 -0.590 -14.732 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.175 -14.589 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.858 -16.168 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.869 -15.675 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.069 -14.880 -8.603 1.00 0.00 H new ATOM 590 N GLU A 38 -1.428 -13.588 -4.533 1.00 0.00 N ATOM 591 CA GLU A 38 -1.752 -13.950 -3.123 1.00 0.00 C ATOM 592 C GLU A 38 -2.767 -12.966 -2.541 1.00 0.00 C ATOM 593 O GLU A 38 -3.735 -13.356 -1.924 1.00 0.00 O ATOM 594 CB GLU A 38 -0.423 -13.853 -2.373 1.00 0.00 C ATOM 595 CG GLU A 38 0.281 -15.211 -2.400 1.00 0.00 C ATOM 596 CD GLU A 38 1.303 -15.278 -1.264 1.00 0.00 C ATOM 597 OE1 GLU A 38 2.367 -14.700 -1.416 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.004 -15.907 -0.262 1.00 0.00 O ATOM 0 H GLU A 38 -0.437 -13.445 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.194 -14.943 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.211 -13.094 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.597 -13.542 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.449 -16.013 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.778 -15.356 -3.359 1.00 0.00 H new ATOM 605 N ILE A 39 -2.557 -11.695 -2.736 1.00 0.00 N ATOM 606 CA ILE A 39 -3.511 -10.683 -2.193 1.00 0.00 C ATOM 607 C ILE A 39 -4.924 -10.960 -2.721 1.00 0.00 C ATOM 608 O ILE A 39 -5.911 -10.673 -2.076 1.00 0.00 O ATOM 609 CB ILE A 39 -2.982 -9.344 -2.719 1.00 0.00 C ATOM 610 CG1 ILE A 39 -1.805 -8.887 -1.855 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.084 -8.280 -2.672 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.132 -7.679 -2.508 1.00 0.00 C ATOM 0 H ILE A 39 -1.764 -11.310 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.576 -10.699 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.658 -9.475 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.153 -8.626 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.087 -9.699 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.693 -7.335 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.923 -8.598 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.420 -8.150 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.293 -7.353 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.770 -7.955 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.853 -6.866 -2.599 1.00 0.00 H new ATOM 624 N LYS A 40 -5.021 -11.507 -3.898 1.00 0.00 N ATOM 625 CA LYS A 40 -6.358 -11.799 -4.493 1.00 0.00 C ATOM 626 C LYS A 40 -7.168 -12.764 -3.619 1.00 0.00 C ATOM 627 O LYS A 40 -8.350 -12.587 -3.411 1.00 0.00 O ATOM 628 CB LYS A 40 -6.035 -12.463 -5.829 1.00 0.00 C ATOM 629 CG LYS A 40 -7.308 -12.576 -6.667 1.00 0.00 C ATOM 630 CD LYS A 40 -6.937 -12.652 -8.150 1.00 0.00 C ATOM 631 CE LYS A 40 -8.106 -13.246 -8.938 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.029 -14.713 -8.691 1.00 0.00 N ATOM 0 H LYS A 40 -4.226 -11.768 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.960 -10.896 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.286 -11.880 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.609 -13.452 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.870 -13.463 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.953 -11.716 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.698 -11.658 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.046 -13.266 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.058 -12.838 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.022 -13.019 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.057 -15.220 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.141 -14.936 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.835 -15.009 -8.105 1.00 0.00 H new ATOM 646 N ASN A 41 -6.546 -13.803 -3.143 1.00 0.00 N ATOM 647 CA ASN A 41 -7.278 -14.817 -2.322 1.00 0.00 C ATOM 648 C ASN A 41 -7.932 -14.207 -1.071 1.00 0.00 C ATOM 649 O ASN A 41 -8.998 -14.628 -0.666 1.00 0.00 O ATOM 650 CB ASN A 41 -6.206 -15.827 -1.914 1.00 0.00 C ATOM 651 CG ASN A 41 -5.798 -16.658 -3.133 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.431 -17.646 -3.449 1.00 0.00 O ATOM 653 ND2 ASN A 41 -4.759 -16.296 -3.836 1.00 0.00 N ATOM 0 H ASN A 41 -5.555 -13.999 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.096 -15.259 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.338 -15.308 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.586 -16.478 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.479 -16.842 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.228 -15.467 -3.571 1.00 0.00 H new ATOM 660 N ALA A 42 -7.310 -13.253 -0.437 1.00 0.00 N ATOM 661 CA ALA A 42 -7.921 -12.675 0.801 1.00 0.00 C ATOM 662 C ALA A 42 -9.125 -11.783 0.483 1.00 0.00 C ATOM 663 O ALA A 42 -10.177 -11.923 1.073 1.00 0.00 O ATOM 664 CB ALA A 42 -6.805 -11.862 1.463 1.00 0.00 C ATOM 0 H ALA A 42 -6.415 -12.850 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.301 -13.462 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.181 -11.407 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.968 -12.519 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.471 -11.080 0.781 1.00 0.00 H new ATOM 670 N VAL A 43 -8.987 -10.858 -0.424 1.00 0.00 N ATOM 671 CA VAL A 43 -10.137 -9.962 -0.737 1.00 0.00 C ATOM 672 C VAL A 43 -11.279 -10.752 -1.398 1.00 0.00 C ATOM 673 O VAL A 43 -12.436 -10.566 -1.077 1.00 0.00 O ATOM 674 CB VAL A 43 -9.556 -8.881 -1.669 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.260 -8.883 -3.029 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.744 -7.511 -1.018 1.00 0.00 C ATOM 0 H VAL A 43 -8.136 -10.683 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.576 -9.515 0.155 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.499 -9.094 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.828 -8.109 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.131 -9.856 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.323 -8.685 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.336 -6.739 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.806 -7.327 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.224 -7.489 -0.060 1.00 0.00 H new ATOM 686 N GLU A 44 -10.970 -11.625 -2.318 1.00 0.00 N ATOM 687 CA GLU A 44 -12.051 -12.405 -2.988 1.00 0.00 C ATOM 688 C GLU A 44 -12.879 -13.161 -1.946 1.00 0.00 C ATOM 689 O GLU A 44 -14.090 -13.213 -2.022 1.00 0.00 O ATOM 690 CB GLU A 44 -11.329 -13.384 -3.915 1.00 0.00 C ATOM 691 CG GLU A 44 -11.934 -13.296 -5.318 1.00 0.00 C ATOM 692 CD GLU A 44 -13.218 -14.123 -5.374 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.088 -13.887 -4.552 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.311 -14.979 -6.238 1.00 0.00 O ATOM 0 H GLU A 44 -10.022 -11.831 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.739 -11.763 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.265 -13.151 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.420 -14.400 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.147 -12.257 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.221 -13.662 -6.056 1.00 0.00 H new ATOM 701 N THR A 45 -12.238 -13.745 -0.972 1.00 0.00 N ATOM 702 CA THR A 45 -12.995 -14.492 0.073 1.00 0.00 C ATOM 703 C THR A 45 -13.590 -13.513 1.088 1.00 0.00 C ATOM 704 O THR A 45 -14.746 -13.603 1.452 1.00 0.00 O ATOM 705 CB THR A 45 -11.959 -15.395 0.747 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.048 -14.597 1.488 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.198 -16.189 -0.316 1.00 0.00 C ATOM 0 H THR A 45 -11.225 -13.738 -0.854 1.00 0.00 H new ATOM 0 HA THR A 45 -13.823 -15.065 -0.346 1.00 0.00 H new ATOM 0 HB THR A 45 -12.465 -16.088 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.241 -14.441 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.461 -16.831 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.898 -16.803 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.691 -15.500 -0.992 1.00 0.00 H new ATOM 715 N ALA A 46 -12.803 -12.579 1.549 1.00 0.00 N ATOM 716 CA ALA A 46 -13.315 -11.592 2.543 1.00 0.00 C ATOM 717 C ALA A 46 -14.456 -10.766 1.940 1.00 0.00 C ATOM 718 O ALA A 46 -15.595 -10.873 2.350 1.00 0.00 O ATOM 719 CB ALA A 46 -12.117 -10.697 2.863 1.00 0.00 C ATOM 0 H ALA A 46 -11.827 -12.457 1.280 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.715 -12.076 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.412 -9.941 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.310 -11.303 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.774 -10.209 1.951 1.00 0.00 H new ATOM 725 N PHE A 47 -14.158 -9.939 0.975 1.00 0.00 N ATOM 726 CA PHE A 47 -15.225 -9.102 0.353 1.00 0.00 C ATOM 727 C PHE A 47 -16.143 -9.965 -0.517 1.00 0.00 C ATOM 728 O PHE A 47 -17.126 -9.497 -1.057 1.00 0.00 O ATOM 729 CB PHE A 47 -14.472 -8.072 -0.485 1.00 0.00 C ATOM 730 CG PHE A 47 -13.650 -7.211 0.442 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.273 -6.218 1.208 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.271 -7.416 0.548 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.514 -5.430 2.080 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.511 -6.626 1.420 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.134 -5.634 2.186 1.00 0.00 C ATOM 0 H PHE A 47 -13.223 -9.806 0.590 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.869 -8.627 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.828 -8.571 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.173 -7.458 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.338 -6.061 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.792 -8.183 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.994 -4.664 2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.445 -6.782 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.549 -5.025 2.860 1.00 0.00 H new ATOM 745 N LYS A 48 -15.830 -11.223 -0.647 1.00 0.00 N ATOM 746 CA LYS A 48 -16.678 -12.129 -1.470 1.00 0.00 C ATOM 747 C LYS A 48 -17.078 -11.444 -2.770 1.00 0.00 C ATOM 748 O LYS A 48 -18.207 -11.527 -3.211 1.00 0.00 O ATOM 749 CB LYS A 48 -17.909 -12.418 -0.612 1.00 0.00 C ATOM 750 CG LYS A 48 -17.509 -13.290 0.580 1.00 0.00 C ATOM 751 CD LYS A 48 -18.635 -14.277 0.892 1.00 0.00 C ATOM 752 CE LYS A 48 -18.285 -15.651 0.316 1.00 0.00 C ATOM 753 NZ LYS A 48 -17.553 -16.350 1.409 1.00 0.00 N ATOM 0 H LYS A 48 -15.018 -11.665 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.153 -13.044 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.348 -11.484 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.669 -12.924 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.589 -13.830 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.308 -12.665 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.781 -14.349 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.573 -13.921 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.182 -16.199 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.667 -15.559 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.279 -17.301 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.700 -15.809 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.168 -16.429 2.244 1.00 0.00 H new ATOM 767 N VAL A 49 -16.155 -10.773 -3.389 1.00 0.00 N ATOM 768 CA VAL A 49 -16.469 -10.086 -4.665 1.00 0.00 C ATOM 769 C VAL A 49 -15.718 -10.761 -5.811 1.00 0.00 C ATOM 770 O VAL A 49 -15.181 -11.842 -5.667 1.00 0.00 O ATOM 771 CB VAL A 49 -16.001 -8.637 -4.446 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.694 -8.345 -5.194 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.091 -7.688 -4.925 1.00 0.00 C ATOM 0 H VAL A 49 -15.193 -10.670 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.526 -10.124 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.812 -8.493 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.395 -7.312 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.913 -9.016 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.844 -8.499 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.769 -6.658 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.281 -7.857 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.005 -7.869 -4.359 1.00 0.00 H new ATOM 783 N LYS A 50 -15.662 -10.121 -6.937 1.00 0.00 N ATOM 784 CA LYS A 50 -14.927 -10.712 -8.085 1.00 0.00 C ATOM 785 C LYS A 50 -13.652 -9.914 -8.331 1.00 0.00 C ATOM 786 O LYS A 50 -13.692 -8.789 -8.787 1.00 0.00 O ATOM 787 CB LYS A 50 -15.869 -10.605 -9.285 1.00 0.00 C ATOM 788 CG LYS A 50 -15.695 -11.841 -10.169 1.00 0.00 C ATOM 789 CD LYS A 50 -14.647 -11.554 -11.246 1.00 0.00 C ATOM 790 CE LYS A 50 -15.143 -12.083 -12.595 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.909 -12.299 -13.399 1.00 0.00 N ATOM 0 H LYS A 50 -16.093 -9.214 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.641 -11.748 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.902 -10.527 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.651 -9.702 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.386 -12.693 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.645 -12.107 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.460 -10.482 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.701 -12.027 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.703 -13.010 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.810 -11.369 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.166 -12.662 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.400 -11.398 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.297 -12.988 -12.917 1.00 0.00 H new ATOM 805 N VAL A 51 -12.518 -10.482 -8.034 1.00 0.00 N ATOM 806 CA VAL A 51 -11.253 -9.739 -8.257 1.00 0.00 C ATOM 807 C VAL A 51 -10.912 -9.766 -9.743 1.00 0.00 C ATOM 808 O VAL A 51 -10.755 -10.811 -10.341 1.00 0.00 O ATOM 809 CB VAL A 51 -10.203 -10.479 -7.435 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.807 -10.068 -7.907 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.372 -10.113 -5.957 1.00 0.00 C ATOM 0 H VAL A 51 -12.414 -11.421 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.315 -8.692 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.326 -11.555 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.055 -10.596 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.690 -10.322 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.681 -8.993 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.624 -10.639 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.244 -9.038 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.369 -10.401 -5.622 1.00 0.00 H new ATOM 821 N VAL A 52 -10.832 -8.618 -10.344 1.00 0.00 N ATOM 822 CA VAL A 52 -10.540 -8.548 -11.799 1.00 0.00 C ATOM 823 C VAL A 52 -9.158 -7.946 -12.043 1.00 0.00 C ATOM 824 O VAL A 52 -8.666 -7.916 -13.153 1.00 0.00 O ATOM 825 CB VAL A 52 -11.645 -7.655 -12.324 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.260 -7.039 -13.662 1.00 0.00 C ATOM 827 CG2 VAL A 52 -12.909 -8.489 -12.488 1.00 0.00 C ATOM 0 H VAL A 52 -10.957 -7.715 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.518 -9.521 -12.290 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.814 -6.844 -11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.071 -6.403 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.356 -6.442 -13.541 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.077 -7.831 -14.388 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.714 -7.859 -12.866 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.721 -9.299 -13.193 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.197 -8.907 -11.523 1.00 0.00 H new ATOM 837 N LYS A 53 -8.529 -7.475 -11.008 1.00 0.00 N ATOM 838 CA LYS A 53 -7.176 -6.879 -11.157 1.00 0.00 C ATOM 839 C LYS A 53 -6.724 -6.317 -9.803 1.00 0.00 C ATOM 840 O LYS A 53 -7.481 -5.680 -9.100 1.00 0.00 O ATOM 841 CB LYS A 53 -7.345 -5.791 -12.239 1.00 0.00 C ATOM 842 CG LYS A 53 -7.071 -4.388 -11.685 1.00 0.00 C ATOM 843 CD LYS A 53 -5.565 -4.117 -11.700 1.00 0.00 C ATOM 844 CE LYS A 53 -5.169 -3.507 -13.047 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.965 -4.271 -13.475 1.00 0.00 N ATOM 0 H LYS A 53 -8.897 -7.477 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.406 -7.590 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.666 -5.994 -13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.358 -5.832 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.591 -3.641 -12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.456 -4.306 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.299 -3.439 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.016 -5.044 -11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.975 -3.600 -13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.948 -2.444 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.593 -3.867 -14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.237 -4.214 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.223 -5.266 -13.631 1.00 0.00 H new ATOM 859 N VAL A 54 -5.500 -6.557 -9.431 1.00 0.00 N ATOM 860 CA VAL A 54 -5.012 -6.041 -8.121 1.00 0.00 C ATOM 861 C VAL A 54 -3.653 -5.360 -8.298 1.00 0.00 C ATOM 862 O VAL A 54 -2.682 -5.980 -8.682 1.00 0.00 O ATOM 863 CB VAL A 54 -4.916 -7.284 -7.214 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.616 -7.275 -6.399 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.100 -7.285 -6.245 1.00 0.00 C ATOM 0 H VAL A 54 -4.817 -7.086 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.673 -5.290 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.928 -8.173 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.576 -8.163 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.762 -7.272 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.586 -6.384 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.041 -8.161 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.072 -6.382 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.032 -7.313 -6.809 1.00 0.00 H new ATOM 875 N ASN A 55 -3.574 -4.095 -8.003 1.00 0.00 N ATOM 876 CA ASN A 55 -2.273 -3.389 -8.137 1.00 0.00 C ATOM 877 C ASN A 55 -1.821 -2.886 -6.769 1.00 0.00 C ATOM 878 O ASN A 55 -2.457 -2.051 -6.160 1.00 0.00 O ATOM 879 CB ASN A 55 -2.544 -2.220 -9.085 1.00 0.00 C ATOM 880 CG ASN A 55 -2.100 -2.596 -10.499 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.400 -3.673 -10.977 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.391 -1.750 -11.195 1.00 0.00 N ATOM 0 H ASN A 55 -4.351 -3.521 -7.676 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.483 -4.035 -8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.605 -1.972 -9.080 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.008 -1.333 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.089 -1.993 -12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.139 -0.846 -10.795 1.00 0.00 H new ATOM 889 N THR A 56 -0.726 -3.388 -6.280 1.00 0.00 N ATOM 890 CA THR A 56 -0.236 -2.938 -4.948 1.00 0.00 C ATOM 891 C THR A 56 1.113 -2.236 -5.108 1.00 0.00 C ATOM 892 O THR A 56 1.867 -2.521 -6.016 1.00 0.00 O ATOM 893 CB THR A 56 -0.094 -4.203 -4.071 1.00 0.00 C ATOM 894 OG1 THR A 56 1.200 -4.225 -3.489 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.296 -5.480 -4.897 1.00 0.00 C ATOM 0 H THR A 56 -0.148 -4.090 -6.743 1.00 0.00 H new ATOM 0 HA THR A 56 -0.925 -2.231 -4.486 1.00 0.00 H new ATOM 0 HB THR A 56 -0.860 -4.170 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.338 -3.407 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.190 -6.352 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.293 -5.474 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.451 -5.523 -5.690 1.00 0.00 H new ATOM 903 N LEU A 57 1.415 -1.313 -4.241 1.00 0.00 N ATOM 904 CA LEU A 57 2.709 -0.584 -4.354 1.00 0.00 C ATOM 905 C LEU A 57 3.225 -0.198 -2.965 1.00 0.00 C ATOM 906 O LEU A 57 2.463 0.146 -2.084 1.00 0.00 O ATOM 907 CB LEU A 57 2.381 0.663 -5.175 1.00 0.00 C ATOM 908 CG LEU A 57 1.378 1.526 -4.410 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.053 2.829 -3.975 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.187 1.847 -5.317 1.00 0.00 C ATOM 0 H LEU A 57 0.823 -1.031 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 57 3.488 -1.188 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.290 1.231 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.968 0.377 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 57 1.030 0.986 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.338 3.445 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.902 2.601 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.401 3.370 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.529 2.462 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.535 2.388 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.294 0.920 -5.628 1.00 0.00 H new ATOM 922 N HIS A 58 4.513 -0.254 -2.763 1.00 0.00 N ATOM 923 CA HIS A 58 5.075 0.109 -1.430 1.00 0.00 C ATOM 924 C HIS A 58 4.881 1.600 -1.159 1.00 0.00 C ATOM 925 O HIS A 58 5.248 2.443 -1.953 1.00 0.00 O ATOM 926 CB HIS A 58 6.561 -0.235 -1.515 1.00 0.00 C ATOM 927 CG HIS A 58 6.831 -1.492 -0.735 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.686 -2.480 -1.198 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.365 -1.938 0.478 1.00 0.00 C ATOM 930 CE1 HIS A 58 7.709 -3.461 -0.278 1.00 0.00 C ATOM 931 NE2 HIS A 58 6.921 -3.182 0.765 1.00 0.00 N ATOM 0 H HIS A 58 5.200 -0.535 -3.462 1.00 0.00 H new ATOM 0 HA HIS A 58 4.582 -0.425 -0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.855 -0.370 -2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.158 0.586 -1.119 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.204 -2.466 -2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.673 -1.405 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.293 -4.365 -0.371 1.00 0.00 H new ATOM 939 N VAL A 59 4.304 1.926 -0.039 1.00 0.00 N ATOM 940 CA VAL A 59 4.076 3.360 0.304 1.00 0.00 C ATOM 941 C VAL A 59 4.797 3.708 1.607 1.00 0.00 C ATOM 942 O VAL A 59 4.424 3.261 2.672 1.00 0.00 O ATOM 943 CB VAL A 59 2.558 3.519 0.476 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.943 4.001 -0.839 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.912 2.186 0.878 1.00 0.00 C ATOM 0 H VAL A 59 3.977 1.259 0.660 1.00 0.00 H new ATOM 0 HA VAL A 59 4.460 4.024 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 59 2.374 4.249 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.866 4.114 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.380 4.961 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.145 3.272 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.837 2.323 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.101 1.442 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.338 1.845 1.821 1.00 0.00 H new ATOM 1245 N ARG A 76 5.689 0.023 4.052 1.00 0.00 N ATOM 1246 CA ARG A 76 4.240 -0.317 3.966 1.00 0.00 C ATOM 1247 C ARG A 76 3.837 -0.540 2.504 1.00 0.00 C ATOM 1248 O ARG A 76 4.286 0.154 1.614 1.00 0.00 O ATOM 1249 CB ARG A 76 3.513 0.895 4.548 1.00 0.00 C ATOM 1250 CG ARG A 76 2.004 0.713 4.378 1.00 0.00 C ATOM 1251 CD ARG A 76 1.576 -0.611 5.012 1.00 0.00 C ATOM 1252 NE ARG A 76 0.501 -0.245 5.977 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.702 -0.378 7.259 1.00 0.00 C ATOM 1254 NH1 ARG A 76 0.654 -1.562 7.807 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.948 0.672 7.994 1.00 0.00 N ATOM 0 HA ARG A 76 3.996 -1.233 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.760 1.009 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.840 1.805 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.472 1.541 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.743 0.723 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.210 -1.309 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.412 -1.096 5.517 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.392 0.110 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.459 -2.382 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.811 -1.667 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.983 1.597 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.105 0.567 8.996 1.00 0.00 H new ATOM 1269 N LYS A 77 2.999 -1.507 2.250 1.00 0.00 N ATOM 1270 CA LYS A 77 2.572 -1.777 0.846 1.00 0.00 C ATOM 1271 C LYS A 77 1.046 -1.705 0.729 1.00 0.00 C ATOM 1272 O LYS A 77 0.327 -2.351 1.466 1.00 0.00 O ATOM 1273 CB LYS A 77 3.073 -3.194 0.555 1.00 0.00 C ATOM 1274 CG LYS A 77 2.344 -3.763 -0.665 1.00 0.00 C ATOM 1275 CD LYS A 77 2.754 -5.223 -0.868 1.00 0.00 C ATOM 1276 CE LYS A 77 1.612 -5.989 -1.539 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.192 -6.504 -2.811 1.00 0.00 N ATOM 0 H LYS A 77 2.591 -2.123 2.953 1.00 0.00 H new ATOM 0 HA LYS A 77 2.972 -1.048 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.148 -3.179 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.905 -3.834 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.266 -3.693 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.587 -3.179 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.652 -5.277 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.997 -5.680 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.258 -6.804 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.758 -5.339 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.759 -7.421 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.003 -5.827 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.219 -6.624 -2.701 1.00 0.00 H new ATOM 1291 N LYS A 78 0.545 -0.927 -0.193 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.934 -0.821 -0.355 1.00 0.00 C ATOM 1293 C LYS A 78 -1.391 -1.647 -1.565 1.00 0.00 C ATOM 1294 O LYS A 78 -0.644 -1.843 -2.500 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.215 0.667 -0.570 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.600 1.120 -1.895 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.261 2.424 -2.348 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.333 3.400 -1.170 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.664 4.717 -1.782 1.00 0.00 N ATOM 0 H LYS A 78 1.095 -0.361 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.473 -1.205 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.290 0.847 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.799 1.248 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.474 1.266 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.736 0.349 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.692 2.867 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.262 2.223 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.094 3.096 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.386 3.441 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.731 5.439 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.919 4.983 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.574 4.649 -2.281 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.602 -2.151 -1.550 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.075 -2.981 -2.703 1.00 0.00 C ATOM 1315 C ALA A 79 -4.343 -2.424 -3.332 1.00 0.00 C ATOM 1316 O ALA A 79 -5.341 -2.246 -2.674 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.388 -4.343 -2.111 1.00 0.00 C ATOM 0 H ALA A 79 -3.278 -2.025 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.316 -3.005 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.742 -5.009 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.487 -4.760 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.160 -4.240 -1.349 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.321 -2.196 -4.616 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.538 -1.689 -5.305 1.00 0.00 C ATOM 1325 C ILE A 80 -6.233 -2.849 -6.016 1.00 0.00 C ATOM 1326 O ILE A 80 -5.721 -3.403 -6.967 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.032 -0.664 -6.314 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.662 0.627 -5.584 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.130 -0.370 -7.337 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.613 0.340 -4.509 1.00 0.00 C ATOM 0 H ILE A 80 -3.510 -2.340 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.258 -1.246 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.154 -1.060 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.276 1.358 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.551 1.064 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.768 0.363 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.398 -1.290 -7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.007 0.027 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.356 1.266 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.014 -0.375 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.720 -0.076 -4.974 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.390 -3.227 -5.554 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.114 -4.367 -6.195 1.00 0.00 C ATOM 1344 C VAL A 81 -9.202 -3.845 -7.135 1.00 0.00 C ATOM 1345 O VAL A 81 -9.835 -2.844 -6.869 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.747 -5.164 -5.044 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.921 -6.622 -5.474 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.848 -5.110 -3.802 1.00 0.00 C ATOM 0 H VAL A 81 -7.869 -2.799 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.440 -4.984 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.716 -4.727 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.370 -7.190 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.569 -6.668 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.948 -7.047 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.309 -5.679 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.874 -5.539 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.721 -4.074 -3.489 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.432 -4.518 -8.230 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.484 -4.060 -9.173 1.00 0.00 C ATOM 1360 C GLN A 82 -11.472 -5.183 -9.412 1.00 0.00 C ATOM 1361 O GLN A 82 -11.118 -6.345 -9.407 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.756 -3.739 -10.472 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.764 -3.251 -11.515 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.626 -2.140 -10.913 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.198 -1.442 -10.015 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.831 -1.946 -11.374 1.00 0.00 N ATOM 0 H GLN A 82 -8.936 -5.364 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.031 -3.200 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.998 -2.975 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.237 -4.625 -10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.240 -2.882 -12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.394 -4.078 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.189 -2.532 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.415 -1.208 -10.981 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.705 -4.860 -9.638 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.681 -5.936 -9.891 1.00 0.00 C ATOM 1377 C VAL A 83 -14.400 -5.695 -11.214 1.00 0.00 C ATOM 1378 O VAL A 83 -14.477 -4.588 -11.707 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.659 -5.917 -8.717 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.890 -5.710 -7.411 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.663 -4.780 -8.903 1.00 0.00 C ATOM 0 H VAL A 83 -13.075 -3.910 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.195 -6.909 -9.969 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.191 -6.867 -8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.589 -5.697 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.178 -6.524 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.354 -4.762 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.359 -4.769 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.132 -3.829 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.215 -4.930 -9.831 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.911 -6.737 -11.788 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.626 -6.619 -13.086 1.00 0.00 C ATOM 1393 C ALA A 84 -16.564 -5.410 -13.093 1.00 0.00 C ATOM 1394 O ALA A 84 -16.755 -4.755 -12.087 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.421 -7.912 -13.196 1.00 0.00 C ATOM 0 H ALA A 84 -14.865 -7.683 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.940 -6.473 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.984 -7.915 -14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.738 -8.761 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.111 -7.988 -12.356 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.118 -5.165 -14.245 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.051 -4.029 -14.428 1.00 0.00 C ATOM 1403 C PRO A 85 -19.418 -4.357 -13.824 1.00 0.00 C ATOM 1404 O PRO A 85 -20.437 -4.273 -14.481 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.146 -3.887 -15.943 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.803 -5.231 -16.489 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.923 -5.926 -15.480 1.00 0.00 C ATOM 0 HA PRO A 85 -17.715 -3.115 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.148 -3.583 -16.247 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.457 -3.126 -16.310 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.707 -5.812 -16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.287 -5.135 -17.444 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.210 -6.970 -15.354 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.878 -5.918 -15.791 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.445 -4.729 -12.577 1.00 0.00 N ATOM 1416 CA GLY A 86 -20.743 -5.063 -11.924 1.00 0.00 C ATOM 1417 C GLY A 86 -20.530 -5.203 -10.417 1.00 0.00 C ATOM 1418 O GLY A 86 -21.232 -4.611 -9.622 1.00 0.00 O ATOM 0 H GLY A 86 -18.624 -4.817 -11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.477 -4.283 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.141 -5.991 -12.334 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.564 -5.984 -10.018 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.302 -6.164 -8.562 1.00 0.00 C ATOM 1424 C GLN A 87 -19.187 -4.806 -7.872 1.00 0.00 C ATOM 1425 O GLN A 87 -19.300 -3.769 -8.496 1.00 0.00 O ATOM 1426 CB GLN A 87 -17.973 -6.912 -8.492 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.191 -8.365 -8.900 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.626 -8.590 -10.301 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.600 -8.043 -10.647 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.255 -9.380 -11.128 1.00 0.00 N ATOM 0 H GLN A 87 -18.944 -6.506 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.105 -6.706 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.243 -6.443 -9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.568 -6.863 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.703 -9.031 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.254 -8.603 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.118 -9.840 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.884 -9.537 -12.065 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.964 -4.802 -6.587 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.844 -3.505 -5.862 1.00 0.00 C ATOM 1441 C LYS A 88 -18.596 -3.735 -4.370 1.00 0.00 C ATOM 1442 O LYS A 88 -19.519 -3.934 -3.605 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.192 -2.815 -6.074 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.965 -1.354 -6.459 1.00 0.00 C ATOM 1445 CD LYS A 88 -19.059 -0.682 -5.425 1.00 0.00 C ATOM 1446 CE LYS A 88 -17.977 0.128 -6.141 1.00 0.00 C ATOM 1447 NZ LYS A 88 -18.721 1.059 -7.034 1.00 0.00 N ATOM 0 H LYS A 88 -18.860 -5.636 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.007 -2.910 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.754 -3.325 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.789 -2.873 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -19.510 -1.295 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.919 -0.830 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.648 -0.031 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.600 -1.435 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.357 0.674 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.312 -0.520 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.123 1.881 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.973 0.568 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.588 1.380 -6.557 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.364 -3.693 -3.942 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.085 -3.892 -2.491 1.00 0.00 C ATOM 1463 C ILE A 89 -17.712 -2.743 -1.695 1.00 0.00 C ATOM 1464 O ILE A 89 -17.038 -1.824 -1.271 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.559 -3.875 -2.364 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.985 -5.200 -2.881 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.173 -3.696 -0.893 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.510 -5.306 -2.486 1.00 0.00 C ATOM 0 H ILE A 89 -16.545 -3.531 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.501 -4.823 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.156 -3.050 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.545 -6.038 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.087 -5.255 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.087 -3.684 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.579 -2.755 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.578 -4.522 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.102 -6.248 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.956 -4.475 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.421 -5.271 -1.400 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.003 -2.784 -1.504 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.697 -1.695 -0.751 1.00 0.00 C ATOM 1482 C GLU A 90 -19.051 -1.469 0.622 1.00 0.00 C ATOM 1483 O GLU A 90 -19.303 -0.474 1.273 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.136 -2.185 -0.589 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.166 -3.379 0.365 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.583 -3.954 0.421 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.427 -3.337 1.049 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.800 -5.000 -0.169 1.00 0.00 O ATOM 0 H GLU A 90 -19.613 -3.530 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.638 -0.742 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.763 -1.382 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.545 -2.470 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.465 -4.143 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.848 -3.070 1.361 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.231 -2.376 1.075 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.591 -2.192 2.411 1.00 0.00 C ATOM 1497 C ALA A 91 -16.869 -0.842 2.473 1.00 0.00 C ATOM 1498 O ALA A 91 -16.635 -0.304 3.536 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.592 -3.342 2.533 1.00 0.00 C ATOM 0 H ALA A 91 -17.976 -3.232 0.583 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.320 -2.198 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.078 -3.277 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.122 -4.292 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.863 -3.278 1.726 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.521 -0.288 1.343 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.822 1.035 1.345 1.00 0.00 C ATOM 1507 C LEU A 92 -16.787 2.126 0.884 1.00 0.00 C ATOM 1508 O LEU A 92 -16.612 3.292 1.176 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.656 0.919 0.348 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.281 -0.546 0.123 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.023 -0.626 -0.744 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.013 -1.210 1.474 1.00 0.00 C ATOM 0 H LEU A 92 -16.688 -0.690 0.421 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.465 1.292 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.935 1.378 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.792 1.467 0.725 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.099 -1.059 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.757 -1.671 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.213 -0.149 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.202 -0.115 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.745 -2.255 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.193 -0.696 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.909 -1.153 2.092 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.801 1.752 0.154 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.776 2.762 -0.339 1.00 0.00 C ATOM 1526 C GLU A 93 -19.459 3.465 0.837 1.00 0.00 C ATOM 1527 O GLU A 93 -19.492 4.677 0.914 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.795 1.964 -1.153 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.129 1.432 -2.424 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.284 2.457 -3.549 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.865 3.587 -3.356 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.818 2.096 -4.584 1.00 0.00 O ATOM 0 H GLU A 93 -17.996 0.790 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.296 3.540 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.183 1.136 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.645 2.596 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.073 1.236 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.583 0.485 -2.716 1.00 0.00 H new ATOM 1539 N GLY A 94 -20.008 2.714 1.753 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.692 3.340 2.919 1.00 0.00 C ATOM 1541 C GLY A 94 -19.688 3.555 4.054 1.00 0.00 C ATOM 1542 O GLY A 94 -20.042 3.980 5.135 1.00 0.00 O ATOM 0 H GLY A 94 -20.012 1.694 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.133 4.293 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.508 2.703 3.259 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.437 3.267 3.818 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.416 3.459 4.888 1.00 0.00 C ATOM 1548 C LEU A 95 -17.100 4.947 5.057 1.00 0.00 C ATOM 1549 O LEU A 95 -16.546 5.365 6.054 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.180 2.699 4.402 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.059 2.840 5.432 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.604 2.530 6.828 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.934 1.858 5.097 1.00 0.00 C ATOM 0 H LEU A 95 -18.078 2.908 2.933 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.761 3.096 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.422 1.647 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.855 3.090 3.438 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.673 3.859 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.804 2.631 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.407 3.227 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.990 1.511 6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.134 1.957 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.322 0.839 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.544 2.077 4.103 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.447 5.749 4.088 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.167 7.210 4.193 1.00 0.00 C ATOM 1567 C ILE A 96 -17.784 7.776 5.475 1.00 0.00 C ATOM 1568 O ILE A 96 -17.162 8.633 6.081 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.827 7.829 2.962 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.979 7.526 1.724 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.933 9.344 3.146 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.780 7.859 0.463 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.867 7.341 5.830 1.00 0.00 O ATOM 0 H ILE A 96 -17.912 5.457 3.229 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.099 7.424 4.234 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.824 7.408 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.059 8.110 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.689 6.475 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.404 9.785 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.535 9.562 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.936 9.766 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.177 7.643 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.687 7.255 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.047 8.916 0.470 1.00 0.00 H new