USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 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 52 ASN : amide:sc= -0.245 K(o=-1.7,f=-17!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -167:sc= -0.659! (180deg=-2.77!) USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= -0.768 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -160:sc= -3! (180deg=-4.64!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -119:sc= -0.268 (180deg=-1.07) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0105) USER MOD Single : A 13 THR OG1 : rot -125:sc= -2.32! USER MOD Single : A 17 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00689) USER MOD Single : A 26 GLN : amide:sc= -0.236 K(o=-0.24,f=-3.4!) USER MOD Single : A 31 THR OG1 : rot 146:sc= -4.53! USER MOD Single : A 32 ASN : amide:sc= -7.1! C(o=-7.1!,f=-7!) USER MOD Single : A 34 THR OG1 : rot -62:sc= 1.2 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0331) USER MOD Single : A 42 GLN : amide:sc= -9.48! C(o=-9.5!,f=-9!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.943 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.38! C(o=-3.4!,f=-12!) USER MOD Single : A 51 THR OG1 : rot 104:sc= 0.385 USER MOD Single : A 53 TYR OH : rot -110:sc= -1.54 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.32) USER MOD Single : A 64 TYR OH : rot 130:sc= -1.5! USER MOD Single : A 66 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-15!) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -0.285 (180deg=-1.53!) USER MOD Single : A 72 SER OG : rot 44:sc= 1.05 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 77 ASN : amide:sc= -3.7! C(o=-3.7!,f=-1.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.69) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -9.51! C(o=-9.5!,f=-5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.145 -5.845 -9.440 1.00 0.00 N ATOM 87 CA SER A 7 -16.192 -6.663 -8.769 1.00 0.00 C ATOM 88 C SER A 7 -15.791 -6.875 -7.307 1.00 0.00 C ATOM 89 O SER A 7 -16.128 -6.090 -6.442 1.00 0.00 O ATOM 90 CB SER A 7 -16.315 -8.015 -9.473 1.00 0.00 C ATOM 91 OG SER A 7 -17.262 -7.911 -10.528 1.00 0.00 O ATOM 0 HA SER A 7 -17.152 -6.150 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.346 -8.322 -9.867 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.627 -8.781 -8.763 1.00 0.00 H new ATOM 0 HG SER A 7 -17.342 -8.776 -10.982 1.00 0.00 H new ATOM 97 N GLU A 8 -15.066 -7.921 -7.023 1.00 0.00 N ATOM 98 CA GLU A 8 -14.641 -8.165 -5.621 1.00 0.00 C ATOM 99 C GLU A 8 -13.339 -7.419 -5.350 1.00 0.00 C ATOM 100 O GLU A 8 -12.263 -7.954 -5.514 1.00 0.00 O ATOM 101 CB GLU A 8 -14.430 -9.663 -5.389 1.00 0.00 C ATOM 102 CG GLU A 8 -15.788 -10.360 -5.282 1.00 0.00 C ATOM 103 CD GLU A 8 -15.702 -11.484 -4.249 1.00 0.00 C ATOM 104 OE1 GLU A 8 -14.674 -12.138 -4.196 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.668 -11.673 -3.525 1.00 0.00 O ATOM 0 H GLU A 8 -14.751 -8.615 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.417 -7.807 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.853 -10.091 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.855 -9.823 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.556 -9.642 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.079 -10.764 -6.252 1.00 0.00 H new ATOM 112 N ALA A 9 -13.426 -6.182 -4.941 1.00 0.00 N ATOM 113 CA ALA A 9 -12.192 -5.406 -4.665 1.00 0.00 C ATOM 114 C ALA A 9 -12.559 -4.034 -4.092 1.00 0.00 C ATOM 115 O ALA A 9 -13.578 -3.463 -4.427 1.00 0.00 O ATOM 116 CB ALA A 9 -11.418 -5.232 -5.965 1.00 0.00 C ATOM 0 H ALA A 9 -14.300 -5.679 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.577 -5.938 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.509 -4.663 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.156 -6.211 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.035 -4.698 -6.687 1.00 0.00 H new ATOM 122 N LYS A 10 -11.737 -3.504 -3.228 1.00 0.00 N ATOM 123 CA LYS A 10 -12.034 -2.169 -2.631 1.00 0.00 C ATOM 124 C LYS A 10 -10.856 -1.221 -2.889 1.00 0.00 C ATOM 125 O LYS A 10 -9.781 -1.659 -3.250 1.00 0.00 O ATOM 126 CB LYS A 10 -12.250 -2.328 -1.123 1.00 0.00 C ATOM 127 CG LYS A 10 -13.693 -2.762 -0.852 1.00 0.00 C ATOM 128 CD LYS A 10 -14.621 -1.548 -0.937 1.00 0.00 C ATOM 129 CE LYS A 10 -15.877 -1.807 -0.101 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.583 -1.533 1.334 1.00 0.00 N ATOM 0 H LYS A 10 -10.871 -3.938 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.934 -1.754 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.556 -3.067 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.041 -1.387 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.998 -3.517 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.766 -3.220 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.107 -0.658 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.895 -1.358 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.693 -1.171 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.204 -2.839 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.245 -2.068 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.608 -1.824 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.691 -0.516 1.522 1.00 0.00 H new ATOM 144 N PRO A 11 -11.097 0.053 -2.705 1.00 0.00 N ATOM 145 CA PRO A 11 -10.073 1.094 -2.920 1.00 0.00 C ATOM 146 C PRO A 11 -9.079 1.139 -1.752 1.00 0.00 C ATOM 147 O PRO A 11 -9.407 1.555 -0.661 1.00 0.00 O ATOM 148 CB PRO A 11 -10.887 2.387 -3.001 1.00 0.00 C ATOM 149 CG PRO A 11 -12.227 2.106 -2.280 1.00 0.00 C ATOM 150 CD PRO A 11 -12.408 0.576 -2.268 1.00 0.00 C ATOM 0 HA PRO A 11 -9.470 0.918 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.355 3.211 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.057 2.674 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.211 2.502 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.055 2.590 -2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.670 0.214 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.206 0.264 -2.942 1.00 0.00 H new ATOM 158 N ALA A 12 -7.864 0.717 -2.003 1.00 0.00 N ATOM 159 CA ALA A 12 -6.793 0.716 -0.955 1.00 0.00 C ATOM 160 C ALA A 12 -7.381 0.532 0.451 1.00 0.00 C ATOM 161 O ALA A 12 -7.870 1.466 1.054 1.00 0.00 O ATOM 162 CB ALA A 12 -6.034 2.036 -0.997 1.00 0.00 C ATOM 0 H ALA A 12 -7.562 0.365 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.124 -0.118 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.256 2.033 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.579 2.163 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.724 2.859 -0.808 1.00 0.00 H new ATOM 168 N THR A 13 -7.313 -0.652 0.990 1.00 0.00 N ATOM 169 CA THR A 13 -7.847 -0.876 2.367 1.00 0.00 C ATOM 170 C THR A 13 -6.846 -0.312 3.376 1.00 0.00 C ATOM 171 O THR A 13 -5.733 0.014 3.019 1.00 0.00 O ATOM 172 CB THR A 13 -8.019 -2.379 2.608 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.578 -3.101 1.469 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.492 -2.686 2.882 1.00 0.00 C ATOM 0 H THR A 13 -6.912 -1.475 0.540 1.00 0.00 H new ATOM 0 HA THR A 13 -8.811 -0.380 2.479 1.00 0.00 H new ATOM 0 HB THR A 13 -7.423 -2.679 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.298 -3.686 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.615 -3.755 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.820 -2.137 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.092 -2.385 2.023 1.00 0.00 H new ATOM 182 N PRO A 14 -7.252 -0.244 4.617 1.00 0.00 N ATOM 183 CA PRO A 14 -6.377 0.236 5.696 1.00 0.00 C ATOM 184 C PRO A 14 -5.352 -0.863 5.986 1.00 0.00 C ATOM 185 O PRO A 14 -4.406 -0.690 6.727 1.00 0.00 O ATOM 186 CB PRO A 14 -7.335 0.461 6.870 1.00 0.00 C ATOM 187 CG PRO A 14 -8.583 -0.406 6.582 1.00 0.00 C ATOM 188 CD PRO A 14 -8.599 -0.654 5.062 1.00 0.00 C ATOM 0 HA PRO A 14 -5.819 1.145 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.870 0.172 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.604 1.514 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.536 -1.348 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.492 0.103 6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.794 -1.701 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.377 -0.069 4.571 1.00 0.00 H new ATOM 196 N GLU A 15 -5.557 -1.997 5.369 1.00 0.00 N ATOM 197 CA GLU A 15 -4.650 -3.154 5.526 1.00 0.00 C ATOM 198 C GLU A 15 -3.711 -3.191 4.321 1.00 0.00 C ATOM 199 O GLU A 15 -2.507 -3.071 4.439 1.00 0.00 O ATOM 200 CB GLU A 15 -5.517 -4.411 5.523 1.00 0.00 C ATOM 201 CG GLU A 15 -4.656 -5.647 5.256 1.00 0.00 C ATOM 202 CD GLU A 15 -5.480 -6.908 5.517 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.420 -6.828 6.291 1.00 0.00 O ATOM 204 OE2 GLU A 15 -5.158 -7.934 4.941 1.00 0.00 O ATOM 0 H GLU A 15 -6.345 -2.166 4.743 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.069 -3.087 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.025 -4.513 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.291 -4.326 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.299 -5.639 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.775 -5.636 5.898 1.00 0.00 H new ATOM 211 N ILE A 16 -4.277 -3.351 3.157 1.00 0.00 N ATOM 212 CA ILE A 16 -3.458 -3.393 1.909 1.00 0.00 C ATOM 213 C ILE A 16 -2.549 -2.176 1.858 1.00 0.00 C ATOM 214 O ILE A 16 -1.371 -2.279 1.597 1.00 0.00 O ATOM 215 CB ILE A 16 -4.383 -3.368 0.694 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.344 -4.551 0.779 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.550 -3.481 -0.584 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.555 -5.856 0.643 1.00 0.00 C ATOM 0 H ILE A 16 -5.281 -3.456 3.014 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.859 -4.304 1.902 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.945 -2.434 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.878 -4.533 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.094 -4.482 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.210 -3.463 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.854 -2.644 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.991 -4.417 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.239 -6.703 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.041 -5.872 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.822 -5.924 1.447 1.00 0.00 H new ATOM 230 N GLN A 17 -3.091 -1.022 2.094 1.00 0.00 N ATOM 231 CA GLN A 17 -2.261 0.203 2.055 1.00 0.00 C ATOM 232 C GLN A 17 -1.130 0.074 3.078 1.00 0.00 C ATOM 233 O GLN A 17 -0.036 0.562 2.874 1.00 0.00 O ATOM 234 CB GLN A 17 -3.141 1.414 2.363 1.00 0.00 C ATOM 235 CG GLN A 17 -3.356 1.547 3.874 1.00 0.00 C ATOM 236 CD GLN A 17 -4.071 2.866 4.173 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.034 3.349 5.287 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.728 3.472 3.222 1.00 0.00 N ATOM 0 H GLN A 17 -4.076 -0.874 2.313 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.822 0.335 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.674 2.319 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.102 1.310 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.947 0.709 4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.398 1.515 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.760 3.067 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.210 4.350 3.415 1.00 0.00 H new ATOM 247 N GLU A 18 -1.377 -0.598 4.172 1.00 0.00 N ATOM 248 CA GLU A 18 -0.304 -0.775 5.187 1.00 0.00 C ATOM 249 C GLU A 18 0.861 -1.516 4.532 1.00 0.00 C ATOM 250 O GLU A 18 2.013 -1.284 4.840 1.00 0.00 O ATOM 251 CB GLU A 18 -0.837 -1.591 6.367 1.00 0.00 C ATOM 252 CG GLU A 18 0.276 -1.782 7.400 1.00 0.00 C ATOM 253 CD GLU A 18 0.489 -0.478 8.171 1.00 0.00 C ATOM 254 OE1 GLU A 18 -0.034 0.536 7.740 1.00 0.00 O ATOM 255 OE2 GLU A 18 1.173 -0.515 9.180 1.00 0.00 O ATOM 0 H GLU A 18 -2.272 -1.029 4.403 1.00 0.00 H new ATOM 0 HA GLU A 18 0.028 0.196 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.686 -1.081 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.196 -2.560 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.013 -2.585 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.200 -2.078 6.903 1.00 0.00 H new ATOM 262 N ILE A 19 0.564 -2.397 3.613 1.00 0.00 N ATOM 263 CA ILE A 19 1.645 -3.138 2.908 1.00 0.00 C ATOM 264 C ILE A 19 2.480 -2.118 2.135 1.00 0.00 C ATOM 265 O ILE A 19 3.681 -2.242 1.992 1.00 0.00 O ATOM 266 CB ILE A 19 1.015 -4.152 1.932 1.00 0.00 C ATOM 267 CG1 ILE A 19 1.953 -5.352 1.775 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.781 -3.513 0.554 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.256 -4.897 1.114 1.00 0.00 C ATOM 0 H ILE A 19 -0.384 -2.634 3.321 1.00 0.00 H new ATOM 0 HA ILE A 19 2.272 -3.679 3.617 1.00 0.00 H new ATOM 0 HB ILE A 19 0.055 -4.472 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.162 -5.794 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.476 -6.124 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.336 -4.248 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.108 -2.662 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.733 -3.176 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.924 -5.751 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.038 -4.475 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.735 -4.141 1.736 1.00 0.00 H new ATOM 281 N VAL A 20 1.825 -1.110 1.638 1.00 0.00 N ATOM 282 CA VAL A 20 2.520 -0.052 0.865 1.00 0.00 C ATOM 283 C VAL A 20 3.416 0.746 1.812 1.00 0.00 C ATOM 284 O VAL A 20 4.341 1.408 1.397 1.00 0.00 O ATOM 285 CB VAL A 20 1.457 0.854 0.230 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.046 2.228 -0.110 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.934 0.192 -1.048 1.00 0.00 C ATOM 0 H VAL A 20 0.819 -0.974 1.738 1.00 0.00 H new ATOM 0 HA VAL A 20 3.141 -0.483 0.080 1.00 0.00 H new ATOM 0 HB VAL A 20 0.643 0.994 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.275 2.854 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.413 2.702 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.870 2.107 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.178 0.830 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.758 0.048 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.493 -0.774 -0.803 1.00 0.00 H new ATOM 297 N ASP A 21 3.153 0.680 3.087 1.00 0.00 N ATOM 298 CA ASP A 21 3.999 1.421 4.065 1.00 0.00 C ATOM 299 C ASP A 21 4.988 0.451 4.723 1.00 0.00 C ATOM 300 O ASP A 21 5.696 0.803 5.646 1.00 0.00 O ATOM 301 CB ASP A 21 3.108 2.046 5.140 1.00 0.00 C ATOM 302 CG ASP A 21 3.686 3.400 5.557 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.875 3.596 5.373 1.00 0.00 O ATOM 304 OD2 ASP A 21 2.929 4.218 6.054 1.00 0.00 O ATOM 0 H ASP A 21 2.387 0.144 3.495 1.00 0.00 H new ATOM 0 HA ASP A 21 4.549 2.206 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.095 2.173 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.043 1.384 6.004 1.00 0.00 H new ATOM 309 N LYS A 22 5.037 -0.772 4.259 1.00 0.00 N ATOM 310 CA LYS A 22 5.974 -1.765 4.864 1.00 0.00 C ATOM 311 C LYS A 22 6.958 -2.272 3.806 1.00 0.00 C ATOM 312 O LYS A 22 8.146 -2.033 3.889 1.00 0.00 O ATOM 313 CB LYS A 22 5.170 -2.947 5.411 1.00 0.00 C ATOM 314 CG LYS A 22 5.468 -3.118 6.900 1.00 0.00 C ATOM 315 CD LYS A 22 4.255 -2.678 7.719 1.00 0.00 C ATOM 316 CE LYS A 22 4.726 -1.955 8.981 1.00 0.00 C ATOM 317 NZ LYS A 22 4.999 -0.525 8.661 1.00 0.00 N ATOM 0 H LYS A 22 4.469 -1.125 3.489 1.00 0.00 H new ATOM 0 HA LYS A 22 6.531 -1.287 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.104 -2.777 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.428 -3.858 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.707 -4.159 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.341 -2.526 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.621 -2.019 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.651 -3.544 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.966 -2.026 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.626 -2.430 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.319 -0.032 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.739 -0.467 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.130 -0.076 8.308 1.00 0.00 H new ATOM 331 N VAL A 23 6.474 -2.974 2.817 1.00 0.00 N ATOM 332 CA VAL A 23 7.374 -3.497 1.755 1.00 0.00 C ATOM 333 C VAL A 23 7.649 -2.389 0.746 1.00 0.00 C ATOM 334 O VAL A 23 8.555 -2.472 -0.061 1.00 0.00 O ATOM 335 CB VAL A 23 6.683 -4.661 1.056 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.658 -5.332 0.096 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.220 -5.668 2.103 1.00 0.00 C ATOM 0 H VAL A 23 5.488 -3.208 2.701 1.00 0.00 H new ATOM 0 HA VAL A 23 8.315 -3.834 2.191 1.00 0.00 H new ATOM 0 HB VAL A 23 5.823 -4.294 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.162 -6.164 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.991 -4.609 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.519 -5.703 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.724 -6.504 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.082 -6.035 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.523 -5.186 2.788 1.00 0.00 H new ATOM 347 N LYS A 24 6.870 -1.349 0.790 1.00 0.00 N ATOM 348 CA LYS A 24 7.067 -0.221 -0.154 1.00 0.00 C ATOM 349 C LYS A 24 7.052 1.091 0.642 1.00 0.00 C ATOM 350 O LYS A 24 6.276 1.977 0.353 1.00 0.00 O ATOM 351 CB LYS A 24 5.930 -0.217 -1.181 1.00 0.00 C ATOM 352 CG LYS A 24 5.473 -1.652 -1.464 1.00 0.00 C ATOM 353 CD LYS A 24 6.498 -2.344 -2.366 1.00 0.00 C ATOM 354 CE LYS A 24 5.800 -3.424 -3.198 1.00 0.00 C ATOM 355 NZ LYS A 24 6.748 -4.545 -3.454 1.00 0.00 N ATOM 0 H LYS A 24 6.098 -1.232 1.446 1.00 0.00 H new ATOM 0 HA LYS A 24 8.019 -0.326 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.093 0.373 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.265 0.255 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.365 -2.202 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.495 -1.646 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.972 -1.614 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.288 -2.790 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.920 -3.792 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.454 -3.004 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.291 -5.255 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.598 -4.179 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.018 -4.985 -2.551 1.00 0.00 H new ATOM 369 N PRO A 25 7.910 1.170 1.637 1.00 0.00 N ATOM 370 CA PRO A 25 8.005 2.354 2.517 1.00 0.00 C ATOM 371 C PRO A 25 8.639 3.528 1.780 1.00 0.00 C ATOM 372 O PRO A 25 8.786 4.607 2.319 1.00 0.00 O ATOM 373 CB PRO A 25 8.885 1.878 3.676 1.00 0.00 C ATOM 374 CG PRO A 25 9.688 0.672 3.140 1.00 0.00 C ATOM 375 CD PRO A 25 8.879 0.103 1.960 1.00 0.00 C ATOM 0 HA PRO A 25 7.033 2.713 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.552 2.673 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.277 1.591 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.682 0.980 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.824 -0.081 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.521 -0.123 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.375 -0.824 2.233 1.00 0.00 H new ATOM 383 N GLN A 26 8.975 3.342 0.541 1.00 0.00 N ATOM 384 CA GLN A 26 9.549 4.453 -0.245 1.00 0.00 C ATOM 385 C GLN A 26 8.508 4.789 -1.284 1.00 0.00 C ATOM 386 O GLN A 26 8.177 5.918 -1.516 1.00 0.00 O ATOM 387 CB GLN A 26 10.844 4.003 -0.925 1.00 0.00 C ATOM 388 CG GLN A 26 11.677 3.178 0.059 1.00 0.00 C ATOM 389 CD GLN A 26 12.369 4.115 1.052 1.00 0.00 C ATOM 390 OE1 GLN A 26 12.117 5.304 1.061 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.237 3.625 1.895 1.00 0.00 N ATOM 0 H GLN A 26 8.875 2.461 0.037 1.00 0.00 H new ATOM 0 HA GLN A 26 9.791 5.312 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.615 3.410 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.412 4.871 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.038 2.474 0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.419 2.590 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.448 2.627 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.704 4.240 2.561 1.00 0.00 H new ATOM 400 N LEU A 27 7.962 3.782 -1.875 1.00 0.00 N ATOM 401 CA LEU A 27 6.910 3.974 -2.884 1.00 0.00 C ATOM 402 C LEU A 27 5.713 4.678 -2.230 1.00 0.00 C ATOM 403 O LEU A 27 4.850 5.221 -2.892 1.00 0.00 O ATOM 404 CB LEU A 27 6.490 2.584 -3.342 1.00 0.00 C ATOM 405 CG LEU A 27 7.592 1.909 -4.185 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.361 2.238 -5.653 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.996 2.392 -3.797 1.00 0.00 C ATOM 0 H LEU A 27 8.208 2.808 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 27 7.261 4.577 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.266 1.966 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.574 2.654 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 27 7.538 0.836 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.135 1.765 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.383 1.866 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.399 3.318 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.738 1.889 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.065 3.469 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.183 2.161 -2.748 1.00 0.00 H new ATOM 419 N GLU A 28 5.654 4.636 -0.926 1.00 0.00 N ATOM 420 CA GLU A 28 4.512 5.258 -0.185 1.00 0.00 C ATOM 421 C GLU A 28 4.821 6.701 0.237 1.00 0.00 C ATOM 422 O GLU A 28 3.947 7.415 0.688 1.00 0.00 O ATOM 423 CB GLU A 28 4.215 4.431 1.067 1.00 0.00 C ATOM 424 CG GLU A 28 2.998 5.015 1.786 1.00 0.00 C ATOM 425 CD GLU A 28 3.448 5.720 3.067 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.644 5.807 3.283 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.586 6.160 3.810 1.00 0.00 O ATOM 0 H GLU A 28 6.356 4.192 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 28 3.651 5.276 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.026 3.393 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.079 4.434 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.481 5.719 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.289 4.222 2.025 1.00 0.00 H new ATOM 434 N GLU A 29 6.039 7.147 0.108 1.00 0.00 N ATOM 435 CA GLU A 29 6.357 8.544 0.519 1.00 0.00 C ATOM 436 C GLU A 29 7.349 9.095 -0.485 1.00 0.00 C ATOM 437 O GLU A 29 8.277 9.807 -0.156 1.00 0.00 O ATOM 438 CB GLU A 29 6.978 8.548 1.918 1.00 0.00 C ATOM 439 CG GLU A 29 8.362 7.895 1.868 1.00 0.00 C ATOM 440 CD GLU A 29 8.879 7.685 3.291 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.090 7.289 4.134 1.00 0.00 O ATOM 442 OE2 GLU A 29 10.054 7.922 3.515 1.00 0.00 O ATOM 0 H GLU A 29 6.823 6.610 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 29 5.453 9.153 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.060 9.570 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.335 8.009 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.306 6.940 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.053 8.525 1.308 1.00 0.00 H new ATOM 449 N LYS A 30 7.163 8.725 -1.710 1.00 0.00 N ATOM 450 CA LYS A 30 8.081 9.154 -2.783 1.00 0.00 C ATOM 451 C LYS A 30 7.295 9.885 -3.848 1.00 0.00 C ATOM 452 O LYS A 30 7.468 11.070 -4.061 1.00 0.00 O ATOM 453 CB LYS A 30 8.690 7.891 -3.365 1.00 0.00 C ATOM 454 CG LYS A 30 10.019 8.208 -4.050 1.00 0.00 C ATOM 455 CD LYS A 30 10.115 7.419 -5.358 1.00 0.00 C ATOM 456 CE LYS A 30 10.241 8.385 -6.540 1.00 0.00 C ATOM 457 NZ LYS A 30 9.370 9.573 -6.312 1.00 0.00 N ATOM 0 H LYS A 30 6.395 8.129 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 30 8.855 9.822 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.847 7.157 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.001 7.444 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.092 9.277 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.850 7.949 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.977 6.752 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.231 6.793 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.278 8.699 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.954 7.884 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.187 10.048 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.469 9.267 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.846 10.234 -5.665 1.00 0.00 H new ATOM 471 N THR A 31 6.413 9.191 -4.501 1.00 0.00 N ATOM 472 CA THR A 31 5.578 9.844 -5.536 1.00 0.00 C ATOM 473 C THR A 31 5.103 11.173 -4.961 1.00 0.00 C ATOM 474 O THR A 31 4.916 12.145 -5.665 1.00 0.00 O ATOM 475 CB THR A 31 4.400 8.925 -5.859 1.00 0.00 C ATOM 476 OG1 THR A 31 3.940 9.188 -7.177 1.00 0.00 O ATOM 477 CG2 THR A 31 3.252 9.136 -4.868 1.00 0.00 C ATOM 0 H THR A 31 6.234 8.196 -4.362 1.00 0.00 H new ATOM 0 HA THR A 31 6.131 10.025 -6.458 1.00 0.00 H new ATOM 0 HB THR A 31 4.739 7.892 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.617 8.356 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.427 8.470 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.599 8.918 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.912 10.170 -4.920 1.00 0.00 H new ATOM 485 N ASN A 32 4.955 11.207 -3.659 1.00 0.00 N ATOM 486 CA ASN A 32 4.541 12.452 -2.963 1.00 0.00 C ATOM 487 C ASN A 32 3.573 13.242 -3.840 1.00 0.00 C ATOM 488 O ASN A 32 3.603 14.456 -3.883 1.00 0.00 O ATOM 489 CB ASN A 32 5.802 13.272 -2.673 1.00 0.00 C ATOM 490 CG ASN A 32 6.403 13.782 -3.987 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.733 14.421 -4.771 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.652 13.522 -4.259 1.00 0.00 N ATOM 0 H ASN A 32 5.108 10.408 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 32 4.030 12.217 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.559 14.113 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.531 12.660 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.064 13.856 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.216 12.985 -3.601 1.00 0.00 H new ATOM 499 N GLU A 33 2.711 12.560 -4.542 1.00 0.00 N ATOM 500 CA GLU A 33 1.744 13.274 -5.424 1.00 0.00 C ATOM 501 C GLU A 33 0.921 14.255 -4.591 1.00 0.00 C ATOM 502 O GLU A 33 0.887 14.177 -3.378 1.00 0.00 O ATOM 503 CB GLU A 33 0.810 12.258 -6.088 1.00 0.00 C ATOM 504 CG GLU A 33 0.698 12.567 -7.581 1.00 0.00 C ATOM 505 CD GLU A 33 2.051 12.329 -8.255 1.00 0.00 C ATOM 506 OE1 GLU A 33 3.011 12.091 -7.540 1.00 0.00 O ATOM 507 OE2 GLU A 33 2.103 12.388 -9.473 1.00 0.00 O ATOM 0 H GLU A 33 2.634 11.543 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 33 2.290 13.821 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.192 11.248 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.175 12.296 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.064 11.935 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.384 13.601 -7.727 1.00 0.00 H new ATOM 514 N THR A 34 0.249 15.177 -5.228 1.00 0.00 N ATOM 515 CA THR A 34 -0.574 16.156 -4.464 1.00 0.00 C ATOM 516 C THR A 34 -1.991 15.605 -4.313 1.00 0.00 C ATOM 517 O THR A 34 -2.960 16.338 -4.268 1.00 0.00 O ATOM 518 CB THR A 34 -0.613 17.496 -5.203 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.534 18.364 -4.560 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.045 17.270 -6.653 1.00 0.00 C ATOM 0 H THR A 34 0.235 15.293 -6.241 1.00 0.00 H new ATOM 0 HA THR A 34 -0.134 16.312 -3.479 1.00 0.00 H new ATOM 0 HB THR A 34 0.379 17.947 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.433 17.976 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.072 18.225 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.334 16.606 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.037 16.818 -6.671 1.00 0.00 H new ATOM 528 N TYR A 35 -2.108 14.312 -4.220 1.00 0.00 N ATOM 529 CA TYR A 35 -3.444 13.678 -4.056 1.00 0.00 C ATOM 530 C TYR A 35 -3.320 12.533 -3.061 1.00 0.00 C ATOM 531 O TYR A 35 -2.427 12.498 -2.238 1.00 0.00 O ATOM 532 CB TYR A 35 -3.922 13.094 -5.391 1.00 0.00 C ATOM 533 CG TYR A 35 -3.384 13.909 -6.543 1.00 0.00 C ATOM 534 CD1 TYR A 35 -3.946 15.156 -6.841 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.330 13.414 -7.320 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.454 15.908 -7.915 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.837 14.167 -8.393 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.399 15.414 -8.691 1.00 0.00 C ATOM 539 OH TYR A 35 -1.916 16.154 -9.750 1.00 0.00 O ATOM 0 H TYR A 35 -1.325 13.659 -4.251 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.153 14.429 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.591 12.060 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.012 13.084 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.759 15.538 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.897 12.451 -7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.889 16.870 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.023 13.785 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.183 15.667 -10.182 1.00 0.00 H new ATOM 549 N GLY A 36 -4.196 11.580 -3.154 1.00 0.00 N ATOM 550 CA GLY A 36 -4.127 10.411 -2.245 1.00 0.00 C ATOM 551 C GLY A 36 -3.769 9.188 -3.082 1.00 0.00 C ATOM 552 O GLY A 36 -4.603 8.352 -3.364 1.00 0.00 O ATOM 0 H GLY A 36 -4.963 11.560 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.379 10.575 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.082 10.262 -1.741 1.00 0.00 H new ATOM 556 N LYS A 37 -2.531 9.070 -3.482 1.00 0.00 N ATOM 557 CA LYS A 37 -2.132 7.902 -4.293 1.00 0.00 C ATOM 558 C LYS A 37 -0.801 7.415 -3.741 1.00 0.00 C ATOM 559 O LYS A 37 0.034 6.891 -4.427 1.00 0.00 O ATOM 560 CB LYS A 37 -1.981 8.302 -5.761 1.00 0.00 C ATOM 561 CG LYS A 37 -3.355 8.305 -6.434 1.00 0.00 C ATOM 562 CD LYS A 37 -3.995 9.685 -6.286 1.00 0.00 C ATOM 563 CE LYS A 37 -3.775 10.489 -7.570 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.736 10.032 -8.613 1.00 0.00 N ATOM 0 H LYS A 37 -1.785 9.735 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.886 7.117 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.526 9.290 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.316 7.606 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.255 8.051 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.994 7.546 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.062 9.584 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.560 10.210 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.913 11.552 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.751 10.360 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.755 10.720 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.438 9.104 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.686 9.952 -8.198 1.00 0.00 H new ATOM 578 N LEU A 38 -0.613 7.624 -2.490 1.00 0.00 N ATOM 579 CA LEU A 38 0.631 7.241 -1.826 1.00 0.00 C ATOM 580 C LEU A 38 0.307 6.107 -0.872 1.00 0.00 C ATOM 581 O LEU A 38 0.430 6.242 0.326 1.00 0.00 O ATOM 582 CB LEU A 38 1.073 8.443 -1.023 1.00 0.00 C ATOM 583 CG LEU A 38 0.813 9.755 -1.797 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.925 9.556 -3.315 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.561 10.320 -1.435 1.00 0.00 C ATOM 0 H LEU A 38 -1.300 8.063 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 38 1.403 6.932 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.539 8.466 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.135 8.359 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 38 1.583 10.468 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.735 10.503 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.927 9.207 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.192 8.817 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.731 11.244 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.332 9.595 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.600 10.524 -0.365 1.00 0.00 H new ATOM 597 N GLU A 39 -0.165 5.016 -1.384 1.00 0.00 N ATOM 598 CA GLU A 39 -0.567 3.906 -0.490 1.00 0.00 C ATOM 599 C GLU A 39 -1.044 2.747 -1.357 1.00 0.00 C ATOM 600 O GLU A 39 -0.660 2.623 -2.502 1.00 0.00 O ATOM 601 CB GLU A 39 -1.718 4.414 0.387 1.00 0.00 C ATOM 602 CG GLU A 39 -1.377 4.226 1.871 1.00 0.00 C ATOM 603 CD GLU A 39 -0.778 5.515 2.433 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.530 6.452 2.640 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.423 5.544 2.649 1.00 0.00 O ATOM 0 H GLU A 39 -0.291 4.843 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 39 0.260 3.572 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.905 5.468 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.634 3.875 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.275 3.958 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.671 3.404 1.990 1.00 0.00 H new ATOM 612 N ALA A 40 -1.898 1.920 -0.845 1.00 0.00 N ATOM 613 CA ALA A 40 -2.409 0.803 -1.679 1.00 0.00 C ATOM 614 C ALA A 40 -3.411 1.371 -2.685 1.00 0.00 C ATOM 615 O ALA A 40 -3.980 2.422 -2.482 1.00 0.00 O ATOM 616 CB ALA A 40 -3.109 -0.232 -0.798 1.00 0.00 C ATOM 0 H ALA A 40 -2.264 1.964 0.106 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.580 0.321 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.480 -1.047 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.402 -0.625 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.944 0.238 -0.279 1.00 0.00 H new ATOM 622 N VAL A 41 -3.631 0.681 -3.764 1.00 0.00 N ATOM 623 CA VAL A 41 -4.598 1.171 -4.780 1.00 0.00 C ATOM 624 C VAL A 41 -5.900 0.411 -4.590 1.00 0.00 C ATOM 625 O VAL A 41 -6.979 0.930 -4.794 1.00 0.00 O ATOM 626 CB VAL A 41 -4.023 0.916 -6.188 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.903 -0.050 -6.968 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.958 2.231 -6.958 1.00 0.00 C ATOM 0 H VAL A 41 -3.180 -0.206 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.777 2.240 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.028 0.486 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.476 -0.213 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.961 -1.000 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.904 0.370 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.552 2.050 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.960 2.651 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.316 2.933 -6.426 1.00 0.00 H new ATOM 638 N GLN A 42 -5.792 -0.830 -4.226 1.00 0.00 N ATOM 639 CA GLN A 42 -7.013 -1.654 -4.044 1.00 0.00 C ATOM 640 C GLN A 42 -6.611 -3.121 -3.950 1.00 0.00 C ATOM 641 O GLN A 42 -5.503 -3.500 -4.277 1.00 0.00 O ATOM 642 CB GLN A 42 -7.959 -1.402 -5.244 1.00 0.00 C ATOM 643 CG GLN A 42 -8.471 -2.720 -5.869 1.00 0.00 C ATOM 644 CD GLN A 42 -7.316 -3.420 -6.591 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.636 -2.825 -7.403 1.00 0.00 O ATOM 646 NE2 GLN A 42 -7.071 -4.673 -6.323 1.00 0.00 N ATOM 0 H GLN A 42 -4.911 -1.311 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.535 -1.385 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.809 -0.803 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.434 -0.822 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.877 -3.370 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.281 -2.514 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.644 -5.170 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.307 -5.156 -6.796 1.00 0.00 H new ATOM 655 N TYR A 43 -7.511 -3.945 -3.521 1.00 0.00 N ATOM 656 CA TYR A 43 -7.204 -5.385 -3.415 1.00 0.00 C ATOM 657 C TYR A 43 -8.453 -6.181 -3.761 1.00 0.00 C ATOM 658 O TYR A 43 -9.470 -6.080 -3.101 1.00 0.00 O ATOM 659 CB TYR A 43 -6.772 -5.708 -1.994 1.00 0.00 C ATOM 660 CG TYR A 43 -7.916 -5.411 -1.053 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.406 -4.102 -0.928 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.496 -6.446 -0.313 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.475 -3.836 -0.067 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.563 -6.178 0.552 1.00 0.00 C ATOM 665 CZ TYR A 43 -10.053 -4.874 0.675 1.00 0.00 C ATOM 666 OH TYR A 43 -11.105 -4.611 1.527 1.00 0.00 O ATOM 0 H TYR A 43 -8.454 -3.680 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.399 -5.644 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.484 -6.756 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.898 -5.116 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.958 -3.301 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.120 -7.454 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.855 -2.829 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.008 -6.978 1.125 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.388 -5.442 1.964 1.00 0.00 H new ATOM 676 N LYS A 44 -8.392 -6.972 -4.789 1.00 0.00 N ATOM 677 CA LYS A 44 -9.577 -7.773 -5.164 1.00 0.00 C ATOM 678 C LYS A 44 -9.429 -9.150 -4.510 1.00 0.00 C ATOM 679 O LYS A 44 -8.339 -9.652 -4.358 1.00 0.00 O ATOM 680 CB LYS A 44 -9.672 -7.866 -6.706 1.00 0.00 C ATOM 681 CG LYS A 44 -9.714 -9.323 -7.204 1.00 0.00 C ATOM 682 CD LYS A 44 -11.130 -9.894 -7.048 1.00 0.00 C ATOM 683 CE LYS A 44 -12.107 -9.110 -7.924 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.509 -9.947 -9.089 1.00 0.00 N ATOM 0 H LYS A 44 -7.573 -7.097 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.501 -7.312 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.566 -7.343 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.817 -7.357 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.409 -9.367 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.005 -9.929 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.140 -10.947 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.440 -9.840 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.986 -8.828 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.642 -8.186 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.174 -9.415 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.666 -10.195 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.968 -10.816 -8.750 1.00 0.00 H new ATOM 698 N THR A 45 -10.498 -9.761 -4.108 1.00 0.00 N ATOM 699 CA THR A 45 -10.370 -11.093 -3.455 1.00 0.00 C ATOM 700 C THR A 45 -11.022 -12.173 -4.318 1.00 0.00 C ATOM 701 O THR A 45 -12.152 -12.048 -4.750 1.00 0.00 O ATOM 702 CB THR A 45 -11.055 -11.052 -2.087 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.943 -9.942 -2.038 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.002 -10.913 -0.988 1.00 0.00 C ATOM 0 H THR A 45 -11.449 -9.405 -4.199 1.00 0.00 H new ATOM 0 HA THR A 45 -9.313 -11.330 -3.335 1.00 0.00 H new ATOM 0 HB THR A 45 -11.615 -11.975 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.384 -9.914 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.493 -10.884 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.322 -11.764 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.439 -9.992 -1.138 1.00 0.00 H new ATOM 712 N GLN A 46 -10.314 -13.241 -4.557 1.00 0.00 N ATOM 713 CA GLN A 46 -10.871 -14.352 -5.376 1.00 0.00 C ATOM 714 C GLN A 46 -10.242 -15.665 -4.906 1.00 0.00 C ATOM 715 O GLN A 46 -9.038 -15.795 -4.853 1.00 0.00 O ATOM 716 CB GLN A 46 -10.540 -14.121 -6.851 1.00 0.00 C ATOM 717 CG GLN A 46 -9.020 -14.072 -7.027 1.00 0.00 C ATOM 718 CD GLN A 46 -8.641 -12.856 -7.873 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.440 -11.959 -8.064 1.00 0.00 O ATOM 720 NE2 GLN A 46 -7.445 -12.784 -8.392 1.00 0.00 N ATOM 0 H GLN A 46 -9.365 -13.393 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.954 -14.394 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.962 -14.920 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.988 -13.188 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.533 -14.017 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.670 -14.986 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.774 -13.535 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.182 -11.976 -8.957 1.00 0.00 H new ATOM 729 N VAL A 47 -11.043 -16.633 -4.557 1.00 0.00 N ATOM 730 CA VAL A 47 -10.480 -17.936 -4.080 1.00 0.00 C ATOM 731 C VAL A 47 -9.584 -18.534 -5.146 1.00 0.00 C ATOM 732 O VAL A 47 -9.031 -17.831 -5.966 1.00 0.00 O ATOM 733 CB VAL A 47 -11.609 -18.917 -3.732 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.160 -19.822 -2.581 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.861 -18.147 -3.296 1.00 0.00 C ATOM 0 H VAL A 47 -12.061 -16.583 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.892 -17.751 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.840 -19.516 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.960 -20.519 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.273 -20.380 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.926 -19.212 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.655 -18.852 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.630 -17.543 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.190 -17.497 -4.107 1.00 0.00 H new ATOM 745 N VAL A 48 -9.406 -19.826 -5.100 1.00 0.00 N ATOM 746 CA VAL A 48 -8.508 -20.514 -6.063 1.00 0.00 C ATOM 747 C VAL A 48 -8.227 -21.909 -5.508 1.00 0.00 C ATOM 748 O VAL A 48 -8.327 -22.916 -6.180 1.00 0.00 O ATOM 749 CB VAL A 48 -7.192 -19.705 -6.162 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.039 -20.389 -5.419 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.816 -19.517 -7.633 1.00 0.00 C ATOM 0 H VAL A 48 -9.854 -20.442 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.957 -20.590 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.361 -18.737 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.136 -19.786 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.296 -20.492 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.864 -21.376 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.889 -18.947 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.678 -20.492 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.612 -18.978 -8.146 1.00 0.00 H new ATOM 761 N ALA A 49 -7.842 -21.923 -4.271 1.00 0.00 N ATOM 762 CA ALA A 49 -7.487 -23.179 -3.560 1.00 0.00 C ATOM 763 C ALA A 49 -6.527 -22.773 -2.444 1.00 0.00 C ATOM 764 O ALA A 49 -5.455 -23.317 -2.279 1.00 0.00 O ATOM 765 CB ALA A 49 -6.800 -24.144 -4.527 1.00 0.00 C ATOM 0 H ALA A 49 -7.755 -21.083 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.368 -23.683 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.542 -25.063 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.475 -24.375 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.893 -23.683 -4.918 1.00 0.00 H new ATOM 771 N GLY A 50 -6.920 -21.770 -1.712 1.00 0.00 N ATOM 772 CA GLY A 50 -6.082 -21.215 -0.615 1.00 0.00 C ATOM 773 C GLY A 50 -6.540 -19.772 -0.400 1.00 0.00 C ATOM 774 O GLY A 50 -6.444 -19.232 0.684 1.00 0.00 O ATOM 0 H GLY A 50 -7.816 -21.298 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.202 -21.799 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.025 -21.250 -0.879 1.00 0.00 H new ATOM 778 N THR A 51 -7.059 -19.177 -1.459 1.00 0.00 N ATOM 779 CA THR A 51 -7.593 -17.777 -1.438 1.00 0.00 C ATOM 780 C THR A 51 -6.641 -16.828 -2.168 1.00 0.00 C ATOM 781 O THR A 51 -5.684 -16.336 -1.606 1.00 0.00 O ATOM 782 CB THR A 51 -7.793 -17.294 -0.012 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.539 -18.261 0.719 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.554 -15.967 -0.031 1.00 0.00 C ATOM 0 H THR A 51 -7.134 -19.629 -2.370 1.00 0.00 H new ATOM 0 HA THR A 51 -8.557 -17.782 -1.947 1.00 0.00 H new ATOM 0 HB THR A 51 -6.823 -17.152 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.939 -18.754 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.700 -15.617 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.981 -15.227 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.524 -16.111 -0.507 1.00 0.00 H new ATOM 792 N ASN A 52 -6.906 -16.564 -3.420 1.00 0.00 N ATOM 793 CA ASN A 52 -6.026 -15.640 -4.195 1.00 0.00 C ATOM 794 C ASN A 52 -6.273 -14.185 -3.773 1.00 0.00 C ATOM 795 O ASN A 52 -7.341 -13.832 -3.315 1.00 0.00 O ATOM 796 CB ASN A 52 -6.354 -15.775 -5.682 1.00 0.00 C ATOM 797 CG ASN A 52 -5.060 -15.928 -6.481 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.607 -14.992 -7.110 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.441 -17.076 -6.483 1.00 0.00 N ATOM 0 H ASN A 52 -7.695 -16.949 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.985 -15.900 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.998 -16.639 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.903 -14.898 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.576 -17.188 -7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.821 -17.861 -5.955 1.00 0.00 H new ATOM 806 N TYR A 53 -5.295 -13.334 -3.959 1.00 0.00 N ATOM 807 CA TYR A 53 -5.471 -11.893 -3.606 1.00 0.00 C ATOM 808 C TYR A 53 -4.808 -11.034 -4.684 1.00 0.00 C ATOM 809 O TYR A 53 -3.711 -11.309 -5.129 1.00 0.00 O ATOM 810 CB TYR A 53 -4.824 -11.570 -2.254 1.00 0.00 C ATOM 811 CG TYR A 53 -5.272 -12.556 -1.200 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.631 -12.691 -0.901 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.325 -13.323 -0.510 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.044 -13.594 0.085 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.736 -14.224 0.477 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.095 -14.362 0.775 1.00 0.00 C ATOM 817 OH TYR A 53 -6.499 -15.250 1.751 1.00 0.00 O ATOM 0 H TYR A 53 -4.381 -13.576 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.538 -11.682 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.738 -11.599 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.091 -10.558 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.362 -12.098 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.275 -13.218 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.094 -13.699 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.004 -14.813 1.009 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.222 -14.918 2.630 1.00 0.00 H new ATOM 827 N TYR A 54 -5.469 -9.996 -5.099 1.00 0.00 N ATOM 828 CA TYR A 54 -4.901 -9.099 -6.145 1.00 0.00 C ATOM 829 C TYR A 54 -4.624 -7.728 -5.523 1.00 0.00 C ATOM 830 O TYR A 54 -5.488 -6.878 -5.479 1.00 0.00 O ATOM 831 CB TYR A 54 -5.935 -8.951 -7.264 1.00 0.00 C ATOM 832 CG TYR A 54 -5.276 -9.124 -8.614 1.00 0.00 C ATOM 833 CD1 TYR A 54 -3.921 -8.815 -8.784 1.00 0.00 C ATOM 834 CD2 TYR A 54 -6.028 -9.593 -9.697 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.319 -8.974 -10.038 1.00 0.00 C ATOM 836 CE2 TYR A 54 -5.425 -9.753 -10.951 1.00 0.00 C ATOM 837 CZ TYR A 54 -4.073 -9.444 -11.121 1.00 0.00 C ATOM 838 OH TYR A 54 -3.480 -9.600 -12.358 1.00 0.00 O ATOM 0 H TYR A 54 -6.390 -9.724 -4.756 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.975 -9.512 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.724 -9.692 -7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.407 -7.970 -7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.340 -8.454 -7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.073 -9.832 -9.566 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.274 -8.735 -10.170 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.005 -10.115 -11.787 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.142 -9.936 -12.998 1.00 0.00 H new ATOM 848 N ILE A 55 -3.439 -7.505 -5.015 1.00 0.00 N ATOM 849 CA ILE A 55 -3.149 -6.196 -4.370 1.00 0.00 C ATOM 850 C ILE A 55 -2.488 -5.230 -5.346 1.00 0.00 C ATOM 851 O ILE A 55 -1.279 -5.136 -5.420 1.00 0.00 O ATOM 852 CB ILE A 55 -2.217 -6.420 -3.182 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.759 -7.562 -2.319 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.135 -5.144 -2.346 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.236 -7.311 -2.004 1.00 0.00 C ATOM 0 H ILE A 55 -2.666 -8.170 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.092 -5.760 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.222 -6.678 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.644 -8.512 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.187 -7.636 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.469 -5.306 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.749 -4.331 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.129 -4.883 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.620 -8.125 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.338 -6.370 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.803 -7.259 -2.934 1.00 0.00 H new ATOM 867 N LYS A 56 -3.272 -4.464 -6.043 1.00 0.00 N ATOM 868 CA LYS A 56 -2.701 -3.456 -6.957 1.00 0.00 C ATOM 869 C LYS A 56 -2.327 -2.269 -6.073 1.00 0.00 C ATOM 870 O LYS A 56 -3.188 -1.590 -5.555 1.00 0.00 O ATOM 871 CB LYS A 56 -3.772 -3.044 -7.959 1.00 0.00 C ATOM 872 CG LYS A 56 -3.137 -2.229 -9.088 1.00 0.00 C ATOM 873 CD LYS A 56 -3.937 -2.434 -10.375 1.00 0.00 C ATOM 874 CE LYS A 56 -4.678 -1.142 -10.727 1.00 0.00 C ATOM 875 NZ LYS A 56 -3.915 -0.397 -11.768 1.00 0.00 N ATOM 0 H LYS A 56 -4.291 -4.496 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.838 -3.829 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.261 -3.928 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.542 -2.455 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.119 -1.172 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.102 -2.538 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.270 -2.716 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.648 -3.250 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.679 -1.372 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.797 -0.524 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.419 0.481 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.968 -0.165 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.824 -0.986 -12.620 1.00 0.00 H new ATOM 889 N VAL A 57 -1.069 -2.031 -5.839 1.00 0.00 N ATOM 890 CA VAL A 57 -0.728 -0.907 -4.922 1.00 0.00 C ATOM 891 C VAL A 57 -0.625 0.411 -5.693 1.00 0.00 C ATOM 892 O VAL A 57 -0.189 0.468 -6.827 1.00 0.00 O ATOM 893 CB VAL A 57 0.565 -1.205 -4.127 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.342 -2.352 -4.760 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.447 0.044 -4.056 1.00 0.00 C ATOM 0 H VAL A 57 -0.281 -2.548 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.536 -0.804 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 57 0.279 -1.497 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.247 -2.541 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.723 -3.249 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.613 -2.087 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.353 -0.182 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.715 0.358 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.902 0.847 -3.559 1.00 0.00 H new ATOM 905 N ARG A 58 -1.042 1.467 -5.056 1.00 0.00 N ATOM 906 CA ARG A 58 -1.009 2.817 -5.679 1.00 0.00 C ATOM 907 C ARG A 58 0.324 3.494 -5.364 1.00 0.00 C ATOM 908 O ARG A 58 0.792 3.462 -4.239 1.00 0.00 O ATOM 909 CB ARG A 58 -2.191 3.620 -5.087 1.00 0.00 C ATOM 910 CG ARG A 58 -1.753 4.921 -4.388 1.00 0.00 C ATOM 911 CD ARG A 58 -2.536 5.103 -3.088 1.00 0.00 C ATOM 912 NE ARG A 58 -3.947 4.693 -3.305 1.00 0.00 N ATOM 913 CZ ARG A 58 -4.911 5.306 -2.677 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.033 5.179 -1.384 1.00 0.00 N ATOM 915 NH2 ARG A 58 -5.754 6.048 -3.345 1.00 0.00 N ATOM 0 H ARG A 58 -1.413 1.450 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.102 2.758 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.892 3.863 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.725 2.994 -4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.684 4.889 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.922 5.773 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.089 4.505 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.493 6.144 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.162 3.930 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.374 4.600 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.788 5.659 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.657 6.147 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.509 6.529 -2.856 1.00 0.00 H new ATOM 929 N ALA A 59 0.926 4.141 -6.324 1.00 0.00 N ATOM 930 CA ALA A 59 2.198 4.836 -6.032 1.00 0.00 C ATOM 931 C ALA A 59 2.077 6.293 -6.462 1.00 0.00 C ATOM 932 O ALA A 59 3.060 6.958 -6.680 1.00 0.00 O ATOM 933 CB ALA A 59 3.340 4.167 -6.795 1.00 0.00 C ATOM 0 H ALA A 59 0.592 4.215 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 59 2.408 4.783 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.275 4.683 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.421 3.124 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.140 4.216 -7.865 1.00 0.00 H new ATOM 939 N GLY A 60 0.882 6.808 -6.568 1.00 0.00 N ATOM 940 CA GLY A 60 0.749 8.237 -6.970 1.00 0.00 C ATOM 941 C GLY A 60 -0.083 8.335 -8.249 1.00 0.00 C ATOM 942 O GLY A 60 -0.978 7.547 -8.480 1.00 0.00 O ATOM 0 H GLY A 60 0.007 6.312 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.275 8.807 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.735 8.673 -7.131 1.00 0.00 H new ATOM 946 N ASP A 61 0.204 9.298 -9.084 1.00 0.00 N ATOM 947 CA ASP A 61 -0.575 9.443 -10.347 1.00 0.00 C ATOM 948 C ASP A 61 0.218 8.848 -11.514 1.00 0.00 C ATOM 949 O ASP A 61 -0.344 8.324 -12.455 1.00 0.00 O ATOM 950 CB ASP A 61 -0.839 10.927 -10.616 1.00 0.00 C ATOM 951 CG ASP A 61 -1.978 11.067 -11.626 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.177 10.145 -12.398 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.635 12.096 -11.609 1.00 0.00 O ATOM 0 H ASP A 61 0.942 9.988 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.523 8.915 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.098 11.436 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.063 11.404 -11.000 1.00 0.00 H new ATOM 958 N ASN A 62 1.519 8.930 -11.462 1.00 0.00 N ATOM 959 CA ASN A 62 2.348 8.377 -12.566 1.00 0.00 C ATOM 960 C ASN A 62 3.057 7.105 -12.096 1.00 0.00 C ATOM 961 O ASN A 62 3.502 6.302 -12.893 1.00 0.00 O ATOM 962 CB ASN A 62 3.395 9.408 -13.013 1.00 0.00 C ATOM 963 CG ASN A 62 3.593 10.470 -11.927 1.00 0.00 C ATOM 964 OD1 ASN A 62 3.347 11.639 -12.152 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.031 10.111 -10.753 1.00 0.00 N ATOM 0 H ASN A 62 2.044 9.358 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 62 1.696 8.142 -13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.342 8.909 -13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.075 9.882 -13.941 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.167 10.811 -10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.238 9.130 -10.564 1.00 0.00 H new ATOM 972 N LYS A 63 3.162 6.912 -10.812 1.00 0.00 N ATOM 973 CA LYS A 63 3.837 5.689 -10.289 1.00 0.00 C ATOM 974 C LYS A 63 2.757 4.677 -9.871 1.00 0.00 C ATOM 975 O LYS A 63 1.640 5.047 -9.546 1.00 0.00 O ATOM 976 CB LYS A 63 4.716 6.087 -9.102 1.00 0.00 C ATOM 977 CG LYS A 63 5.799 7.058 -9.567 1.00 0.00 C ATOM 978 CD LYS A 63 5.847 8.254 -8.617 1.00 0.00 C ATOM 979 CE LYS A 63 7.237 8.891 -8.661 1.00 0.00 C ATOM 980 NZ LYS A 63 7.101 10.365 -8.829 1.00 0.00 N ATOM 0 H LYS A 63 2.809 7.550 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 63 4.469 5.229 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.107 6.550 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.173 5.201 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.767 6.558 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.591 7.394 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.091 8.987 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.615 7.934 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.781 8.667 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.815 8.472 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.559 10.657 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.093 10.619 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.556 10.849 -8.029 1.00 0.00 H new ATOM 994 N TYR A 64 3.049 3.400 -9.890 1.00 0.00 N ATOM 995 CA TYR A 64 1.997 2.418 -9.532 1.00 0.00 C ATOM 996 C TYR A 64 2.635 1.056 -9.292 1.00 0.00 C ATOM 997 O TYR A 64 3.336 0.531 -10.136 1.00 0.00 O ATOM 998 CB TYR A 64 1.022 2.313 -10.709 1.00 0.00 C ATOM 999 CG TYR A 64 -0.367 2.712 -10.275 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.767 4.051 -10.350 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.258 1.740 -9.806 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.058 4.420 -9.957 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.549 2.109 -9.411 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.950 3.450 -9.486 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.222 3.815 -9.101 1.00 0.00 O ATOM 0 H TYR A 64 3.957 3.006 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 64 1.476 2.736 -8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.355 2.956 -11.524 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.012 1.292 -11.092 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.078 4.800 -10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.950 0.706 -9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.366 5.453 -10.017 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.237 1.360 -9.048 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.876 3.229 -9.535 1.00 0.00 H new ATOM 1015 N LEU A 65 2.395 0.469 -8.161 1.00 0.00 N ATOM 1016 CA LEU A 65 2.990 -0.861 -7.890 1.00 0.00 C ATOM 1017 C LEU A 65 1.915 -1.924 -8.008 1.00 0.00 C ATOM 1018 O LEU A 65 0.781 -1.638 -8.339 1.00 0.00 O ATOM 1019 CB LEU A 65 3.584 -0.893 -6.489 1.00 0.00 C ATOM 1020 CG LEU A 65 4.501 0.326 -6.313 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.721 1.449 -5.627 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.704 -0.033 -5.434 1.00 0.00 C ATOM 0 H LEU A 65 1.815 0.850 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 65 3.781 -1.054 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.790 -0.879 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.147 -1.814 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 65 4.850 0.644 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.368 2.317 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.863 1.723 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.375 1.108 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.344 0.842 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.354 -0.358 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.270 -0.838 -5.903 1.00 0.00 H new ATOM 1034 N HIS A 66 2.247 -3.152 -7.749 1.00 0.00 N ATOM 1035 CA HIS A 66 1.220 -4.196 -7.873 1.00 0.00 C ATOM 1036 C HIS A 66 1.674 -5.485 -7.190 1.00 0.00 C ATOM 1037 O HIS A 66 2.847 -5.740 -7.022 1.00 0.00 O ATOM 1038 CB HIS A 66 0.989 -4.438 -9.350 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.362 -5.031 -9.535 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.362 -4.372 -10.212 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.906 -6.208 -9.104 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.452 -5.146 -10.168 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.231 -6.283 -9.505 1.00 0.00 N ATOM 0 H HIS A 66 3.173 -3.469 -7.461 1.00 0.00 H new ATOM 0 HA HIS A 66 0.298 -3.876 -7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.069 -3.502 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.752 -5.108 -9.746 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.383 -6.965 -8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.399 -4.882 -10.616 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.892 -7.041 -9.331 1.00 0.00 H new ATOM 1051 N LEU A 67 0.736 -6.289 -6.785 1.00 0.00 N ATOM 1052 CA LEU A 67 1.065 -7.562 -6.093 1.00 0.00 C ATOM 1053 C LEU A 67 -0.125 -8.496 -6.169 1.00 0.00 C ATOM 1054 O LEU A 67 -1.244 -8.093 -6.409 1.00 0.00 O ATOM 1055 CB LEU A 67 1.313 -7.265 -4.620 1.00 0.00 C ATOM 1056 CG LEU A 67 1.371 -8.570 -3.816 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.617 -9.365 -4.192 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.428 -8.219 -2.332 1.00 0.00 C ATOM 0 H LEU A 67 -0.262 -6.115 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 67 1.940 -8.013 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.248 -6.717 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.520 -6.626 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 67 0.490 -9.174 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.647 -10.289 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.590 -9.602 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.506 -8.773 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.470 -9.135 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.316 -7.619 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.539 -7.652 -2.058 1.00 0.00 H new ATOM 1070 N LYS A 68 0.117 -9.732 -5.908 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.946 -10.725 -5.875 1.00 0.00 C ATOM 1072 C LYS A 68 -0.680 -11.546 -4.656 1.00 0.00 C ATOM 1073 O LYS A 68 0.184 -12.406 -4.690 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.793 -11.635 -7.043 1.00 0.00 C ATOM 1075 CG LYS A 68 -2.058 -12.456 -7.251 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.985 -13.689 -6.343 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.645 -14.947 -7.152 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.280 -14.881 -8.500 1.00 0.00 N ATOM 0 H LYS A 68 1.047 -10.102 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.931 -10.259 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.579 -11.053 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.056 -12.299 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.940 -11.861 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.148 -12.757 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.231 -13.533 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.938 -13.827 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.564 -15.040 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.992 -15.834 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.232 -15.816 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.275 -14.595 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.776 -14.186 -9.087 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.355 -11.314 -3.587 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.047 -12.136 -2.416 1.00 0.00 C ATOM 1094 C VAL A 69 -1.828 -13.440 -2.532 1.00 0.00 C ATOM 1095 O VAL A 69 -3.004 -13.448 -2.826 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.403 -11.400 -1.122 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.923 -12.216 0.080 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.718 -10.033 -1.110 1.00 0.00 C ATOM 0 H VAL A 69 -2.086 -10.612 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 69 0.022 -12.345 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.484 -11.269 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.177 -11.691 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.407 -13.193 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.158 -12.347 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.971 -9.508 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.362 -10.167 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.057 -9.449 -1.966 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.183 -14.546 -2.344 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.903 -15.833 -2.488 1.00 0.00 C ATOM 1110 C PHE A 70 -1.530 -16.782 -1.353 1.00 0.00 C ATOM 1111 O PHE A 70 -0.391 -17.162 -1.197 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.504 -16.450 -3.828 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.133 -17.817 -3.977 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.242 -18.172 -3.200 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.606 -18.728 -4.899 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.823 -19.439 -3.345 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.186 -19.994 -5.043 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.295 -20.348 -4.267 1.00 0.00 C ATOM 0 H PHE A 70 -0.196 -14.618 -2.099 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.979 -15.662 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.823 -15.803 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.419 -16.531 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.650 -17.469 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.751 -18.454 -5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.678 -19.713 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.777 -20.698 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.744 -21.324 -4.380 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.490 -17.192 -0.574 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.190 -18.139 0.531 1.00 0.00 C ATOM 1130 C LYS A 71 -2.312 -19.555 -0.024 1.00 0.00 C ATOM 1131 O LYS A 71 -3.159 -20.326 0.380 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.194 -17.940 1.668 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.671 -16.869 2.627 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.846 -16.233 3.369 1.00 0.00 C ATOM 1135 CE LYS A 71 -3.463 -16.009 4.833 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.093 -17.310 5.455 1.00 0.00 N ATOM 0 H LYS A 71 -3.468 -16.912 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.187 -17.967 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.162 -17.642 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.346 -18.878 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.974 -17.312 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.121 -16.108 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.114 -15.285 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.722 -16.878 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.628 -15.312 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.296 -15.560 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.459 -17.346 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.504 -18.089 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.057 -17.405 5.471 1.00 0.00 H new ATOM 1150 N SER A 72 -1.477 -19.880 -0.974 1.00 0.00 N ATOM 1151 CA SER A 72 -1.523 -21.227 -1.608 1.00 0.00 C ATOM 1152 C SER A 72 -1.866 -22.298 -0.576 1.00 0.00 C ATOM 1153 O SER A 72 -1.148 -22.519 0.379 1.00 0.00 O ATOM 1154 CB SER A 72 -0.168 -21.540 -2.240 1.00 0.00 C ATOM 1155 OG SER A 72 -0.234 -21.298 -3.638 1.00 0.00 O ATOM 0 H SER A 72 -0.756 -19.260 -1.342 1.00 0.00 H new ATOM 0 HA SER A 72 -2.297 -21.225 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.608 -20.922 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.103 -22.579 -2.052 1.00 0.00 H new ATOM 0 HG SER A 72 -0.700 -20.452 -3.802 1.00 0.00 H new ATOM 1161 N LEU A 73 -2.961 -22.971 -0.780 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.381 -24.044 0.156 1.00 0.00 C ATOM 1163 C LEU A 73 -4.424 -24.919 -0.550 1.00 0.00 C ATOM 1164 O LEU A 73 -5.550 -25.025 -0.111 1.00 0.00 O ATOM 1165 CB LEU A 73 -3.976 -23.405 1.414 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.717 -24.458 2.232 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.242 -24.411 3.684 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.214 -24.162 2.175 1.00 0.00 C ATOM 0 H LEU A 73 -3.591 -22.820 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.531 -24.660 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.184 -22.957 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.658 -22.602 1.136 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.518 -25.449 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.773 -25.164 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.171 -24.611 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.442 -23.424 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.755 -24.909 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.405 -23.172 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.552 -24.194 1.139 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.019 -25.509 -1.649 1.00 0.00 N ATOM 1181 CA PRO A 74 -4.904 -26.368 -2.454 1.00 0.00 C ATOM 1182 C PRO A 74 -4.964 -27.783 -1.864 1.00 0.00 C ATOM 1183 O PRO A 74 -4.747 -28.760 -2.552 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.223 -26.382 -3.827 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.732 -26.056 -3.576 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.653 -25.368 -2.200 1.00 0.00 C ATOM 0 HA PRO A 74 -5.934 -26.012 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.333 -27.355 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.675 -25.647 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.130 -26.965 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.342 -25.404 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.913 -25.845 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.367 -24.320 -2.294 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.263 -27.901 -0.597 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.342 -29.251 0.028 1.00 0.00 C ATOM 1196 C GLY A 75 -3.975 -29.648 0.586 1.00 0.00 C ATOM 1197 O GLY A 75 -3.866 -30.156 1.686 1.00 0.00 O ATOM 0 H GLY A 75 -5.456 -27.120 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.084 -29.248 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.670 -29.984 -0.709 1.00 0.00 H new ATOM 1201 N GLN A 76 -2.929 -29.425 -0.162 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.572 -29.795 0.329 1.00 0.00 C ATOM 1203 C GLN A 76 -1.045 -28.699 1.255 1.00 0.00 C ATOM 1204 O GLN A 76 -0.430 -28.973 2.268 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.626 -29.954 -0.864 1.00 0.00 C ATOM 1206 CG GLN A 76 0.166 -31.256 -0.720 1.00 0.00 C ATOM 1207 CD GLN A 76 -0.503 -32.355 -1.549 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -0.601 -32.246 -2.755 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -0.971 -33.415 -0.949 1.00 0.00 N ATOM 0 H GLN A 76 -2.956 -29.003 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.629 -30.735 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.195 -29.963 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.056 -29.105 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.193 -31.108 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.211 -31.553 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.888 -33.506 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.419 -34.153 -1.493 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.277 -27.463 0.916 1.00 0.00 N ATOM 1219 CA ASN A 77 -0.789 -26.348 1.776 1.00 0.00 C ATOM 1220 C ASN A 77 0.741 -26.372 1.818 1.00 0.00 C ATOM 1221 O ASN A 77 1.339 -26.793 2.789 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.343 -26.518 3.193 1.00 0.00 C ATOM 1223 CG ASN A 77 -0.874 -25.358 4.078 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.973 -25.427 5.286 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -0.365 -24.288 3.527 1.00 0.00 N ATOM 0 H ASN A 77 -1.784 -27.175 0.079 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.127 -25.396 1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.432 -26.549 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.007 -27.466 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.052 -23.513 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.281 -24.228 2.512 1.00 0.00 H new ATOM 1232 N GLU A 78 1.379 -25.923 0.773 1.00 0.00 N ATOM 1233 CA GLU A 78 2.869 -25.917 0.748 1.00 0.00 C ATOM 1234 C GLU A 78 3.368 -24.473 0.715 1.00 0.00 C ATOM 1235 O GLU A 78 3.888 -24.006 -0.279 1.00 0.00 O ATOM 1236 CB GLU A 78 3.365 -26.655 -0.497 1.00 0.00 C ATOM 1237 CG GLU A 78 3.333 -28.161 -0.245 1.00 0.00 C ATOM 1238 CD GLU A 78 3.318 -28.905 -1.582 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.389 -29.160 -2.108 1.00 0.00 O ATOM 1240 OE2 GLU A 78 2.236 -29.206 -2.057 1.00 0.00 O ATOM 0 H GLU A 78 0.931 -25.559 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 78 3.249 -26.416 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.739 -26.406 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.379 -26.338 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.203 -28.461 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.451 -28.424 0.339 1.00 0.00 H new ATOM 1247 N ASP A 79 3.209 -23.756 1.793 1.00 0.00 N ATOM 1248 CA ASP A 79 3.664 -22.341 1.820 1.00 0.00 C ATOM 1249 C ASP A 79 2.737 -21.501 0.939 1.00 0.00 C ATOM 1250 O ASP A 79 2.087 -22.010 0.048 1.00 0.00 O ATOM 1251 CB ASP A 79 5.099 -22.251 1.294 1.00 0.00 C ATOM 1252 CG ASP A 79 5.995 -21.629 2.366 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.588 -21.614 3.517 1.00 0.00 O ATOM 1254 OD2 ASP A 79 7.075 -21.177 2.020 1.00 0.00 O ATOM 0 H ASP A 79 2.783 -24.091 2.657 1.00 0.00 H new ATOM 0 HA ASP A 79 3.636 -21.966 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.464 -23.244 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.128 -21.649 0.386 1.00 0.00 H new ATOM 1259 N LEU A 80 2.662 -20.223 1.183 1.00 0.00 N ATOM 1260 CA LEU A 80 1.766 -19.365 0.360 1.00 0.00 C ATOM 1261 C LEU A 80 2.348 -19.173 -1.030 1.00 0.00 C ATOM 1262 O LEU A 80 2.945 -20.064 -1.600 1.00 0.00 O ATOM 1263 CB LEU A 80 1.565 -18.017 1.045 1.00 0.00 C ATOM 1264 CG LEU A 80 2.856 -17.214 0.992 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.524 -15.744 0.735 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.571 -17.363 2.329 1.00 0.00 C ATOM 0 H LEU A 80 3.181 -19.737 1.914 1.00 0.00 H new ATOM 0 HA LEU A 80 0.798 -19.857 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.763 -17.466 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.262 -18.167 2.081 1.00 0.00 H new ATOM 0 HG LEU A 80 3.499 -17.576 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.446 -15.164 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.996 -15.651 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.892 -15.368 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.500 -16.793 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.931 -16.987 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.794 -18.415 2.507 1.00 0.00 H new ATOM 1278 N VAL A 81 2.141 -18.026 -1.595 1.00 0.00 N ATOM 1279 CA VAL A 81 2.634 -17.771 -2.967 1.00 0.00 C ATOM 1280 C VAL A 81 2.241 -16.346 -3.363 1.00 0.00 C ATOM 1281 O VAL A 81 1.286 -15.795 -2.853 1.00 0.00 O ATOM 1282 CB VAL A 81 1.976 -18.813 -3.885 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.543 -18.186 -5.217 1.00 0.00 C ATOM 1284 CG2 VAL A 81 2.970 -19.942 -4.165 1.00 0.00 C ATOM 0 H VAL A 81 1.647 -17.246 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 81 3.718 -17.857 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 81 1.091 -19.201 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.081 -18.948 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.825 -17.388 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.415 -17.776 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.506 -20.683 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.856 -19.534 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.258 -20.414 -3.226 1.00 0.00 H new ATOM 1294 N LEU A 82 2.959 -15.745 -4.268 1.00 0.00 N ATOM 1295 CA LEU A 82 2.609 -14.373 -4.684 1.00 0.00 C ATOM 1296 C LEU A 82 2.877 -14.209 -6.162 1.00 0.00 C ATOM 1297 O LEU A 82 3.835 -13.583 -6.568 1.00 0.00 O ATOM 1298 CB LEU A 82 3.435 -13.354 -3.917 1.00 0.00 C ATOM 1299 CG LEU A 82 2.569 -12.777 -2.813 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.501 -13.762 -1.645 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.159 -11.451 -2.335 1.00 0.00 C ATOM 0 H LEU A 82 3.771 -16.149 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 82 1.553 -14.207 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.324 -13.824 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.778 -12.563 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 82 1.564 -12.604 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.878 -13.345 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.071 -14.703 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.505 -13.941 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.534 -11.040 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.166 -11.617 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.198 -10.749 -3.168 1.00 0.00 H new ATOM 1313 N THR A 83 2.019 -14.737 -6.975 1.00 0.00 N ATOM 1314 CA THR A 83 2.210 -14.576 -8.432 1.00 0.00 C ATOM 1315 C THR A 83 2.218 -13.083 -8.771 1.00 0.00 C ATOM 1316 O THR A 83 2.491 -12.702 -9.892 1.00 0.00 O ATOM 1317 CB THR A 83 1.075 -15.264 -9.182 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.683 -16.437 -8.480 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.543 -15.627 -10.595 1.00 0.00 C ATOM 0 H THR A 83 1.196 -15.271 -6.696 1.00 0.00 H new ATOM 0 HA THR A 83 3.156 -15.028 -8.729 1.00 0.00 H new ATOM 0 HB THR A 83 0.221 -14.591 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.048 -16.878 -8.962 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.732 -16.119 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.833 -14.720 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.398 -16.300 -10.533 1.00 0.00 H new ATOM 1327 N GLY A 84 1.923 -12.221 -7.820 1.00 0.00 N ATOM 1328 CA GLY A 84 1.927 -10.768 -8.137 1.00 0.00 C ATOM 1329 C GLY A 84 3.078 -10.093 -7.407 1.00 0.00 C ATOM 1330 O GLY A 84 3.469 -10.497 -6.333 1.00 0.00 O ATOM 0 H GLY A 84 1.685 -12.463 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.027 -10.620 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.980 -10.317 -7.840 1.00 0.00 H new ATOM 1334 N TYR A 85 3.614 -9.061 -7.988 1.00 0.00 N ATOM 1335 CA TYR A 85 4.739 -8.335 -7.347 1.00 0.00 C ATOM 1336 C TYR A 85 5.285 -7.315 -8.342 1.00 0.00 C ATOM 1337 O TYR A 85 5.713 -7.667 -9.423 1.00 0.00 O ATOM 1338 CB TYR A 85 5.846 -9.322 -6.968 1.00 0.00 C ATOM 1339 CG TYR A 85 6.148 -10.220 -8.145 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.074 -9.818 -9.115 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.501 -11.456 -8.267 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.351 -10.649 -10.208 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.778 -12.287 -9.358 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.703 -11.885 -10.329 1.00 0.00 C ATOM 1345 OH TYR A 85 6.975 -12.706 -11.406 1.00 0.00 O ATOM 0 H TYR A 85 3.317 -8.686 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 85 4.390 -7.833 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.744 -8.780 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.536 -9.920 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.575 -8.866 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.788 -11.768 -7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.064 -10.337 -10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.278 -13.240 -9.451 1.00 0.00 H new ATOM 0 HH TYR A 85 6.441 -13.525 -11.336 1.00 0.00 H new ATOM 1355 N GLN A 86 5.270 -6.057 -8.005 1.00 0.00 N ATOM 1356 CA GLN A 86 5.790 -5.041 -8.970 1.00 0.00 C ATOM 1357 C GLN A 86 6.111 -3.728 -8.254 1.00 0.00 C ATOM 1358 O GLN A 86 5.687 -3.489 -7.140 1.00 0.00 O ATOM 1359 CB GLN A 86 4.735 -4.782 -10.049 1.00 0.00 C ATOM 1360 CG GLN A 86 5.089 -5.567 -11.315 1.00 0.00 C ATOM 1361 CD GLN A 86 6.503 -5.203 -11.767 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.365 -6.054 -11.853 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.778 -3.962 -12.063 1.00 0.00 N ATOM 0 H GLN A 86 4.927 -5.688 -7.118 1.00 0.00 H new ATOM 0 HA GLN A 86 6.704 -5.425 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.751 -5.080 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.683 -3.716 -10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.023 -6.638 -11.121 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.374 -5.341 -12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.053 -3.248 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.718 -3.706 -12.367 1.00 0.00 H new ATOM 1372 N VAL A 87 6.859 -2.872 -8.903 1.00 0.00 N ATOM 1373 CA VAL A 87 7.226 -1.565 -8.293 1.00 0.00 C ATOM 1374 C VAL A 87 6.421 -0.455 -8.972 1.00 0.00 C ATOM 1375 O VAL A 87 5.492 -0.712 -9.708 1.00 0.00 O ATOM 1376 CB VAL A 87 8.730 -1.321 -8.493 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.000 -0.827 -9.917 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.220 -0.278 -7.490 1.00 0.00 C ATOM 0 H VAL A 87 7.233 -3.028 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 87 7.003 -1.572 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 87 9.263 -2.258 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.069 -0.658 -10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.662 -1.577 -10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.462 0.105 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.287 -0.107 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.679 0.656 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.044 -0.637 -6.476 1.00 0.00 H new ATOM 1388 N ASP A 88 6.767 0.777 -8.728 1.00 0.00 N ATOM 1389 CA ASP A 88 6.017 1.889 -9.350 1.00 0.00 C ATOM 1390 C ASP A 88 6.858 2.559 -10.447 1.00 0.00 C ATOM 1391 O ASP A 88 7.579 1.898 -11.168 1.00 0.00 O ATOM 1392 CB ASP A 88 5.642 2.907 -8.269 1.00 0.00 C ATOM 1393 CG ASP A 88 6.857 3.775 -7.921 1.00 0.00 C ATOM 1394 OD1 ASP A 88 7.956 3.400 -8.295 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.668 4.795 -7.281 1.00 0.00 O ATOM 0 H ASP A 88 7.539 1.057 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 88 5.110 1.498 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.824 3.536 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.287 2.389 -7.378 1.00 0.00 H new ATOM 1400 N LYS A 89 6.742 3.861 -10.587 1.00 0.00 N ATOM 1401 CA LYS A 89 7.501 4.600 -11.644 1.00 0.00 C ATOM 1402 C LYS A 89 6.648 4.617 -12.908 1.00 0.00 C ATOM 1403 O LYS A 89 6.428 5.646 -13.512 1.00 0.00 O ATOM 1404 CB LYS A 89 8.841 3.915 -11.930 1.00 0.00 C ATOM 1405 CG LYS A 89 9.812 4.924 -12.548 1.00 0.00 C ATOM 1406 CD LYS A 89 11.135 4.896 -11.778 1.00 0.00 C ATOM 1407 CE LYS A 89 12.293 4.679 -12.754 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.429 5.568 -12.376 1.00 0.00 N ATOM 0 H LYS A 89 6.145 4.448 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 89 7.710 5.615 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.259 3.511 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.694 3.074 -12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.984 4.684 -13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.382 5.925 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.273 5.832 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.118 4.099 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.610 3.636 -12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.971 4.895 -13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.218 5.423 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.121 6.561 -12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.741 5.341 -11.410 1.00 0.00 H new ATOM 1422 N ASN A 90 6.152 3.474 -13.295 1.00 0.00 N ATOM 1423 CA ASN A 90 5.289 3.392 -14.505 1.00 0.00 C ATOM 1424 C ASN A 90 5.259 1.949 -15.005 1.00 0.00 C ATOM 1425 O ASN A 90 5.261 1.691 -16.192 1.00 0.00 O ATOM 1426 CB ASN A 90 5.830 4.307 -15.610 1.00 0.00 C ATOM 1427 CG ASN A 90 7.363 4.314 -15.589 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.978 5.338 -15.817 1.00 0.00 O ATOM 1429 ND2 ASN A 90 8.015 3.212 -15.327 1.00 0.00 N ATOM 0 H ASN A 90 6.310 2.586 -12.819 1.00 0.00 H new ATOM 0 HA ASN A 90 4.281 3.715 -14.245 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.474 3.965 -16.582 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.453 5.320 -15.471 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.035 3.214 -15.314 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.504 2.350 -15.135 1.00 0.00 H new ATOM 1436 N LYS A 91 5.230 1.006 -14.107 1.00 0.00 N ATOM 1437 CA LYS A 91 5.196 -0.421 -14.526 1.00 0.00 C ATOM 1438 C LYS A 91 3.769 -0.941 -14.389 1.00 0.00 C ATOM 1439 O LYS A 91 3.249 -1.592 -15.274 1.00 0.00 O ATOM 1440 CB LYS A 91 6.137 -1.239 -13.640 1.00 0.00 C ATOM 1441 CG LYS A 91 7.579 -1.034 -14.107 1.00 0.00 C ATOM 1442 CD LYS A 91 8.176 0.179 -13.393 1.00 0.00 C ATOM 1443 CE LYS A 91 9.159 0.893 -14.326 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.476 0.195 -14.289 1.00 0.00 N ATOM 0 H LYS A 91 5.228 1.162 -13.099 1.00 0.00 H new ATOM 0 HA LYS A 91 5.521 -0.512 -15.563 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.033 -0.932 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.874 -2.296 -13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.172 -1.923 -13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.606 -0.884 -15.186 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.383 0.863 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.687 -0.137 -12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.769 0.903 -15.344 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.278 1.932 -14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.144 0.680 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.848 0.208 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.356 -0.790 -14.601 1.00 0.00 H new ATOM 1458 N ASP A 92 3.121 -0.639 -13.298 1.00 0.00 N ATOM 1459 CA ASP A 92 1.717 -1.099 -13.130 1.00 0.00 C ATOM 1460 C ASP A 92 0.783 -0.022 -13.689 1.00 0.00 C ATOM 1461 O ASP A 92 -0.381 0.048 -13.351 1.00 0.00 O ATOM 1462 CB ASP A 92 1.421 -1.326 -11.645 1.00 0.00 C ATOM 1463 CG ASP A 92 -0.060 -1.666 -11.464 1.00 0.00 C ATOM 1464 OD1 ASP A 92 -0.603 -2.337 -12.326 1.00 0.00 O ATOM 1465 OD2 ASP A 92 -0.625 -1.251 -10.465 1.00 0.00 O ATOM 0 H ASP A 92 3.501 -0.097 -12.522 1.00 0.00 H new ATOM 0 HA ASP A 92 1.564 -2.037 -13.664 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.040 -2.136 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.672 -0.433 -11.073 1.00 0.00 H new ATOM 1470 N ASP A 93 1.296 0.819 -14.549 1.00 0.00 N ATOM 1471 CA ASP A 93 0.456 1.898 -15.140 1.00 0.00 C ATOM 1472 C ASP A 93 -0.686 1.280 -15.948 1.00 0.00 C ATOM 1473 O ASP A 93 -0.551 1.001 -17.122 1.00 0.00 O ATOM 1474 CB ASP A 93 1.321 2.764 -16.059 1.00 0.00 C ATOM 1475 CG ASP A 93 0.447 3.814 -16.748 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.082 4.666 -16.054 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.325 3.750 -17.961 1.00 0.00 O ATOM 0 H ASP A 93 2.265 0.803 -14.867 1.00 0.00 H new ATOM 0 HA ASP A 93 0.039 2.512 -14.342 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.106 3.252 -15.482 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.814 2.140 -16.805 1.00 0.00 H new