USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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 88 HIS : no HD1:sc= -2.05 X(o=-3.3,f=-3.4) USER MOD Set 1.2: A 92 SER OG : rot -120:sc= -1.28 USER MOD Set 2.1: A 52 SER OG : rot -55:sc= 1.11 USER MOD Set 2.2: A 78 TYR OH : rot -6:sc= 2.05 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc=-0.00344 (180deg=-0.132) USER MOD Single : A 26 THR OG1 : rot 25:sc= 0.138 USER MOD Single : A 27 ASN : amide:sc= -2.59 K(o=-2.6,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 54 SER OG : rot 180:sc= -0.23 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0681 (180deg=-0.376) USER MOD Single : A 57 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.0319 USER MOD Single : A 66 CYS SG : rot 140:sc= -1.45 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -36:sc= 0.177 USER MOD Single : A 81 ASN : amide:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.514) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.344 15.405 2.232 1.00 0.00 N ATOM 102 CA PRO A 11 -0.670 13.978 2.147 1.00 0.00 C ATOM 103 C PRO A 11 -1.912 13.717 1.302 1.00 0.00 C ATOM 104 O PRO A 11 -2.297 12.568 1.086 1.00 0.00 O ATOM 105 CB PRO A 11 -0.922 13.584 3.604 1.00 0.00 C ATOM 106 CG PRO A 11 -1.335 14.850 4.273 1.00 0.00 C ATOM 107 CD PRO A 11 -0.580 15.950 3.580 1.00 0.00 C ATOM 0 HA PRO A 11 0.125 13.406 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.700 12.824 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.025 13.168 4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.411 15.003 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.098 14.824 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.158 16.874 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.356 16.179 4.090 1.00 0.00 H new ATOM 115 N SER A 12 -2.535 14.791 0.827 1.00 0.00 N ATOM 116 CA SER A 12 -3.737 14.677 0.008 1.00 0.00 C ATOM 117 C SER A 12 -3.377 14.529 -1.467 1.00 0.00 C ATOM 118 O SER A 12 -4.070 13.846 -2.221 1.00 0.00 O ATOM 119 CB SER A 12 -4.632 15.902 0.206 1.00 0.00 C ATOM 120 OG SER A 12 -4.731 16.245 1.577 1.00 0.00 O ATOM 0 H SER A 12 -2.228 15.749 0.995 1.00 0.00 H new ATOM 0 HA SER A 12 -4.279 13.785 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.229 16.745 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.625 15.699 -0.194 1.00 0.00 H new ATOM 0 HG SER A 12 -5.307 17.032 1.677 1.00 0.00 H new ATOM 126 N ARG A 13 -2.288 15.175 -1.871 1.00 0.00 N ATOM 127 CA ARG A 13 -1.835 15.116 -3.256 1.00 0.00 C ATOM 128 C ARG A 13 -1.415 13.699 -3.632 1.00 0.00 C ATOM 129 O ARG A 13 -1.384 13.340 -4.809 1.00 0.00 O ATOM 130 CB ARG A 13 -0.668 16.081 -3.474 1.00 0.00 C ATOM 131 CG ARG A 13 -0.959 17.502 -3.019 1.00 0.00 C ATOM 132 CD ARG A 13 -1.548 18.337 -4.145 1.00 0.00 C ATOM 133 NE ARG A 13 -0.565 18.626 -5.186 1.00 0.00 N ATOM 134 CZ ARG A 13 0.421 19.504 -5.042 1.00 0.00 C ATOM 135 NH1 ARG A 13 0.555 20.176 -3.907 1.00 0.00 N ATOM 136 NH2 ARG A 13 1.276 19.711 -6.035 1.00 0.00 N ATOM 0 H ARG A 13 -1.703 15.745 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.666 15.411 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.205 15.709 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.411 16.093 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.653 17.481 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.040 17.967 -2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.395 17.809 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.932 19.273 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.640 18.126 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.100 20.019 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.313 20.850 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.176 19.196 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.033 20.385 -5.924 1.00 0.00 H new ATOM 150 N VAL A 14 -1.091 12.896 -2.623 1.00 0.00 N ATOM 151 CA VAL A 14 -0.672 11.517 -2.846 1.00 0.00 C ATOM 152 C VAL A 14 -1.838 10.660 -3.326 1.00 0.00 C ATOM 153 O VAL A 14 -2.977 10.850 -2.900 1.00 0.00 O ATOM 154 CB VAL A 14 -0.084 10.895 -1.566 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.560 9.551 -1.873 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.919 11.842 -0.926 1.00 0.00 C ATOM 0 H VAL A 14 -1.111 13.177 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 14 0.099 11.541 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.895 10.729 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.970 9.126 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.189 8.874 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.361 9.689 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.324 11.386 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.729 12.042 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.423 12.778 -0.669 1.00 0.00 H new ATOM 166 N GLN A 15 -1.545 9.716 -4.215 1.00 0.00 N ATOM 167 CA GLN A 15 -2.570 8.830 -4.752 1.00 0.00 C ATOM 168 C GLN A 15 -2.077 7.387 -4.790 1.00 0.00 C ATOM 169 O GLN A 15 -0.958 7.115 -5.223 1.00 0.00 O ATOM 170 CB GLN A 15 -2.978 9.279 -6.157 1.00 0.00 C ATOM 171 CG GLN A 15 -3.410 10.734 -6.228 1.00 0.00 C ATOM 172 CD GLN A 15 -3.732 11.179 -7.642 1.00 0.00 C ATOM 173 OE1 GLN A 15 -4.883 11.473 -7.965 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.714 11.230 -8.493 1.00 0.00 N ATOM 0 H GLN A 15 -0.607 9.546 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.439 8.881 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.140 9.124 -6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.795 8.648 -6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.286 10.880 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.618 11.364 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.776 10.977 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.870 11.522 -9.458 1.00 0.00 H new ATOM 183 N ALA A 16 -2.920 6.466 -4.334 1.00 0.00 N ATOM 184 CA ALA A 16 -2.570 5.052 -4.317 1.00 0.00 C ATOM 185 C ALA A 16 -3.633 4.215 -5.021 1.00 0.00 C ATOM 186 O ALA A 16 -4.793 4.199 -4.611 1.00 0.00 O ATOM 187 CB ALA A 16 -2.380 4.572 -2.886 1.00 0.00 C ATOM 0 H ALA A 16 -3.850 6.675 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.631 4.929 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.119 3.514 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.580 5.142 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.305 4.716 -2.328 1.00 0.00 H new ATOM 193 N GLN A 17 -3.229 3.522 -6.081 1.00 0.00 N ATOM 194 CA GLN A 17 -4.148 2.685 -6.841 1.00 0.00 C ATOM 195 C GLN A 17 -3.417 1.501 -7.465 1.00 0.00 C ATOM 196 O GLN A 17 -2.279 1.628 -7.914 1.00 0.00 O ATOM 197 CB GLN A 17 -4.836 3.507 -7.933 1.00 0.00 C ATOM 198 CG GLN A 17 -3.889 3.986 -9.021 1.00 0.00 C ATOM 199 CD GLN A 17 -4.421 5.195 -9.766 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.972 5.071 -10.860 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.258 6.373 -9.176 1.00 0.00 N ATOM 0 H GLN A 17 -2.271 3.524 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.903 2.302 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.623 2.906 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.318 4.371 -7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.925 4.233 -8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.715 3.175 -9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.795 6.429 -8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.595 7.222 -9.630 1.00 0.00 H new ATOM 210 N GLY A 18 -4.079 0.348 -7.489 1.00 0.00 N ATOM 211 CA GLY A 18 -3.476 -0.843 -8.059 1.00 0.00 C ATOM 212 C GLY A 18 -4.101 -2.119 -7.531 1.00 0.00 C ATOM 213 O GLY A 18 -5.132 -2.099 -6.859 1.00 0.00 O ATOM 0 H GLY A 18 -5.022 0.217 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.578 -0.814 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.408 -0.847 -7.839 1.00 0.00 H new ATOM 217 N PRO A 19 -3.470 -3.262 -7.839 1.00 0.00 N ATOM 218 CA PRO A 19 -3.954 -4.575 -7.402 1.00 0.00 C ATOM 219 C PRO A 19 -3.799 -4.779 -5.898 1.00 0.00 C ATOM 220 O PRO A 19 -4.728 -5.218 -5.223 1.00 0.00 O ATOM 221 CB PRO A 19 -3.062 -5.555 -8.169 1.00 0.00 C ATOM 222 CG PRO A 19 -1.814 -4.792 -8.448 1.00 0.00 C ATOM 223 CD PRO A 19 -2.236 -3.361 -8.636 1.00 0.00 C ATOM 0 HA PRO A 19 -5.019 -4.703 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.856 -6.448 -7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.539 -5.885 -9.092 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.107 -4.885 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.315 -5.172 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.473 -2.667 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.416 -3.130 -9.686 1.00 0.00 H new ATOM 231 N GLY A 20 -2.617 -4.456 -5.381 1.00 0.00 N ATOM 232 CA GLY A 20 -2.363 -4.611 -3.960 1.00 0.00 C ATOM 233 C GLY A 20 -3.428 -3.955 -3.105 1.00 0.00 C ATOM 234 O GLY A 20 -3.554 -4.255 -1.917 1.00 0.00 O ATOM 0 H GLY A 20 -1.832 -4.090 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.310 -5.672 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.391 -4.180 -3.719 1.00 0.00 H new ATOM 238 N LEU A 21 -4.197 -3.055 -3.709 1.00 0.00 N ATOM 239 CA LEU A 21 -5.257 -2.352 -2.994 1.00 0.00 C ATOM 240 C LEU A 21 -6.624 -2.935 -3.338 1.00 0.00 C ATOM 241 O LEU A 21 -7.537 -2.936 -2.511 1.00 0.00 O ATOM 242 CB LEU A 21 -5.226 -0.861 -3.334 1.00 0.00 C ATOM 243 CG LEU A 21 -3.870 -0.168 -3.191 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.936 1.251 -3.733 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.423 -0.166 -1.736 1.00 0.00 C ATOM 0 H LEU A 21 -4.106 -2.795 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.087 -2.478 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.569 -0.736 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.943 -0.348 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.136 -0.724 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.962 1.728 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.210 1.225 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.683 1.818 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.456 0.331 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.157 0.365 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.335 -1.193 -1.381 1.00 0.00 H new ATOM 257 N LYS A 22 -6.759 -3.432 -4.562 1.00 0.00 N ATOM 258 CA LYS A 22 -8.013 -4.022 -5.016 1.00 0.00 C ATOM 259 C LYS A 22 -8.218 -5.403 -4.401 1.00 0.00 C ATOM 260 O LYS A 22 -9.269 -5.686 -3.826 1.00 0.00 O ATOM 261 CB LYS A 22 -8.030 -4.124 -6.542 1.00 0.00 C ATOM 262 CG LYS A 22 -9.429 -4.145 -7.135 1.00 0.00 C ATOM 263 CD LYS A 22 -9.396 -3.990 -8.646 1.00 0.00 C ATOM 264 CE LYS A 22 -10.725 -3.480 -9.183 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.939 -2.042 -8.858 1.00 0.00 N ATOM 0 H LYS A 22 -6.014 -3.438 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.828 -3.375 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.480 -3.281 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.503 -5.029 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.921 -5.082 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.022 -3.341 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.600 -3.299 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.160 -4.950 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.757 -3.617 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.538 -4.072 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.689 -1.657 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.220 -1.950 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.057 -1.515 -9.020 1.00 0.00 H new ATOM 279 N GLU A 23 -7.208 -6.258 -4.526 1.00 0.00 N ATOM 280 CA GLU A 23 -7.279 -7.609 -3.982 1.00 0.00 C ATOM 281 C GLU A 23 -5.891 -8.240 -3.911 1.00 0.00 C ATOM 282 O GLU A 23 -5.041 -7.994 -4.766 1.00 0.00 O ATOM 283 CB GLU A 23 -8.204 -8.478 -4.836 1.00 0.00 C ATOM 284 CG GLU A 23 -7.617 -8.846 -6.188 1.00 0.00 C ATOM 285 CD GLU A 23 -8.518 -9.772 -6.983 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.934 -10.811 -6.431 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.805 -9.457 -8.157 1.00 0.00 O ATOM 0 H GLU A 23 -6.331 -6.039 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.683 -7.546 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.437 -9.392 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.145 -7.950 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.439 -7.937 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.649 -9.325 -6.041 1.00 0.00 H new ATOM 294 N ALA A 24 -5.671 -9.056 -2.885 1.00 0.00 N ATOM 295 CA ALA A 24 -4.389 -9.724 -2.703 1.00 0.00 C ATOM 296 C ALA A 24 -4.581 -11.198 -2.363 1.00 0.00 C ATOM 297 O ALA A 24 -5.706 -11.699 -2.342 1.00 0.00 O ATOM 298 CB ALA A 24 -3.583 -9.031 -1.614 1.00 0.00 C ATOM 0 H ALA A 24 -6.364 -9.270 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.839 -9.663 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.628 -9.540 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.406 -7.993 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.137 -9.062 -0.676 1.00 0.00 H new ATOM 304 N PHE A 25 -3.477 -11.889 -2.099 1.00 0.00 N ATOM 305 CA PHE A 25 -3.524 -13.307 -1.762 1.00 0.00 C ATOM 306 C PHE A 25 -2.427 -13.666 -0.765 1.00 0.00 C ATOM 307 O PHE A 25 -1.487 -12.900 -0.555 1.00 0.00 O ATOM 308 CB PHE A 25 -3.379 -14.158 -3.026 1.00 0.00 C ATOM 309 CG PHE A 25 -4.685 -14.437 -3.714 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.269 -13.483 -4.532 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.328 -15.652 -3.544 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.471 -13.736 -5.166 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.529 -15.912 -4.176 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.101 -14.953 -4.989 1.00 0.00 C ATOM 0 H PHE A 25 -2.538 -11.490 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.490 -13.514 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.712 -13.649 -3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.906 -15.104 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.780 -12.531 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.885 -16.406 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.917 -12.983 -5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.020 -16.864 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.039 -15.154 -5.485 1.00 0.00 H new ATOM 324 N THR A 26 -2.554 -14.839 -0.151 1.00 0.00 N ATOM 325 CA THR A 26 -1.576 -15.300 0.826 1.00 0.00 C ATOM 326 C THR A 26 -0.306 -15.794 0.142 1.00 0.00 C ATOM 327 O THR A 26 -0.361 -16.622 -0.766 1.00 0.00 O ATOM 328 CB THR A 26 -2.147 -16.432 1.702 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.544 -17.535 0.879 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.338 -15.941 2.511 1.00 0.00 C ATOM 0 H THR A 26 -3.325 -15.487 -0.314 1.00 0.00 H new ATOM 0 HA THR A 26 -1.336 -14.446 1.459 1.00 0.00 H new ATOM 0 HB THR A 26 -1.368 -16.756 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.039 -17.515 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.724 -16.757 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.026 -15.121 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.119 -15.593 1.835 1.00 0.00 H new ATOM 338 N ASN A 27 0.837 -15.279 0.583 1.00 0.00 N ATOM 339 CA ASN A 27 2.121 -15.668 0.013 1.00 0.00 C ATOM 340 C ASN A 27 2.192 -15.302 -1.467 1.00 0.00 C ATOM 341 O ASN A 27 2.806 -16.011 -2.264 1.00 0.00 O ATOM 342 CB ASN A 27 2.346 -17.171 0.189 1.00 0.00 C ATOM 343 CG ASN A 27 2.445 -17.574 1.648 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.474 -18.081 2.095 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.372 -17.350 2.397 1.00 0.00 N ATOM 0 H ASN A 27 0.900 -14.591 1.334 1.00 0.00 H new ATOM 0 HA ASN A 27 2.905 -15.125 0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.527 -17.716 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.260 -17.462 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.379 -17.601 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.541 -16.927 1.984 1.00 0.00 H new ATOM 352 N LYS A 28 1.562 -14.189 -1.826 1.00 0.00 N ATOM 353 CA LYS A 28 1.554 -13.726 -3.208 1.00 0.00 C ATOM 354 C LYS A 28 2.049 -12.286 -3.303 1.00 0.00 C ATOM 355 O LYS A 28 1.814 -11.464 -2.417 1.00 0.00 O ATOM 356 CB LYS A 28 0.145 -13.831 -3.796 1.00 0.00 C ATOM 357 CG LYS A 28 -0.224 -15.234 -4.245 1.00 0.00 C ATOM 358 CD LYS A 28 -1.242 -15.209 -5.373 1.00 0.00 C ATOM 359 CE LYS A 28 -1.099 -16.422 -6.280 1.00 0.00 C ATOM 360 NZ LYS A 28 0.001 -16.249 -7.268 1.00 0.00 N ATOM 0 H LYS A 28 1.050 -13.590 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 28 2.228 -14.363 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.576 -13.496 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.064 -13.153 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.673 -15.759 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.629 -15.793 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.249 -15.182 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.115 -14.298 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.907 -17.308 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.037 -16.594 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.066 -17.097 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.194 -15.419 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.901 -16.111 -6.765 1.00 0.00 H new ATOM 374 N PRO A 29 2.751 -11.971 -4.402 1.00 0.00 N ATOM 375 CA PRO A 29 3.291 -10.630 -4.638 1.00 0.00 C ATOM 376 C PRO A 29 2.198 -9.606 -4.923 1.00 0.00 C ATOM 377 O PRO A 29 1.515 -9.682 -5.944 1.00 0.00 O ATOM 378 CB PRO A 29 4.182 -10.818 -5.869 1.00 0.00 C ATOM 379 CG PRO A 29 3.609 -11.999 -6.574 1.00 0.00 C ATOM 380 CD PRO A 29 3.069 -12.901 -5.498 1.00 0.00 C ATOM 0 HA PRO A 29 3.820 -10.245 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.170 -9.933 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.220 -10.992 -5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.820 -11.697 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.370 -12.508 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.185 -13.443 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.803 -13.646 -5.192 1.00 0.00 H new ATOM 388 N ASN A 30 2.038 -8.648 -4.016 1.00 0.00 N ATOM 389 CA ASN A 30 1.027 -7.609 -4.170 1.00 0.00 C ATOM 390 C ASN A 30 1.664 -6.223 -4.145 1.00 0.00 C ATOM 391 O ASN A 30 2.323 -5.848 -3.175 1.00 0.00 O ATOM 392 CB ASN A 30 -0.022 -7.720 -3.063 1.00 0.00 C ATOM 393 CG ASN A 30 -0.269 -9.156 -2.642 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.007 -9.889 -3.301 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.350 -9.565 -1.541 1.00 0.00 N ATOM 0 H ASN A 30 2.596 -8.570 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 30 0.542 -7.750 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.304 -7.142 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.958 -7.279 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.223 -10.521 -1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.953 -8.923 -1.026 1.00 0.00 H new ATOM 402 N VAL A 31 1.462 -5.465 -5.219 1.00 0.00 N ATOM 403 CA VAL A 31 2.014 -4.120 -5.320 1.00 0.00 C ATOM 404 C VAL A 31 0.950 -3.121 -5.761 1.00 0.00 C ATOM 405 O VAL A 31 -0.167 -3.501 -6.110 1.00 0.00 O ATOM 406 CB VAL A 31 3.192 -4.070 -6.311 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.229 -5.127 -5.962 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.696 -4.248 -7.738 1.00 0.00 C ATOM 0 H VAL A 31 0.920 -5.760 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 31 2.373 -3.849 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 31 3.666 -3.092 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.054 -5.076 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.606 -4.948 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.771 -6.115 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.542 -4.210 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.196 -5.212 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.995 -3.450 -7.982 1.00 0.00 H new ATOM 418 N PHE A 32 1.306 -1.840 -5.744 1.00 0.00 N ATOM 419 CA PHE A 32 0.381 -0.785 -6.141 1.00 0.00 C ATOM 420 C PHE A 32 1.139 0.448 -6.624 1.00 0.00 C ATOM 421 O PHE A 32 2.344 0.576 -6.407 1.00 0.00 O ATOM 422 CB PHE A 32 -0.533 -0.411 -4.973 1.00 0.00 C ATOM 423 CG PHE A 32 0.169 -0.393 -3.645 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.489 -1.577 -3.000 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.509 0.807 -3.042 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.134 -1.563 -1.777 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.155 0.827 -1.820 1.00 0.00 C ATOM 428 CZ PHE A 32 1.469 -0.360 -1.188 1.00 0.00 C ATOM 0 H PHE A 32 2.228 -1.508 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.229 -1.161 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.965 0.572 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.360 -1.119 -4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.232 -2.521 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.266 1.738 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.376 -2.492 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.414 1.769 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.976 -0.347 -0.234 1.00 0.00 H new ATOM 438 N THR A 33 0.423 1.356 -7.281 1.00 0.00 N ATOM 439 CA THR A 33 1.026 2.578 -7.797 1.00 0.00 C ATOM 440 C THR A 33 0.804 3.746 -6.843 1.00 0.00 C ATOM 441 O THR A 33 -0.321 4.003 -6.412 1.00 0.00 O ATOM 442 CB THR A 33 0.458 2.945 -9.181 1.00 0.00 C ATOM 443 OG1 THR A 33 0.554 1.822 -10.064 1.00 0.00 O ATOM 444 CG2 THR A 33 1.204 4.130 -9.776 1.00 0.00 C ATOM 0 H THR A 33 -0.576 1.267 -7.468 1.00 0.00 H new ATOM 0 HA THR A 33 2.095 2.387 -7.891 1.00 0.00 H new ATOM 0 HB THR A 33 -0.589 3.221 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.189 2.063 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.785 4.370 -10.753 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.104 4.992 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.259 3.878 -9.886 1.00 0.00 H new ATOM 452 N VAL A 34 1.882 4.452 -6.517 1.00 0.00 N ATOM 453 CA VAL A 34 1.804 5.594 -5.615 1.00 0.00 C ATOM 454 C VAL A 34 2.342 6.857 -6.279 1.00 0.00 C ATOM 455 O VAL A 34 3.543 6.981 -6.520 1.00 0.00 O ATOM 456 CB VAL A 34 2.588 5.337 -4.314 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.461 6.524 -3.371 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.105 4.059 -3.645 1.00 0.00 C ATOM 0 H VAL A 34 2.820 4.253 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 34 0.750 5.735 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 34 3.642 5.213 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.021 6.324 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.860 7.416 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.411 6.683 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.670 3.893 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.045 4.151 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.254 3.216 -4.320 1.00 0.00 H new ATOM 468 N VAL A 35 1.445 7.793 -6.573 1.00 0.00 N ATOM 469 CA VAL A 35 1.829 9.047 -7.208 1.00 0.00 C ATOM 470 C VAL A 35 2.113 10.125 -6.168 1.00 0.00 C ATOM 471 O VAL A 35 1.195 10.670 -5.555 1.00 0.00 O ATOM 472 CB VAL A 35 0.733 9.550 -8.166 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.132 10.882 -8.783 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.454 8.516 -9.246 1.00 0.00 C ATOM 0 H VAL A 35 0.447 7.706 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 35 2.736 8.848 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.183 9.702 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.345 11.221 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.277 11.620 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.060 10.761 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.323 8.888 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.364 8.331 -9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.120 7.587 -8.783 1.00 0.00 H new ATOM 484 N THR A 36 3.393 10.430 -5.974 1.00 0.00 N ATOM 485 CA THR A 36 3.799 11.443 -5.007 1.00 0.00 C ATOM 486 C THR A 36 4.580 12.564 -5.682 1.00 0.00 C ATOM 487 O THR A 36 5.624 12.991 -5.188 1.00 0.00 O ATOM 488 CB THR A 36 4.662 10.834 -3.886 1.00 0.00 C ATOM 489 OG1 THR A 36 5.735 10.073 -4.451 1.00 0.00 O ATOM 490 CG2 THR A 36 3.824 9.944 -2.980 1.00 0.00 C ATOM 0 H THR A 36 4.166 9.990 -6.474 1.00 0.00 H new ATOM 0 HA THR A 36 2.886 11.850 -4.572 1.00 0.00 H new ATOM 0 HB THR A 36 5.071 11.650 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.279 9.691 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.455 9.525 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.027 10.533 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.389 9.135 -3.566 1.00 0.00 H new ATOM 579 N LEU A 44 8.086 8.659 2.847 1.00 0.00 N ATOM 580 CA LEU A 44 6.878 7.850 2.726 1.00 0.00 C ATOM 581 C LEU A 44 6.998 6.568 3.543 1.00 0.00 C ATOM 582 O LEU A 44 7.982 5.837 3.430 1.00 0.00 O ATOM 583 CB LEU A 44 6.613 7.510 1.258 1.00 0.00 C ATOM 584 CG LEU A 44 5.432 6.578 0.988 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.116 7.292 1.254 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.479 6.059 -0.442 1.00 0.00 C ATOM 0 HA LEU A 44 6.041 8.430 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.448 8.440 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.512 7.054 0.843 1.00 0.00 H new ATOM 0 HG LEU A 44 5.503 5.727 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.287 6.613 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.081 7.614 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.036 8.162 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.631 5.397 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.433 6.899 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.407 5.509 -0.599 1.00 0.00 H new ATOM 598 N GLY A 45 5.988 6.299 4.365 1.00 0.00 N ATOM 599 CA GLY A 45 5.999 5.103 5.187 1.00 0.00 C ATOM 600 C GLY A 45 4.800 4.211 4.929 1.00 0.00 C ATOM 601 O GLY A 45 3.710 4.461 5.444 1.00 0.00 O ATOM 0 H GLY A 45 5.163 6.888 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.913 4.542 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.016 5.389 6.239 1.00 0.00 H new ATOM 605 N ILE A 46 5.002 3.169 4.129 1.00 0.00 N ATOM 606 CA ILE A 46 3.928 2.238 3.804 1.00 0.00 C ATOM 607 C ILE A 46 4.057 0.949 4.607 1.00 0.00 C ATOM 608 O ILE A 46 5.035 0.213 4.471 1.00 0.00 O ATOM 609 CB ILE A 46 3.916 1.895 2.302 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.832 3.173 1.466 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.755 0.967 1.981 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.157 2.961 0.004 1.00 0.00 C ATOM 0 H ILE A 46 5.898 2.949 3.695 1.00 0.00 H new ATOM 0 HA ILE A 46 2.992 2.733 4.063 1.00 0.00 H new ATOM 0 HB ILE A 46 4.845 1.382 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.827 3.587 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.518 3.913 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.759 0.733 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.856 0.046 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.816 1.456 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.077 3.909 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.172 2.576 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.456 2.245 -0.424 1.00 0.00 H new ATOM 624 N THR A 47 3.060 0.678 5.446 1.00 0.00 N ATOM 625 CA THR A 47 3.061 -0.523 6.271 1.00 0.00 C ATOM 626 C THR A 47 1.765 -1.307 6.101 1.00 0.00 C ATOM 627 O THR A 47 0.789 -0.801 5.548 1.00 0.00 O ATOM 628 CB THR A 47 3.249 -0.180 7.761 1.00 0.00 C ATOM 629 OG1 THR A 47 2.323 0.840 8.150 1.00 0.00 O ATOM 630 CG2 THR A 47 4.671 0.287 8.033 1.00 0.00 C ATOM 0 H THR A 47 2.242 1.275 5.571 1.00 0.00 H new ATOM 0 HA THR A 47 3.899 -1.135 5.938 1.00 0.00 H new ATOM 0 HB THR A 47 3.061 -1.081 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.448 1.051 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.780 0.524 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.371 -0.504 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.882 1.176 7.439 1.00 0.00 H new ATOM 638 N VAL A 48 1.761 -2.547 6.582 1.00 0.00 N ATOM 639 CA VAL A 48 0.583 -3.401 6.485 1.00 0.00 C ATOM 640 C VAL A 48 0.292 -4.087 7.814 1.00 0.00 C ATOM 641 O VAL A 48 1.197 -4.602 8.470 1.00 0.00 O ATOM 642 CB VAL A 48 0.756 -4.473 5.393 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.405 -5.455 5.420 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.884 -3.823 4.024 1.00 0.00 C ATOM 0 H VAL A 48 2.560 -2.982 7.043 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.255 -2.756 6.221 1.00 0.00 H new ATOM 0 HB VAL A 48 1.673 -5.027 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.265 -6.205 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.445 -5.945 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.338 -4.920 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.006 -4.595 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.014 -3.243 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.752 -3.164 4.014 1.00 0.00 H new ATOM 654 N GLU A 49 -0.979 -4.090 8.206 1.00 0.00 N ATOM 655 CA GLU A 49 -1.390 -4.714 9.459 1.00 0.00 C ATOM 656 C GLU A 49 -2.420 -5.811 9.208 1.00 0.00 C ATOM 657 O GLU A 49 -3.315 -5.659 8.377 1.00 0.00 O ATOM 658 CB GLU A 49 -1.967 -3.665 10.411 1.00 0.00 C ATOM 659 CG GLU A 49 -0.925 -3.020 11.310 1.00 0.00 C ATOM 660 CD GLU A 49 -0.735 -3.769 12.614 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.739 -4.269 13.163 1.00 0.00 O ATOM 662 OE2 GLU A 49 0.418 -3.855 13.086 1.00 0.00 O ATOM 0 H GLU A 49 -1.741 -3.668 7.675 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.510 -5.165 9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.461 -2.889 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.732 -4.132 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.027 -2.973 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.222 -1.993 11.525 1.00 0.00 H new ATOM 669 N GLY A 50 -2.287 -6.917 9.933 1.00 0.00 N ATOM 670 CA GLY A 50 -3.213 -8.024 9.775 1.00 0.00 C ATOM 671 C GLY A 50 -2.950 -9.145 10.760 1.00 0.00 C ATOM 672 O GLY A 50 -2.216 -8.984 11.736 1.00 0.00 O ATOM 0 H GLY A 50 -1.555 -7.067 10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.233 -7.662 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.140 -8.413 8.759 1.00 0.00 H new ATOM 676 N PRO A 51 -3.559 -10.313 10.510 1.00 0.00 N ATOM 677 CA PRO A 51 -3.403 -11.489 11.372 1.00 0.00 C ATOM 678 C PRO A 51 -2.003 -12.088 11.286 1.00 0.00 C ATOM 679 O PRO A 51 -1.666 -13.011 12.028 1.00 0.00 O ATOM 680 CB PRO A 51 -4.440 -12.472 10.823 1.00 0.00 C ATOM 681 CG PRO A 51 -4.628 -12.070 9.401 1.00 0.00 C ATOM 682 CD PRO A 51 -4.447 -10.577 9.365 1.00 0.00 C ATOM 0 HA PRO A 51 -3.544 -11.244 12.425 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.090 -13.501 10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.376 -12.411 11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.903 -12.567 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.618 -12.352 9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.001 -10.249 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.398 -10.054 9.465 1.00 0.00 H new ATOM 690 N SER A 52 -1.192 -11.558 10.376 1.00 0.00 N ATOM 691 CA SER A 52 0.171 -12.044 10.192 1.00 0.00 C ATOM 692 C SER A 52 1.061 -10.954 9.603 1.00 0.00 C ATOM 693 O SER A 52 0.600 -10.109 8.837 1.00 0.00 O ATOM 694 CB SER A 52 0.178 -13.272 9.279 1.00 0.00 C ATOM 695 OG SER A 52 -0.182 -12.924 7.953 1.00 0.00 O ATOM 0 H SER A 52 -1.455 -10.793 9.755 1.00 0.00 H new ATOM 0 HA SER A 52 0.566 -12.324 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.169 -13.726 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.516 -14.019 9.664 1.00 0.00 H new ATOM 0 HG SER A 52 -1.046 -12.461 7.959 1.00 0.00 H new ATOM 701 N GLU A 53 2.339 -10.980 9.969 1.00 0.00 N ATOM 702 CA GLU A 53 3.294 -9.994 9.478 1.00 0.00 C ATOM 703 C GLU A 53 3.611 -10.230 8.004 1.00 0.00 C ATOM 704 O GLU A 53 4.041 -11.317 7.617 1.00 0.00 O ATOM 705 CB GLU A 53 4.582 -10.044 10.302 1.00 0.00 C ATOM 706 CG GLU A 53 5.665 -9.107 9.796 1.00 0.00 C ATOM 707 CD GLU A 53 7.005 -9.349 10.464 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.237 -8.780 11.551 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.821 -10.108 9.900 1.00 0.00 O ATOM 0 H GLU A 53 2.736 -11.673 10.603 1.00 0.00 H new ATOM 0 HA GLU A 53 2.843 -9.007 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.351 -9.793 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.966 -11.064 10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.773 -9.231 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.358 -8.076 9.969 1.00 0.00 H new ATOM 716 N SER A 54 3.394 -9.205 7.186 1.00 0.00 N ATOM 717 CA SER A 54 3.653 -9.301 5.755 1.00 0.00 C ATOM 718 C SER A 54 5.019 -8.717 5.408 1.00 0.00 C ATOM 719 O SER A 54 5.438 -7.707 5.974 1.00 0.00 O ATOM 720 CB SER A 54 2.561 -8.573 4.968 1.00 0.00 C ATOM 721 OG SER A 54 1.274 -9.046 5.325 1.00 0.00 O ATOM 0 H SER A 54 3.039 -8.298 7.490 1.00 0.00 H new ATOM 0 HA SER A 54 3.648 -10.356 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.624 -7.502 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.721 -8.717 3.899 1.00 0.00 H new ATOM 0 HG SER A 54 0.594 -8.564 4.810 1.00 0.00 H new ATOM 727 N LYS A 55 5.711 -9.361 4.475 1.00 0.00 N ATOM 728 CA LYS A 55 7.030 -8.908 4.050 1.00 0.00 C ATOM 729 C LYS A 55 6.917 -7.732 3.085 1.00 0.00 C ATOM 730 O LYS A 55 6.711 -7.919 1.886 1.00 0.00 O ATOM 731 CB LYS A 55 7.797 -10.054 3.386 1.00 0.00 C ATOM 732 CG LYS A 55 8.584 -10.907 4.366 1.00 0.00 C ATOM 733 CD LYS A 55 9.120 -12.166 3.703 1.00 0.00 C ATOM 734 CE LYS A 55 10.397 -11.886 2.926 1.00 0.00 C ATOM 735 NZ LYS A 55 11.525 -11.521 3.827 1.00 0.00 N ATOM 0 H LYS A 55 5.380 -10.200 3.998 1.00 0.00 H new ATOM 0 HA LYS A 55 7.575 -8.579 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.092 -10.689 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.482 -9.641 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.413 -10.327 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.946 -11.180 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.313 -12.924 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.365 -12.574 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.668 -12.766 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.221 -11.076 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.428 -11.683 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.449 -10.518 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.487 -12.107 4.685 1.00 0.00 H new ATOM 749 N ILE A 56 7.054 -6.522 3.616 1.00 0.00 N ATOM 750 CA ILE A 56 6.969 -5.316 2.801 1.00 0.00 C ATOM 751 C ILE A 56 8.342 -4.910 2.277 1.00 0.00 C ATOM 752 O ILE A 56 9.358 -5.125 2.936 1.00 0.00 O ATOM 753 CB ILE A 56 6.366 -4.142 3.594 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.865 -4.353 3.798 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.629 -2.827 2.874 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.279 -3.500 4.901 1.00 0.00 C ATOM 0 H ILE A 56 7.224 -6.350 4.607 1.00 0.00 H new ATOM 0 HA ILE A 56 6.316 -5.548 1.960 1.00 0.00 H new ATOM 0 HB ILE A 56 6.844 -4.100 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.345 -4.134 2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.682 -5.403 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.197 -2.006 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.704 -2.675 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.175 -2.857 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.212 -3.702 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.772 -3.736 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.431 -2.447 4.666 1.00 0.00 H new ATOM 768 N ASN A 57 8.364 -4.318 1.087 1.00 0.00 N ATOM 769 CA ASN A 57 9.613 -3.880 0.474 1.00 0.00 C ATOM 770 C ASN A 57 9.386 -2.653 -0.404 1.00 0.00 C ATOM 771 O ASN A 57 8.731 -2.733 -1.444 1.00 0.00 O ATOM 772 CB ASN A 57 10.222 -5.010 -0.357 1.00 0.00 C ATOM 773 CG ASN A 57 10.764 -6.134 0.504 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.743 -5.958 1.230 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.129 -7.298 0.427 1.00 0.00 N ATOM 0 H ASN A 57 7.531 -4.131 0.528 1.00 0.00 H new ATOM 0 HA ASN A 57 10.306 -3.612 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.466 -5.407 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.026 -4.610 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.449 -8.091 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.322 -7.399 -0.188 1.00 0.00 H new ATOM 782 N CYS A 58 9.932 -1.519 0.021 1.00 0.00 N ATOM 783 CA CYS A 58 9.790 -0.274 -0.726 1.00 0.00 C ATOM 784 C CYS A 58 10.776 -0.222 -1.889 1.00 0.00 C ATOM 785 O CYS A 58 11.839 -0.841 -1.842 1.00 0.00 O ATOM 786 CB CYS A 58 10.006 0.926 0.196 1.00 0.00 C ATOM 787 SG CYS A 58 11.635 0.971 0.979 1.00 0.00 S ATOM 0 H CYS A 58 10.477 -1.436 0.879 1.00 0.00 H new ATOM 0 HA CYS A 58 8.778 -0.235 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.865 1.842 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.241 0.916 0.973 1.00 0.00 H new ATOM 0 HG CYS A 58 11.723 2.023 1.738 1.00 0.00 H new ATOM 895 N CYS A 66 6.295 6.081 -6.549 1.00 0.00 N ATOM 896 CA CYS A 66 6.831 5.190 -5.526 1.00 0.00 C ATOM 897 C CYS A 66 6.248 3.788 -5.666 1.00 0.00 C ATOM 898 O CYS A 66 5.078 3.623 -6.009 1.00 0.00 O ATOM 899 CB CYS A 66 6.533 5.743 -4.132 1.00 0.00 C ATOM 900 SG CYS A 66 7.640 5.128 -2.841 1.00 0.00 S ATOM 0 HA CYS A 66 7.911 5.129 -5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.597 6.831 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.506 5.492 -3.865 1.00 0.00 H new ATOM 0 HG CYS A 66 7.940 6.098 -2.029 1.00 0.00 H new ATOM 906 N SER A 67 7.073 2.780 -5.398 1.00 0.00 N ATOM 907 CA SER A 67 6.641 1.391 -5.500 1.00 0.00 C ATOM 908 C SER A 67 6.679 0.710 -4.135 1.00 0.00 C ATOM 909 O SER A 67 7.631 0.875 -3.373 1.00 0.00 O ATOM 910 CB SER A 67 7.527 0.630 -6.487 1.00 0.00 C ATOM 911 OG SER A 67 7.012 0.715 -7.805 1.00 0.00 O ATOM 0 H SER A 67 8.044 2.900 -5.109 1.00 0.00 H new ATOM 0 HA SER A 67 5.614 1.381 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.538 1.037 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.596 -0.416 -6.187 1.00 0.00 H new ATOM 0 HG SER A 67 7.597 0.222 -8.417 1.00 0.00 H new ATOM 917 N ALA A 68 5.636 -0.057 -3.835 1.00 0.00 N ATOM 918 CA ALA A 68 5.550 -0.766 -2.564 1.00 0.00 C ATOM 919 C ALA A 68 4.960 -2.160 -2.752 1.00 0.00 C ATOM 920 O ALA A 68 3.831 -2.308 -3.218 1.00 0.00 O ATOM 921 CB ALA A 68 4.718 0.032 -1.570 1.00 0.00 C ATOM 0 H ALA A 68 4.839 -0.203 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 68 6.560 -0.878 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.662 -0.509 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.182 1.004 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.713 0.173 -1.967 1.00 0.00 H new ATOM 927 N GLU A 69 5.732 -3.178 -2.385 1.00 0.00 N ATOM 928 CA GLU A 69 5.285 -4.560 -2.515 1.00 0.00 C ATOM 929 C GLU A 69 5.186 -5.231 -1.148 1.00 0.00 C ATOM 930 O GLU A 69 5.996 -4.972 -0.258 1.00 0.00 O ATOM 931 CB GLU A 69 6.242 -5.347 -3.413 1.00 0.00 C ATOM 932 CG GLU A 69 7.658 -5.428 -2.870 1.00 0.00 C ATOM 933 CD GLU A 69 8.480 -6.509 -3.544 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.713 -6.401 -4.766 1.00 0.00 O ATOM 935 OE2 GLU A 69 8.891 -7.463 -2.850 1.00 0.00 O ATOM 0 H GLU A 69 6.669 -3.072 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 69 4.294 -4.553 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.854 -6.357 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.266 -4.883 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.151 -4.465 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.622 -5.620 -1.798 1.00 0.00 H new ATOM 942 N TYR A 70 4.188 -6.093 -0.990 1.00 0.00 N ATOM 943 CA TYR A 70 3.980 -6.799 0.269 1.00 0.00 C ATOM 944 C TYR A 70 3.522 -8.233 0.020 1.00 0.00 C ATOM 945 O TYR A 70 2.950 -8.540 -1.026 1.00 0.00 O ATOM 946 CB TYR A 70 2.948 -6.063 1.126 1.00 0.00 C ATOM 947 CG TYR A 70 1.543 -6.131 0.573 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.083 -5.180 -0.329 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.674 -7.146 0.954 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.200 -5.237 -0.836 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.611 -7.213 0.451 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.044 -6.256 -0.444 1.00 0.00 C ATOM 953 OH TYR A 70 -2.323 -6.317 -0.946 1.00 0.00 O ATOM 0 H TYR A 70 3.510 -6.320 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 70 4.930 -6.828 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.955 -6.485 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.243 -5.018 1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.741 -4.382 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.009 -7.896 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.541 -4.488 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.273 -8.010 0.757 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.677 -5.409 -1.050 1.00 0.00 H new ATOM 963 N ILE A 71 3.777 -9.105 0.989 1.00 0.00 N ATOM 964 CA ILE A 71 3.390 -10.506 0.877 1.00 0.00 C ATOM 965 C ILE A 71 3.013 -11.082 2.238 1.00 0.00 C ATOM 966 O ILE A 71 3.867 -11.366 3.078 1.00 0.00 O ATOM 967 CB ILE A 71 4.521 -11.355 0.268 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.872 -10.848 -1.132 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.115 -12.821 0.219 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.123 -11.475 -1.707 1.00 0.00 C ATOM 0 H ILE A 71 4.250 -8.866 1.861 1.00 0.00 H new ATOM 0 HA ILE A 71 2.524 -10.543 0.217 1.00 0.00 H new ATOM 0 HB ILE A 71 5.405 -11.263 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.035 -11.047 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.001 -9.766 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.925 -13.408 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.909 -13.176 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.220 -12.930 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.310 -11.068 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.971 -11.254 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.990 -12.555 -1.776 1.00 0.00 H new ATOM 982 N PRO A 72 1.703 -11.262 2.461 1.00 0.00 N ATOM 983 CA PRO A 72 1.182 -11.810 3.717 1.00 0.00 C ATOM 984 C PRO A 72 1.514 -13.288 3.888 1.00 0.00 C ATOM 985 O PRO A 72 2.037 -13.926 2.974 1.00 0.00 O ATOM 986 CB PRO A 72 -0.331 -11.613 3.590 1.00 0.00 C ATOM 987 CG PRO A 72 -0.586 -11.581 2.123 1.00 0.00 C ATOM 988 CD PRO A 72 0.629 -10.947 1.504 1.00 0.00 C ATOM 0 HA PRO A 72 1.618 -11.319 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.878 -12.425 4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.651 -10.687 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.743 -12.586 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.484 -11.007 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.838 -11.358 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.503 -9.871 1.381 1.00 0.00 H new ATOM 996 N PHE A 73 1.208 -13.827 5.063 1.00 0.00 N ATOM 997 CA PHE A 73 1.475 -15.231 5.354 1.00 0.00 C ATOM 998 C PHE A 73 0.196 -15.954 5.763 1.00 0.00 C ATOM 999 O PHE A 73 0.159 -17.183 5.830 1.00 0.00 O ATOM 1000 CB PHE A 73 2.521 -15.354 6.464 1.00 0.00 C ATOM 1001 CG PHE A 73 3.902 -14.949 6.034 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.151 -13.667 5.573 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.952 -15.852 6.089 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.421 -13.291 5.177 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.224 -15.483 5.695 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.458 -14.201 5.237 1.00 0.00 C ATOM 0 H PHE A 73 0.775 -13.313 5.830 1.00 0.00 H new ATOM 0 HA PHE A 73 1.861 -15.697 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.217 -14.737 7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.546 -16.385 6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.343 -12.952 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.774 -16.856 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.602 -12.287 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.034 -16.196 5.745 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.451 -13.911 4.926 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.852 -15.183 6.036 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.133 -15.750 6.437 1.00 0.00 C ATOM 1018 C ALA A 74 -3.293 -14.964 5.834 1.00 0.00 C ATOM 1019 O ALA A 74 -3.247 -13.740 5.708 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.246 -15.780 7.954 1.00 0.00 C ATOM 0 H ALA A 74 -0.838 -14.164 5.987 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.184 -16.771 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.208 -16.206 8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.443 -16.390 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.169 -14.765 8.345 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.359 -15.682 5.451 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.552 -15.073 4.854 1.00 0.00 C ATOM 1028 C PRO A 75 -6.346 -14.248 5.861 1.00 0.00 C ATOM 1029 O PRO A 75 -6.416 -14.589 7.041 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.370 -16.278 4.386 1.00 0.00 C ATOM 1031 CG PRO A 75 -5.934 -17.397 5.268 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.483 -17.145 5.571 1.00 0.00 C ATOM 0 HA PRO A 75 -5.298 -14.378 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.440 -16.092 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.179 -16.503 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.525 -17.425 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.068 -18.359 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.215 -17.491 6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.830 -17.663 4.869 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.945 -13.159 5.386 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.727 -12.303 6.259 1.00 0.00 C ATOM 1042 C GLY A 76 -7.810 -10.877 5.749 1.00 0.00 C ATOM 1043 O GLY A 76 -7.370 -10.582 4.638 1.00 0.00 O ATOM 0 H GLY A 76 -6.902 -12.855 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.733 -12.710 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.285 -12.304 7.255 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.378 -9.993 6.561 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.518 -8.591 6.186 1.00 0.00 C ATOM 1049 C ASP A 77 -7.309 -7.781 6.645 1.00 0.00 C ATOM 1050 O ASP A 77 -7.018 -7.704 7.838 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.797 -8.005 6.788 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.888 -9.045 6.952 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -11.445 -9.489 5.926 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.184 -9.416 8.107 1.00 0.00 O ATOM 0 H ASP A 77 -8.749 -10.222 7.483 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.578 -8.536 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.570 -7.565 7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.160 -7.199 6.150 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.608 -7.181 5.689 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.429 -6.381 5.994 1.00 0.00 C ATOM 1061 C TYR A 78 -5.700 -4.898 5.758 1.00 0.00 C ATOM 1062 O TYR A 78 -6.620 -4.533 5.026 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.243 -6.836 5.141 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.666 -8.167 5.567 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.419 -9.332 5.483 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.369 -8.260 6.056 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.897 -10.550 5.872 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.837 -9.474 6.445 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.605 -10.616 6.352 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.080 -11.827 6.740 1.00 0.00 O ATOM 0 H TYR A 78 -6.836 -7.234 4.696 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.187 -6.524 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.559 -6.903 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.461 -6.079 5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.430 -9.284 5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.766 -7.367 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.496 -11.446 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.826 -9.529 6.820 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.778 -12.513 6.702 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.892 -4.049 6.383 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.042 -2.606 6.241 1.00 0.00 C ATOM 1082 C ASP A 79 -3.715 -1.956 5.863 1.00 0.00 C ATOM 1083 O ASP A 79 -2.772 -1.939 6.654 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.571 -1.996 7.540 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.086 -1.972 7.595 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.715 -1.790 6.531 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.642 -2.136 8.700 1.00 0.00 O ATOM 0 H ASP A 79 -4.126 -4.335 6.993 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.759 -2.417 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.189 -2.566 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.191 -0.980 7.642 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.648 -1.422 4.647 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.437 -0.771 4.163 1.00 0.00 C ATOM 1094 C VAL A 80 -2.317 0.645 4.713 1.00 0.00 C ATOM 1095 O VAL A 80 -3.001 1.560 4.254 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.405 -0.717 2.624 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.106 -0.092 2.138 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.588 -2.109 2.039 1.00 0.00 C ATOM 0 H VAL A 80 -4.419 -1.428 3.979 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.595 -1.367 4.515 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.230 -0.092 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.102 -0.062 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.022 0.922 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.263 -0.687 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.563 -2.053 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.785 -2.759 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.548 -2.515 2.359 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.443 0.820 5.699 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.233 2.126 6.312 1.00 0.00 C ATOM 1110 C ASN A 81 -0.177 2.922 5.551 1.00 0.00 C ATOM 1111 O ASN A 81 1.007 2.585 5.578 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.811 1.965 7.774 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.909 1.364 8.630 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.643 2.081 9.310 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.025 0.041 8.601 1.00 0.00 N ATOM 0 H ASN A 81 -0.869 0.073 6.090 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.174 2.674 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.074 1.331 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.531 2.938 8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.745 -0.420 9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.394 -0.514 8.022 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.614 3.978 4.873 1.00 0.00 N ATOM 1123 CA ILE A 82 0.293 4.822 4.106 1.00 0.00 C ATOM 1124 C ILE A 82 0.316 6.245 4.654 1.00 0.00 C ATOM 1125 O ILE A 82 -0.728 6.881 4.806 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.099 4.863 2.617 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.132 3.448 2.037 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.870 5.739 1.838 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.858 3.354 0.713 1.00 0.00 C ATOM 0 H ILE A 82 -1.591 4.269 4.839 1.00 0.00 H new ATOM 0 HA ILE A 82 1.286 4.383 4.199 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.097 5.294 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.890 3.093 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.612 2.782 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.580 5.758 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.847 6.752 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.879 5.336 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.842 2.322 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.891 3.678 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.365 3.994 -0.019 1.00 0.00 H new ATOM 1141 N THR A 83 1.514 6.741 4.948 1.00 0.00 N ATOM 1142 CA THR A 83 1.673 8.089 5.478 1.00 0.00 C ATOM 1143 C THR A 83 2.860 8.796 4.833 1.00 0.00 C ATOM 1144 O THR A 83 3.901 8.186 4.588 1.00 0.00 O ATOM 1145 CB THR A 83 1.868 8.073 7.006 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.880 7.123 7.360 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.568 7.724 7.714 1.00 0.00 C ATOM 0 H THR A 83 2.388 6.229 4.828 1.00 0.00 H new ATOM 0 HA THR A 83 0.758 8.632 5.242 1.00 0.00 H new ATOM 0 HB THR A 83 2.178 9.069 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.000 7.120 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.731 7.719 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.192 8.465 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.232 6.738 7.393 1.00 0.00 H new ATOM 1155 N TYR A 84 2.697 10.086 4.561 1.00 0.00 N ATOM 1156 CA TYR A 84 3.755 10.877 3.943 1.00 0.00 C ATOM 1157 C TYR A 84 4.354 11.861 4.942 1.00 0.00 C ATOM 1158 O TYR A 84 3.737 12.869 5.284 1.00 0.00 O ATOM 1159 CB TYR A 84 3.212 11.632 2.728 1.00 0.00 C ATOM 1160 CG TYR A 84 4.287 12.074 1.761 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.088 11.144 1.109 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.503 13.421 1.499 1.00 0.00 C ATOM 1163 CE1 TYR A 84 6.071 11.543 0.224 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.483 13.829 0.615 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.264 12.886 -0.019 1.00 0.00 C ATOM 1166 OH TYR A 84 7.243 13.289 -0.899 1.00 0.00 O ATOM 0 H TYR A 84 1.842 10.606 4.759 1.00 0.00 H new ATOM 0 HA TYR A 84 4.541 10.195 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.502 10.994 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.661 12.508 3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.939 10.091 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.894 14.162 1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.685 10.807 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.637 14.880 0.422 1.00 0.00 H new ATOM 0 HH TYR A 84 7.247 14.267 -0.958 1.00 0.00 H new ATOM 1176 N GLY A 85 5.563 11.561 5.406 1.00 0.00 N ATOM 1177 CA GLY A 85 6.227 12.429 6.361 1.00 0.00 C ATOM 1178 C GLY A 85 5.698 12.253 7.771 1.00 0.00 C ATOM 1179 O GLY A 85 6.382 11.705 8.634 1.00 0.00 O ATOM 0 H GLY A 85 6.094 10.733 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.298 12.224 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.098 13.467 6.055 1.00 0.00 H new ATOM 1183 N GLY A 86 4.475 12.721 8.005 1.00 0.00 N ATOM 1184 CA GLY A 86 3.876 12.604 9.322 1.00 0.00 C ATOM 1185 C GLY A 86 2.365 12.707 9.282 1.00 0.00 C ATOM 1186 O GLY A 86 1.732 13.037 10.285 1.00 0.00 O ATOM 0 H GLY A 86 3.889 13.179 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.161 11.649 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.273 13.386 9.969 1.00 0.00 H new ATOM 1190 N ALA A 87 1.784 12.426 8.120 1.00 0.00 N ATOM 1191 CA ALA A 87 0.337 12.489 7.954 1.00 0.00 C ATOM 1192 C ALA A 87 -0.177 11.288 7.167 1.00 0.00 C ATOM 1193 O ALA A 87 0.580 10.630 6.453 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.059 13.785 7.262 1.00 0.00 C ATOM 0 H ALA A 87 2.293 12.153 7.280 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.119 12.465 8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.142 13.819 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.267 14.633 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.414 13.833 6.281 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.470 11.008 7.301 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.086 9.886 6.602 1.00 0.00 C ATOM 1202 C HIS A 88 -2.741 10.348 5.304 1.00 0.00 C ATOM 1203 O HIS A 88 -3.454 11.352 5.281 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.123 9.207 7.498 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.538 8.181 8.419 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.608 6.825 8.177 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.870 8.319 9.588 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -2.009 6.174 9.157 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.552 7.057 10.026 1.00 0.00 N ATOM 0 H HIS A 88 -2.111 11.543 7.887 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.303 9.168 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.633 9.967 8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.878 8.732 6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.632 9.248 10.084 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.910 5.101 9.235 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.045 6.837 10.883 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.495 9.610 4.227 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.062 9.945 2.927 1.00 0.00 C ATOM 1220 C ILE A 89 -4.545 9.596 2.868 1.00 0.00 C ATOM 1221 O ILE A 89 -5.020 8.680 3.539 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.328 9.212 1.788 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.574 7.705 1.879 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.838 9.515 1.837 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.293 6.968 0.589 1.00 0.00 C ATOM 0 H ILE A 89 -1.907 8.777 4.229 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.939 11.020 2.796 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.720 9.568 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.948 7.290 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.610 7.531 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.333 8.990 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.681 10.588 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.431 9.184 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.489 5.905 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.938 7.356 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.250 7.111 0.308 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.296 10.342 2.044 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.736 10.130 1.875 1.00 0.00 C ATOM 1239 C PRO A 90 -7.048 8.830 1.141 1.00 0.00 C ATOM 1240 O PRO A 90 -7.150 8.808 -0.085 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.177 11.335 1.040 1.00 0.00 C ATOM 1242 CG PRO A 90 -5.953 11.752 0.301 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.796 11.451 1.213 1.00 0.00 C ATOM 0 HA PRO A 90 -7.251 10.047 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.982 11.069 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.551 12.140 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.861 11.208 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.989 12.813 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.907 11.164 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.526 12.316 1.818 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.199 7.749 1.899 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.498 6.460 1.302 1.00 0.00 C ATOM 1253 C GLY A 91 -7.072 5.301 2.181 1.00 0.00 C ATOM 1254 O GLY A 91 -7.537 4.175 2.004 1.00 0.00 O ATOM 0 H GLY A 91 -7.120 7.742 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.569 6.392 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.996 6.384 0.338 1.00 0.00 H new ATOM 1258 N SER A 92 -6.183 5.576 3.130 1.00 0.00 N ATOM 1259 CA SER A 92 -5.688 4.546 4.036 1.00 0.00 C ATOM 1260 C SER A 92 -6.345 4.669 5.408 1.00 0.00 C ATOM 1261 O SER A 92 -6.768 5.747 5.828 1.00 0.00 O ATOM 1262 CB SER A 92 -4.168 4.645 4.175 1.00 0.00 C ATOM 1263 OG SER A 92 -3.745 4.231 5.462 1.00 0.00 O ATOM 0 H SER A 92 -5.791 6.504 3.292 1.00 0.00 H new ATOM 0 HA SER A 92 -5.944 3.574 3.615 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.689 4.027 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.850 5.672 3.997 1.00 0.00 H new ATOM 0 HG SER A 92 -3.280 4.970 5.907 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.432 3.539 6.125 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.933 2.251 5.636 1.00 0.00 C ATOM 1271 C PRO A 93 -6.771 1.702 4.486 1.00 0.00 C ATOM 1272 O PRO A 93 -7.976 1.945 4.413 1.00 0.00 O ATOM 1273 CB PRO A 93 -6.043 1.339 6.860 1.00 0.00 C ATOM 1274 CG PRO A 93 -7.121 1.947 7.690 1.00 0.00 C ATOM 1275 CD PRO A 93 -7.026 3.432 7.468 1.00 0.00 C ATOM 0 HA PRO A 93 -4.922 2.332 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.294 0.318 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.101 1.294 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.100 1.570 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.989 1.700 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.005 3.908 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.403 3.912 8.222 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.127 0.962 3.591 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.815 0.379 2.444 1.00 0.00 C ATOM 1285 C PHE A 94 -7.121 -1.096 2.685 1.00 0.00 C ATOM 1286 O PHE A 94 -6.244 -1.951 2.561 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.966 0.535 1.181 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.747 1.966 0.778 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.778 2.735 1.402 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.511 2.541 -0.225 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.576 4.051 1.034 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.313 3.858 -0.598 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.343 4.613 0.032 1.00 0.00 C ATOM 0 H PHE A 94 -5.130 0.751 3.637 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.757 0.910 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.999 0.059 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.449 0.005 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.174 2.301 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.270 1.954 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.819 4.640 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.916 4.295 -1.380 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.184 5.641 -0.258 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.371 -1.386 3.032 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.794 -2.756 3.292 1.00 0.00 C ATOM 1305 C ARG A 95 -8.663 -3.614 2.037 1.00 0.00 C ATOM 1306 O ARG A 95 -9.153 -3.247 0.968 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.239 -2.781 3.792 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.545 -3.949 4.715 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.406 -5.280 3.993 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.089 -5.277 2.702 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.406 -5.376 2.568 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.179 -5.486 3.639 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.954 -5.366 1.359 1.00 0.00 N ATOM 0 H ARG A 95 -9.108 -0.690 3.139 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.144 -3.169 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.449 -1.849 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.910 -2.821 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.869 -3.925 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.558 -3.850 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.349 -5.503 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.814 -6.075 4.617 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.523 -5.194 1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.762 -5.495 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.191 -5.562 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.363 -5.282 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.966 -5.442 1.257 1.00 0.00 H new ATOM 1327 N VAL A 96 -8.000 -4.757 2.173 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.805 -5.667 1.051 1.00 0.00 C ATOM 1329 C VAL A 96 -8.028 -7.115 1.472 1.00 0.00 C ATOM 1330 O VAL A 96 -7.379 -7.629 2.384 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.392 -5.529 0.455 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.253 -6.385 -0.795 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -6.083 -4.071 0.149 1.00 0.00 C ATOM 0 H VAL A 96 -7.588 -5.075 3.050 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.539 -5.395 0.293 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.670 -5.883 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.248 -6.274 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.429 -7.430 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.983 -6.064 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.080 -3.992 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.809 -3.688 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.138 -3.487 1.068 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.967 -7.791 0.794 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.297 -9.190 1.080 1.00 0.00 C ATOM 1345 C PRO A 97 -8.179 -10.144 0.674 1.00 0.00 C ATOM 1346 O PRO A 97 -7.947 -10.376 -0.513 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.547 -9.440 0.232 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.453 -8.455 -0.881 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.780 -7.241 -0.304 1.00 0.00 C ATOM 0 HA PRO A 97 -9.446 -9.364 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.571 -10.462 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.456 -9.293 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.879 -8.861 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.442 -8.207 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.163 -6.733 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.506 -6.513 0.059 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.488 -10.695 1.667 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.394 -11.625 1.413 1.00 0.00 C ATOM 1359 C VAL A 98 -6.886 -13.068 1.426 1.00 0.00 C ATOM 1360 O VAL A 98 -7.065 -13.665 2.487 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.270 -11.468 2.454 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.155 -12.469 2.193 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.732 -10.045 2.447 1.00 0.00 C ATOM 0 H VAL A 98 -7.666 -10.513 2.655 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.999 -11.387 0.425 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.684 -11.671 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.370 -12.342 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.554 -13.482 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.741 -12.301 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.939 -9.952 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.335 -9.811 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.537 -9.351 2.688 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.102 -13.624 0.238 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.571 -14.999 0.111 1.00 0.00 C ATOM 1375 C LYS A 99 -6.398 -15.970 0.039 1.00 0.00 C ATOM 1376 O LYS A 99 -5.265 -15.571 -0.231 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.447 -15.147 -1.135 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.512 -14.071 -1.261 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.004 -13.938 -2.693 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.404 -13.346 -2.749 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.430 -11.939 -2.263 1.00 0.00 N ATOM 0 H LYS A 99 -6.960 -13.143 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.163 -15.238 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.812 -15.123 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.930 -16.124 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.351 -14.310 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.108 -13.116 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.318 -13.306 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.003 -14.917 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.774 -13.383 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.079 -13.952 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.092 -11.859 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.477 -11.662 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.738 -11.311 -3.033 1.00 0.00 H new