USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 669 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -4.64! K(o=-4.6!,f=-3.4) USER MOD Set 2.1: A 52 SER OG : rot 110:sc= 0.024 USER MOD Set 2.2: A 73 THR OG1 : rot 129:sc= 0.024 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.0892 USER MOD Single : A 22 SER OG : rot 180:sc= -0.411 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 63:sc=0.000925 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.9) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.322 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -19:sc= 0.916 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.321) USER MOD Single : A 92 SER OG : rot 14:sc= -1.15! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.701 17.564 -3.837 1.00 0.00 N ATOM 86 CA GLY A 9 12.467 18.196 -4.266 1.00 0.00 C ATOM 87 C GLY A 9 11.357 18.052 -3.243 1.00 0.00 C ATOM 88 O GLY A 9 11.551 18.337 -2.062 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.650 19.254 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.146 17.756 -5.210 1.00 0.00 H new ATOM 92 N ASP A 10 10.189 17.610 -3.698 1.00 0.00 N ATOM 93 CA ASP A 10 9.043 17.429 -2.815 1.00 0.00 C ATOM 94 C ASP A 10 8.213 16.223 -3.242 1.00 0.00 C ATOM 95 O ASP A 10 7.694 16.178 -4.357 1.00 0.00 O ATOM 96 CB ASP A 10 8.173 18.687 -2.809 1.00 0.00 C ATOM 97 CG ASP A 10 7.417 18.862 -1.507 1.00 0.00 C ATOM 98 OD1 ASP A 10 7.990 19.442 -0.561 1.00 0.00 O ATOM 99 OD2 ASP A 10 6.252 18.420 -1.434 1.00 0.00 O ATOM 0 H ASP A 10 10.011 17.371 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 10 9.417 17.251 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.802 19.561 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.463 18.638 -3.634 1.00 0.00 H new ATOM 104 N ALA A 11 8.092 15.247 -2.348 1.00 0.00 N ATOM 105 CA ALA A 11 7.324 14.041 -2.633 1.00 0.00 C ATOM 106 C ALA A 11 5.930 14.386 -3.145 1.00 0.00 C ATOM 107 O ALA A 11 5.451 13.796 -4.113 1.00 0.00 O ATOM 108 CB ALA A 11 7.231 13.170 -1.389 1.00 0.00 C ATOM 0 H ALA A 11 8.516 15.268 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 11 7.842 13.486 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.655 12.273 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.233 12.886 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.738 13.726 -0.592 1.00 0.00 H new ATOM 114 N ARG A 12 5.284 15.345 -2.490 1.00 0.00 N ATOM 115 CA ARG A 12 3.944 15.767 -2.879 1.00 0.00 C ATOM 116 C ARG A 12 3.838 15.910 -4.394 1.00 0.00 C ATOM 117 O ARG A 12 2.784 15.657 -4.979 1.00 0.00 O ATOM 118 CB ARG A 12 3.588 17.093 -2.204 1.00 0.00 C ATOM 119 CG ARG A 12 3.578 17.020 -0.686 1.00 0.00 C ATOM 120 CD ARG A 12 2.205 16.639 -0.155 1.00 0.00 C ATOM 121 NE ARG A 12 2.032 17.026 1.243 1.00 0.00 N ATOM 122 CZ ARG A 12 2.491 16.312 2.265 1.00 0.00 C ATOM 123 NH1 ARG A 12 3.148 15.181 2.046 1.00 0.00 N ATOM 124 NH2 ARG A 12 2.294 16.730 3.509 1.00 0.00 N ATOM 0 H ARG A 12 5.667 15.844 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 12 3.240 15.001 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.302 17.854 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.606 17.415 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.314 16.289 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.874 17.984 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.436 17.118 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.064 15.563 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 12 1.532 17.891 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.302 14.857 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.499 14.635 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.790 17.600 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.647 16.181 4.293 1.00 0.00 H new ATOM 138 N ARG A 13 4.935 16.318 -5.023 1.00 0.00 N ATOM 139 CA ARG A 13 4.965 16.497 -6.470 1.00 0.00 C ATOM 140 C ARG A 13 5.037 15.150 -7.183 1.00 0.00 C ATOM 141 O ARG A 13 4.455 14.970 -8.253 1.00 0.00 O ATOM 142 CB ARG A 13 6.158 17.364 -6.874 1.00 0.00 C ATOM 143 CG ARG A 13 6.135 18.755 -6.262 1.00 0.00 C ATOM 144 CD ARG A 13 5.246 19.699 -7.058 1.00 0.00 C ATOM 145 NE ARG A 13 5.955 20.297 -8.186 1.00 0.00 N ATOM 146 CZ ARG A 13 5.599 21.445 -8.752 1.00 0.00 C ATOM 147 NH1 ARG A 13 4.549 22.115 -8.297 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.294 21.925 -9.775 1.00 0.00 N ATOM 0 H ARG A 13 5.815 16.531 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 13 4.044 16.998 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.079 16.861 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.179 17.454 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.777 18.696 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.149 19.154 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.376 19.155 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.876 20.488 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 13 6.768 19.807 -8.560 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.012 21.749 -7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.278 22.996 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.102 21.413 -10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.020 22.806 -10.209 1.00 0.00 H new ATOM 162 N ALA A 14 5.755 14.206 -6.583 1.00 0.00 N ATOM 163 CA ALA A 14 5.901 12.875 -7.159 1.00 0.00 C ATOM 164 C ALA A 14 4.543 12.269 -7.495 1.00 0.00 C ATOM 165 O ALA A 14 3.580 12.424 -6.744 1.00 0.00 O ATOM 166 CB ALA A 14 6.665 11.968 -6.205 1.00 0.00 C ATOM 0 H ALA A 14 6.245 14.339 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 14 6.467 12.968 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.767 10.977 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.654 12.386 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.122 11.890 -5.263 1.00 0.00 H new ATOM 172 N LYS A 15 4.472 11.580 -8.628 1.00 0.00 N ATOM 173 CA LYS A 15 3.231 10.949 -9.064 1.00 0.00 C ATOM 174 C LYS A 15 3.429 9.453 -9.283 1.00 0.00 C ATOM 175 O LYS A 15 4.489 9.016 -9.731 1.00 0.00 O ATOM 176 CB LYS A 15 2.729 11.602 -10.354 1.00 0.00 C ATOM 177 CG LYS A 15 1.940 12.879 -10.122 1.00 0.00 C ATOM 178 CD LYS A 15 1.323 13.395 -11.411 1.00 0.00 C ATOM 179 CE LYS A 15 0.984 14.875 -11.314 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.197 15.117 -10.440 1.00 0.00 N ATOM 0 H LYS A 15 5.259 11.444 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 15 2.487 11.088 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.582 11.823 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.102 10.890 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.154 12.694 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.595 13.641 -9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.015 13.233 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.420 12.828 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.843 15.420 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.785 15.268 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.396 16.137 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.023 14.618 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.002 14.765 -9.482 1.00 0.00 H new ATOM 194 N VAL A 16 2.401 8.672 -8.966 1.00 0.00 N ATOM 195 CA VAL A 16 2.461 7.225 -9.131 1.00 0.00 C ATOM 196 C VAL A 16 1.202 6.696 -9.809 1.00 0.00 C ATOM 197 O VAL A 16 0.085 7.029 -9.414 1.00 0.00 O ATOM 198 CB VAL A 16 2.639 6.513 -7.777 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.078 6.625 -7.299 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.679 7.085 -6.744 1.00 0.00 C ATOM 0 H VAL A 16 1.517 9.018 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 16 3.325 7.014 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 16 2.407 5.456 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.184 6.116 -6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.741 6.163 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.342 7.676 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.818 6.570 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.877 8.149 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.653 6.946 -7.085 1.00 0.00 H new ATOM 210 N TYR A 17 1.391 5.870 -10.832 1.00 0.00 N ATOM 211 CA TYR A 17 0.271 5.296 -11.568 1.00 0.00 C ATOM 212 C TYR A 17 0.607 3.893 -12.066 1.00 0.00 C ATOM 213 O TYR A 17 1.694 3.652 -12.590 1.00 0.00 O ATOM 214 CB TYR A 17 -0.104 6.192 -12.749 1.00 0.00 C ATOM 215 CG TYR A 17 1.082 6.877 -13.389 1.00 0.00 C ATOM 216 CD1 TYR A 17 1.803 6.258 -14.403 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.480 8.145 -12.982 1.00 0.00 C ATOM 218 CE1 TYR A 17 2.888 6.880 -14.990 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.563 8.775 -13.564 1.00 0.00 C ATOM 220 CZ TYR A 17 3.264 8.139 -14.567 1.00 0.00 C ATOM 221 OH TYR A 17 4.343 8.762 -15.151 1.00 0.00 O ATOM 0 H TYR A 17 2.309 5.583 -11.170 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.579 5.227 -10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.616 5.592 -13.501 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.811 6.949 -12.410 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.510 5.274 -14.738 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.933 8.646 -12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.439 6.384 -15.775 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.859 9.760 -13.235 1.00 0.00 H new ATOM 0 HH TYR A 17 4.211 9.733 -15.129 1.00 0.00 H new ATOM 231 N GLY A 18 -0.335 2.971 -11.898 1.00 0.00 N ATOM 232 CA GLY A 18 -0.121 1.604 -12.335 1.00 0.00 C ATOM 233 C GLY A 18 -1.039 0.620 -11.635 1.00 0.00 C ATOM 234 O GLY A 18 -1.455 0.850 -10.500 1.00 0.00 O ATOM 0 H GLY A 18 -1.243 3.146 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.279 1.541 -13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.916 1.324 -12.149 1.00 0.00 H new ATOM 238 N ARG A 19 -1.356 -0.477 -12.314 1.00 0.00 N ATOM 239 CA ARG A 19 -2.232 -1.497 -11.751 1.00 0.00 C ATOM 240 C ARG A 19 -1.627 -2.095 -10.484 1.00 0.00 C ATOM 241 O ARG A 19 -2.334 -2.368 -9.515 1.00 0.00 O ATOM 242 CB ARG A 19 -2.489 -2.602 -12.777 1.00 0.00 C ATOM 243 CG ARG A 19 -3.603 -2.276 -13.758 1.00 0.00 C ATOM 244 CD ARG A 19 -3.517 -3.139 -15.007 1.00 0.00 C ATOM 245 NE ARG A 19 -2.271 -2.922 -15.738 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.130 -3.162 -17.037 1.00 0.00 C ATOM 247 NH1 ARG A 19 -3.152 -3.624 -17.744 1.00 0.00 N ATOM 248 NH2 ARG A 19 -0.965 -2.939 -17.631 1.00 0.00 N ATOM 0 H ARG A 19 -1.019 -0.682 -13.255 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.179 -1.024 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.571 -2.790 -13.333 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.738 -3.524 -12.251 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.569 -2.427 -13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.547 -1.224 -14.037 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.595 -4.190 -14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.363 -2.919 -15.659 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.465 -2.567 -15.223 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.049 -3.796 -17.291 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.041 -3.807 -18.741 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.177 -2.583 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.857 -3.124 -18.628 1.00 0.00 H new ATOM 262 N GLY A 20 -0.313 -2.297 -10.500 1.00 0.00 N ATOM 263 CA GLY A 20 0.365 -2.862 -9.348 1.00 0.00 C ATOM 264 C GLY A 20 0.205 -2.009 -8.106 1.00 0.00 C ATOM 265 O GLY A 20 0.590 -2.417 -7.009 1.00 0.00 O ATOM 0 H GLY A 20 0.294 -2.079 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.027 -3.860 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.425 -2.975 -9.574 1.00 0.00 H new ATOM 269 N LEU A 21 -0.363 -0.820 -8.275 1.00 0.00 N ATOM 270 CA LEU A 21 -0.572 0.095 -7.158 1.00 0.00 C ATOM 271 C LEU A 21 -2.042 0.135 -6.755 1.00 0.00 C ATOM 272 O LEU A 21 -2.376 0.484 -5.622 1.00 0.00 O ATOM 273 CB LEU A 21 -0.093 1.500 -7.528 1.00 0.00 C ATOM 274 CG LEU A 21 1.360 1.615 -7.990 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.599 2.953 -8.672 1.00 0.00 C ATOM 276 CD2 LEU A 21 2.309 1.436 -6.814 1.00 0.00 C ATOM 0 H LEU A 21 -0.687 -0.467 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 21 0.008 -0.268 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.736 1.884 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.230 2.148 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 21 1.555 0.823 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.638 3.017 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.944 3.041 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.386 3.761 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.339 1.521 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.113 2.206 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.156 0.453 -6.369 1.00 0.00 H new ATOM 288 N SER A 22 -2.916 -0.226 -7.688 1.00 0.00 N ATOM 289 CA SER A 22 -4.352 -0.229 -7.431 1.00 0.00 C ATOM 290 C SER A 22 -4.845 -1.639 -7.121 1.00 0.00 C ATOM 291 O SER A 22 -5.368 -1.901 -6.038 1.00 0.00 O ATOM 292 CB SER A 22 -5.109 0.335 -8.635 1.00 0.00 C ATOM 293 OG SER A 22 -4.690 -0.287 -9.837 1.00 0.00 O ATOM 0 H SER A 22 -2.656 -0.520 -8.629 1.00 0.00 H new ATOM 0 HA SER A 22 -4.542 0.403 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.180 0.185 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.944 1.410 -8.701 1.00 0.00 H new ATOM 0 HG SER A 22 -5.189 0.089 -10.591 1.00 0.00 H new ATOM 299 N GLU A 23 -4.673 -2.543 -8.080 1.00 0.00 N ATOM 300 CA GLU A 23 -5.102 -3.927 -7.911 1.00 0.00 C ATOM 301 C GLU A 23 -3.946 -4.890 -8.168 1.00 0.00 C ATOM 302 O GLU A 23 -2.824 -4.469 -8.447 1.00 0.00 O ATOM 303 CB GLU A 23 -6.264 -4.244 -8.854 1.00 0.00 C ATOM 304 CG GLU A 23 -5.975 -3.913 -10.309 1.00 0.00 C ATOM 305 CD GLU A 23 -6.734 -4.804 -11.272 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.897 -5.146 -10.974 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.164 -5.160 -12.325 1.00 0.00 O ATOM 0 H GLU A 23 -4.240 -2.342 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.436 -4.053 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.508 -5.303 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.144 -3.688 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.237 -2.872 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.905 -4.012 -10.495 1.00 0.00 H new ATOM 314 N GLY A 24 -4.230 -6.185 -8.071 1.00 0.00 N ATOM 315 CA GLY A 24 -3.205 -7.188 -8.295 1.00 0.00 C ATOM 316 C GLY A 24 -3.722 -8.599 -8.099 1.00 0.00 C ATOM 317 O GLY A 24 -4.843 -8.797 -7.631 1.00 0.00 O ATOM 0 H GLY A 24 -5.151 -6.558 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.815 -7.085 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.373 -7.011 -7.613 1.00 0.00 H new ATOM 321 N ARG A 25 -2.904 -9.583 -8.460 1.00 0.00 N ATOM 322 CA ARG A 25 -3.286 -10.983 -8.325 1.00 0.00 C ATOM 323 C ARG A 25 -2.082 -11.841 -7.950 1.00 0.00 C ATOM 324 O ARG A 25 -0.937 -11.476 -8.218 1.00 0.00 O ATOM 325 CB ARG A 25 -3.904 -11.493 -9.627 1.00 0.00 C ATOM 326 CG ARG A 25 -5.407 -11.280 -9.713 1.00 0.00 C ATOM 327 CD ARG A 25 -6.018 -12.075 -10.856 1.00 0.00 C ATOM 328 NE ARG A 25 -7.460 -11.865 -10.960 1.00 0.00 N ATOM 329 CZ ARG A 25 -8.164 -12.128 -12.055 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.563 -12.610 -13.134 1.00 0.00 N ATOM 331 NH2 ARG A 25 -9.473 -11.911 -12.071 1.00 0.00 N ATOM 0 H ARG A 25 -1.972 -9.436 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.025 -11.057 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.426 -10.990 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.690 -12.557 -9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.872 -11.577 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.618 -10.220 -9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.541 -11.787 -11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.816 -13.136 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.953 -11.496 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.557 -12.780 -13.125 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.106 -12.811 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.939 -11.542 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.013 -12.113 -12.912 1.00 0.00 H new ATOM 345 N THR A 26 -2.347 -12.986 -7.327 1.00 0.00 N ATOM 346 CA THR A 26 -1.286 -13.895 -6.914 1.00 0.00 C ATOM 347 C THR A 26 -0.570 -14.489 -8.122 1.00 0.00 C ATOM 348 O THR A 26 -1.169 -14.681 -9.180 1.00 0.00 O ATOM 349 CB THR A 26 -1.836 -15.041 -6.044 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.879 -15.731 -6.743 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.371 -14.509 -4.723 1.00 0.00 C ATOM 0 H THR A 26 -3.288 -13.305 -7.098 1.00 0.00 H new ATOM 0 HA THR A 26 -0.579 -13.309 -6.327 1.00 0.00 H new ATOM 0 HB THR A 26 -1.020 -15.733 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.222 -16.459 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.754 -15.337 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.568 -14.010 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.175 -13.798 -4.916 1.00 0.00 H new ATOM 359 N PHE A 27 0.717 -14.778 -7.957 1.00 0.00 N ATOM 360 CA PHE A 27 1.516 -15.350 -9.034 1.00 0.00 C ATOM 361 C PHE A 27 1.394 -14.513 -10.305 1.00 0.00 C ATOM 362 O PHE A 27 1.296 -15.052 -11.407 1.00 0.00 O ATOM 363 CB PHE A 27 1.078 -16.789 -9.314 1.00 0.00 C ATOM 364 CG PHE A 27 1.532 -17.768 -8.269 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.285 -17.532 -6.926 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.208 -18.923 -8.629 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.701 -18.431 -5.962 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.626 -19.825 -7.670 1.00 0.00 C ATOM 369 CZ PHE A 27 2.374 -19.578 -6.334 1.00 0.00 C ATOM 0 H PHE A 27 1.228 -14.625 -7.088 1.00 0.00 H new ATOM 0 HA PHE A 27 2.559 -15.350 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.009 -16.822 -9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.469 -17.097 -10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.761 -16.635 -6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.410 -19.120 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.500 -18.237 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.149 -20.723 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.703 -20.280 -5.582 1.00 0.00 H new ATOM 379 N GLU A 28 1.400 -13.194 -10.140 1.00 0.00 N ATOM 380 CA GLU A 28 1.289 -12.283 -11.274 1.00 0.00 C ATOM 381 C GLU A 28 2.192 -11.068 -11.086 1.00 0.00 C ATOM 382 O GLU A 28 1.997 -10.273 -10.167 1.00 0.00 O ATOM 383 CB GLU A 28 -0.162 -11.831 -11.453 1.00 0.00 C ATOM 384 CG GLU A 28 -1.092 -12.940 -11.915 1.00 0.00 C ATOM 385 CD GLU A 28 -1.033 -13.165 -13.413 1.00 0.00 C ATOM 386 OE1 GLU A 28 0.003 -13.665 -13.899 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.024 -12.840 -14.101 1.00 0.00 O ATOM 0 H GLU A 28 1.480 -12.733 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 28 1.609 -12.817 -12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.528 -11.431 -10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.193 -11.017 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.831 -13.865 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.115 -12.694 -11.628 1.00 0.00 H new ATOM 394 N MET A 29 3.182 -10.932 -11.962 1.00 0.00 N ATOM 395 CA MET A 29 4.115 -9.814 -11.893 1.00 0.00 C ATOM 396 C MET A 29 3.388 -8.486 -12.080 1.00 0.00 C ATOM 397 O MET A 29 2.950 -8.157 -13.182 1.00 0.00 O ATOM 398 CB MET A 29 5.205 -9.965 -12.957 1.00 0.00 C ATOM 399 CG MET A 29 6.296 -8.911 -12.863 1.00 0.00 C ATOM 400 SD MET A 29 7.889 -9.505 -13.463 1.00 0.00 S ATOM 401 CE MET A 29 8.768 -9.734 -11.920 1.00 0.00 C ATOM 0 H MET A 29 3.359 -11.582 -12.728 1.00 0.00 H new ATOM 0 HA MET A 29 4.577 -9.820 -10.906 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.657 -10.953 -12.865 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.747 -9.915 -13.945 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.999 -8.034 -13.439 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.399 -8.592 -11.826 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.774 -10.100 -12.125 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.829 -8.783 -11.391 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.237 -10.459 -11.303 1.00 0.00 H new ATOM 411 N SER A 30 3.262 -7.728 -10.995 1.00 0.00 N ATOM 412 CA SER A 30 2.583 -6.438 -11.038 1.00 0.00 C ATOM 413 C SER A 30 3.580 -5.295 -10.877 1.00 0.00 C ATOM 414 O SER A 30 4.155 -5.105 -9.805 1.00 0.00 O ATOM 415 CB SER A 30 1.519 -6.361 -9.942 1.00 0.00 C ATOM 416 OG SER A 30 0.468 -7.280 -10.185 1.00 0.00 O ATOM 0 H SER A 30 3.621 -7.985 -10.076 1.00 0.00 H new ATOM 0 HA SER A 30 2.100 -6.341 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.974 -6.572 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.117 -5.349 -9.892 1.00 0.00 H new ATOM 0 HG SER A 30 0.822 -8.194 -10.167 1.00 0.00 H new ATOM 422 N ASP A 31 3.779 -4.536 -11.949 1.00 0.00 N ATOM 423 CA ASP A 31 4.705 -3.410 -11.928 1.00 0.00 C ATOM 424 C ASP A 31 3.963 -2.092 -12.126 1.00 0.00 C ATOM 425 O ASP A 31 2.848 -2.068 -12.650 1.00 0.00 O ATOM 426 CB ASP A 31 5.770 -3.578 -13.013 1.00 0.00 C ATOM 427 CG ASP A 31 5.216 -4.205 -14.276 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.531 -3.494 -15.041 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.468 -5.407 -14.501 1.00 0.00 O ATOM 0 H ASP A 31 3.311 -4.680 -12.844 1.00 0.00 H new ATOM 0 HA ASP A 31 5.191 -3.389 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.198 -2.604 -13.252 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.581 -4.197 -12.629 1.00 0.00 H new ATOM 434 N PHE A 32 4.587 -0.998 -11.704 1.00 0.00 N ATOM 435 CA PHE A 32 3.985 0.324 -11.833 1.00 0.00 C ATOM 436 C PHE A 32 5.040 1.371 -12.179 1.00 0.00 C ATOM 437 O PHE A 32 6.239 1.122 -12.058 1.00 0.00 O ATOM 438 CB PHE A 32 3.271 0.712 -10.536 1.00 0.00 C ATOM 439 CG PHE A 32 4.137 0.586 -9.315 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.191 -0.604 -8.607 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.896 1.658 -8.874 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.987 -0.723 -7.483 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.694 1.545 -7.752 1.00 0.00 C ATOM 444 CZ PHE A 32 5.739 0.353 -7.055 1.00 0.00 C ATOM 0 H PHE A 32 5.510 -1.000 -11.269 1.00 0.00 H new ATOM 0 HA PHE A 32 3.257 0.286 -12.643 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.919 1.740 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.390 0.082 -10.413 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.604 -1.448 -8.937 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.863 2.593 -9.414 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.021 -1.656 -6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.282 2.388 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.361 0.263 -6.177 1.00 0.00 H new ATOM 454 N ILE A 33 4.583 2.542 -12.609 1.00 0.00 N ATOM 455 CA ILE A 33 5.487 3.627 -12.972 1.00 0.00 C ATOM 456 C ILE A 33 5.602 4.647 -11.844 1.00 0.00 C ATOM 457 O ILE A 33 4.647 4.881 -11.104 1.00 0.00 O ATOM 458 CB ILE A 33 5.019 4.345 -14.252 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.425 3.542 -15.490 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.598 5.750 -14.312 1.00 0.00 C ATOM 461 CD1 ILE A 33 6.914 3.300 -15.592 1.00 0.00 C ATOM 0 H ILE A 33 3.593 2.764 -12.715 1.00 0.00 H new ATOM 0 HA ILE A 33 6.463 3.177 -13.153 1.00 0.00 H new ATOM 0 HB ILE A 33 3.932 4.422 -14.232 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.909 2.582 -15.475 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.089 4.071 -16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.259 6.245 -15.222 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.264 6.318 -13.444 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.687 5.695 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.128 2.725 -16.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.436 4.256 -15.639 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.253 2.744 -14.718 1.00 0.00 H new ATOM 473 N VAL A 34 6.779 5.253 -11.720 1.00 0.00 N ATOM 474 CA VAL A 34 7.019 6.251 -10.684 1.00 0.00 C ATOM 475 C VAL A 34 7.521 7.558 -11.286 1.00 0.00 C ATOM 476 O VAL A 34 8.671 7.655 -11.716 1.00 0.00 O ATOM 477 CB VAL A 34 8.043 5.749 -9.648 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.535 6.899 -8.783 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.437 4.648 -8.791 1.00 0.00 C ATOM 0 H VAL A 34 7.581 5.070 -12.324 1.00 0.00 H new ATOM 0 HA VAL A 34 6.065 6.426 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 34 8.899 5.334 -10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.257 6.525 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.010 7.651 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.691 7.346 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.174 4.305 -8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.563 5.035 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.139 3.814 -9.427 1.00 0.00 H new ATOM 489 N ASP A 35 6.651 8.562 -11.314 1.00 0.00 N ATOM 490 CA ASP A 35 7.007 9.866 -11.863 1.00 0.00 C ATOM 491 C ASP A 35 7.656 10.745 -10.798 1.00 0.00 C ATOM 492 O ASP A 35 6.996 11.196 -9.862 1.00 0.00 O ATOM 493 CB ASP A 35 5.766 10.560 -12.427 1.00 0.00 C ATOM 494 CG ASP A 35 6.059 11.969 -12.905 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.714 12.725 -12.158 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.631 12.317 -14.026 1.00 0.00 O ATOM 0 H ASP A 35 5.695 8.498 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 35 7.726 9.711 -12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.370 9.973 -13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.992 10.593 -11.661 1.00 0.00 H new ATOM 501 N THR A 36 8.956 10.983 -10.947 1.00 0.00 N ATOM 502 CA THR A 36 9.696 11.805 -9.998 1.00 0.00 C ATOM 503 C THR A 36 10.556 12.837 -10.718 1.00 0.00 C ATOM 504 O THR A 36 11.608 13.238 -10.220 1.00 0.00 O ATOM 505 CB THR A 36 10.597 10.944 -9.092 1.00 0.00 C ATOM 506 OG1 THR A 36 11.089 9.814 -9.821 1.00 0.00 O ATOM 507 CG2 THR A 36 9.834 10.469 -7.865 1.00 0.00 C ATOM 0 H THR A 36 9.518 10.618 -11.716 1.00 0.00 H new ATOM 0 HA THR A 36 8.958 12.318 -9.382 1.00 0.00 H new ATOM 0 HB THR A 36 11.436 11.557 -8.764 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.662 9.273 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.490 9.863 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.486 11.331 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.978 9.872 -8.178 1.00 0.00 H new ATOM 515 N ARG A 37 10.102 13.263 -11.892 1.00 0.00 N ATOM 516 CA ARG A 37 10.831 14.249 -12.681 1.00 0.00 C ATOM 517 C ARG A 37 10.427 15.667 -12.287 1.00 0.00 C ATOM 518 O ARG A 37 11.280 16.519 -12.039 1.00 0.00 O ATOM 519 CB ARG A 37 10.575 14.030 -14.173 1.00 0.00 C ATOM 520 CG ARG A 37 10.937 12.634 -14.655 1.00 0.00 C ATOM 521 CD ARG A 37 9.755 11.683 -14.546 1.00 0.00 C ATOM 522 NE ARG A 37 8.566 12.211 -15.210 1.00 0.00 N ATOM 523 CZ ARG A 37 8.362 12.137 -16.520 1.00 0.00 C ATOM 524 NH1 ARG A 37 9.263 11.561 -17.304 1.00 0.00 N ATOM 525 NH2 ARG A 37 7.254 12.640 -17.050 1.00 0.00 N ATOM 0 H ARG A 37 9.233 12.941 -12.318 1.00 0.00 H new ATOM 0 HA ARG A 37 11.895 14.124 -12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.522 14.216 -14.383 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.148 14.762 -14.743 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.273 12.681 -15.691 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.770 12.249 -14.067 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.020 10.722 -14.987 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.532 11.500 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 37 7.853 12.661 -14.636 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.116 11.173 -16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.103 11.506 -18.310 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.558 13.084 -16.451 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.098 12.583 -18.056 1.00 0.00 H new ATOM 539 N ASP A 38 9.123 15.912 -12.234 1.00 0.00 N ATOM 540 CA ASP A 38 8.606 17.226 -11.870 1.00 0.00 C ATOM 541 C ASP A 38 8.619 17.415 -10.357 1.00 0.00 C ATOM 542 O ASP A 38 8.075 18.390 -9.838 1.00 0.00 O ATOM 543 CB ASP A 38 7.185 17.405 -12.407 1.00 0.00 C ATOM 544 CG ASP A 38 6.719 18.846 -12.343 1.00 0.00 C ATOM 545 OD1 ASP A 38 7.579 19.750 -12.391 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.494 19.070 -12.245 1.00 0.00 O ATOM 0 H ASP A 38 8.404 15.218 -12.438 1.00 0.00 H new ATOM 0 HA ASP A 38 9.253 17.981 -12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.144 17.058 -13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.501 16.779 -11.833 1.00 0.00 H new ATOM 551 N ALA A 39 9.243 16.476 -9.653 1.00 0.00 N ATOM 552 CA ALA A 39 9.327 16.540 -8.199 1.00 0.00 C ATOM 553 C ALA A 39 10.698 17.036 -7.750 1.00 0.00 C ATOM 554 O ALA A 39 10.801 17.940 -6.923 1.00 0.00 O ATOM 555 CB ALA A 39 9.033 15.176 -7.593 1.00 0.00 C ATOM 0 H ALA A 39 9.698 15.662 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 39 8.579 17.251 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.099 15.239 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.029 14.860 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.759 14.451 -7.960 1.00 0.00 H new ATOM 561 N GLY A 40 11.749 16.437 -8.302 1.00 0.00 N ATOM 562 CA GLY A 40 13.099 16.830 -7.945 1.00 0.00 C ATOM 563 C GLY A 40 14.013 15.640 -7.731 1.00 0.00 C ATOM 564 O GLY A 40 14.283 14.881 -8.662 1.00 0.00 O ATOM 0 H GLY A 40 11.689 15.686 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.510 17.463 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.071 17.430 -7.036 1.00 0.00 H new ATOM 568 N TYR A 41 14.492 15.477 -6.503 1.00 0.00 N ATOM 569 CA TYR A 41 15.385 14.373 -6.171 1.00 0.00 C ATOM 570 C TYR A 41 15.145 13.889 -4.745 1.00 0.00 C ATOM 571 O TYR A 41 14.372 14.485 -3.996 1.00 0.00 O ATOM 572 CB TYR A 41 16.844 14.801 -6.338 1.00 0.00 C ATOM 573 CG TYR A 41 17.809 13.641 -6.424 1.00 0.00 C ATOM 574 CD1 TYR A 41 17.620 12.622 -7.350 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.910 13.563 -5.580 1.00 0.00 C ATOM 576 CE1 TYR A 41 18.499 11.559 -7.432 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.794 12.505 -5.655 1.00 0.00 C ATOM 578 CZ TYR A 41 19.585 11.505 -6.583 1.00 0.00 C ATOM 579 OH TYR A 41 20.464 10.449 -6.660 1.00 0.00 O ATOM 0 H TYR A 41 14.277 16.095 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 41 15.175 13.551 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.935 15.406 -7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.126 15.436 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 41 16.771 12.662 -8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.077 14.344 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.337 10.775 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.645 12.460 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 41 21.173 10.564 -5.994 1.00 0.00 H new ATOM 589 N GLY A 42 15.815 12.801 -4.375 1.00 0.00 N ATOM 590 CA GLY A 42 15.663 12.254 -3.040 1.00 0.00 C ATOM 591 C GLY A 42 15.650 10.739 -3.032 1.00 0.00 C ATOM 592 O GLY A 42 15.278 10.109 -4.021 1.00 0.00 O ATOM 0 H GLY A 42 16.460 12.289 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.478 12.610 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.736 12.624 -2.602 1.00 0.00 H new ATOM 596 N GLY A 43 16.059 10.150 -1.912 1.00 0.00 N ATOM 597 CA GLY A 43 16.087 8.704 -1.801 1.00 0.00 C ATOM 598 C GLY A 43 14.698 8.098 -1.764 1.00 0.00 C ATOM 599 O GLY A 43 13.920 8.370 -0.849 1.00 0.00 O ATOM 0 H GLY A 43 16.372 10.649 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.639 8.289 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.627 8.423 -0.897 1.00 0.00 H new ATOM 603 N ILE A 44 14.386 7.276 -2.760 1.00 0.00 N ATOM 604 CA ILE A 44 13.081 6.631 -2.836 1.00 0.00 C ATOM 605 C ILE A 44 13.089 5.287 -2.116 1.00 0.00 C ATOM 606 O ILE A 44 13.923 4.426 -2.396 1.00 0.00 O ATOM 607 CB ILE A 44 12.644 6.415 -4.298 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.578 7.754 -5.036 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.298 5.708 -4.350 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.402 7.611 -6.532 1.00 0.00 C ATOM 0 H ILE A 44 15.018 7.041 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 44 12.371 7.298 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 44 13.382 5.784 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.751 8.340 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.492 8.315 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.003 5.563 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.376 4.739 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.549 6.315 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.363 8.599 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.242 7.052 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.474 7.078 -6.740 1.00 0.00 H new ATOM 622 N SER A 45 12.153 5.114 -1.188 1.00 0.00 N ATOM 623 CA SER A 45 12.053 3.875 -0.426 1.00 0.00 C ATOM 624 C SER A 45 10.860 3.045 -0.892 1.00 0.00 C ATOM 625 O SER A 45 9.707 3.449 -0.732 1.00 0.00 O ATOM 626 CB SER A 45 11.924 4.179 1.068 1.00 0.00 C ATOM 627 OG SER A 45 12.491 3.143 1.850 1.00 0.00 O ATOM 0 H SER A 45 11.454 5.816 -0.946 1.00 0.00 H new ATOM 0 HA SER A 45 12.963 3.299 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.420 5.123 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.873 4.301 1.328 1.00 0.00 H new ATOM 0 HG SER A 45 12.397 3.362 2.801 1.00 0.00 H new ATOM 633 N LEU A 46 11.145 1.883 -1.469 1.00 0.00 N ATOM 634 CA LEU A 46 10.097 0.995 -1.960 1.00 0.00 C ATOM 635 C LEU A 46 10.137 -0.346 -1.234 1.00 0.00 C ATOM 636 O LEU A 46 11.146 -1.051 -1.267 1.00 0.00 O ATOM 637 CB LEU A 46 10.249 0.778 -3.466 1.00 0.00 C ATOM 638 CG LEU A 46 10.068 2.017 -4.344 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.908 1.903 -5.607 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.600 2.213 -4.694 1.00 0.00 C ATOM 0 H LEU A 46 12.093 1.534 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 46 9.134 1.466 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.240 0.365 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.525 0.026 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 46 10.407 2.888 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.767 2.793 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.960 1.811 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.600 1.022 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.490 3.099 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.235 1.340 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.022 2.341 -3.779 1.00 0.00 H new ATOM 652 N ALA A 47 9.033 -0.694 -0.582 1.00 0.00 N ATOM 653 CA ALA A 47 8.940 -1.953 0.147 1.00 0.00 C ATOM 654 C ALA A 47 7.487 -2.381 0.321 1.00 0.00 C ATOM 655 O ALA A 47 6.735 -1.768 1.080 1.00 0.00 O ATOM 656 CB ALA A 47 9.622 -1.829 1.502 1.00 0.00 C ATOM 0 H ALA A 47 8.190 -0.121 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 47 9.450 -2.720 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.545 -2.776 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.673 -1.577 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.137 -1.045 2.083 1.00 0.00 H new ATOM 662 N VAL A 48 7.097 -3.436 -0.386 1.00 0.00 N ATOM 663 CA VAL A 48 5.733 -3.946 -0.309 1.00 0.00 C ATOM 664 C VAL A 48 5.593 -4.975 0.807 1.00 0.00 C ATOM 665 O VAL A 48 6.168 -6.060 0.740 1.00 0.00 O ATOM 666 CB VAL A 48 5.298 -4.588 -1.640 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.895 -5.163 -1.523 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.374 -3.573 -2.771 1.00 0.00 C ATOM 0 H VAL A 48 7.706 -3.955 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 48 5.088 -3.093 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 48 5.982 -5.405 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.605 -5.612 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.877 -5.923 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.195 -4.366 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.063 -4.044 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.715 -2.733 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.398 -3.214 -2.869 1.00 0.00 H new ATOM 678 N GLU A 49 4.825 -4.624 1.834 1.00 0.00 N ATOM 679 CA GLU A 49 4.610 -5.518 2.966 1.00 0.00 C ATOM 680 C GLU A 49 3.211 -6.127 2.921 1.00 0.00 C ATOM 681 O GLU A 49 2.224 -5.466 3.238 1.00 0.00 O ATOM 682 CB GLU A 49 4.807 -4.765 4.283 1.00 0.00 C ATOM 683 CG GLU A 49 6.265 -4.512 4.628 1.00 0.00 C ATOM 684 CD GLU A 49 6.886 -5.653 5.410 1.00 0.00 C ATOM 685 OE1 GLU A 49 6.703 -6.820 5.002 1.00 0.00 O ATOM 686 OE2 GLU A 49 7.554 -5.381 6.429 1.00 0.00 O ATOM 0 H GLU A 49 4.342 -3.728 1.905 1.00 0.00 H new ATOM 0 HA GLU A 49 5.341 -6.324 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.285 -3.810 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.345 -5.334 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.830 -4.356 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.343 -3.593 5.209 1.00 0.00 H new ATOM 693 N GLY A 50 3.137 -7.394 2.522 1.00 0.00 N ATOM 694 CA GLY A 50 1.856 -8.071 2.441 1.00 0.00 C ATOM 695 C GLY A 50 1.848 -9.388 3.192 1.00 0.00 C ATOM 696 O GLY A 50 2.651 -9.616 4.097 1.00 0.00 O ATOM 0 H GLY A 50 3.940 -7.962 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.079 -7.422 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.609 -8.251 1.395 1.00 0.00 H new ATOM 700 N PRO A 51 0.923 -10.283 2.815 1.00 0.00 N ATOM 701 CA PRO A 51 0.791 -11.599 3.447 1.00 0.00 C ATOM 702 C PRO A 51 1.959 -12.522 3.114 1.00 0.00 C ATOM 703 O PRO A 51 1.990 -13.677 3.538 1.00 0.00 O ATOM 704 CB PRO A 51 -0.509 -12.149 2.854 1.00 0.00 C ATOM 705 CG PRO A 51 -0.655 -11.449 1.547 1.00 0.00 C ATOM 706 CD PRO A 51 -0.066 -10.079 1.743 1.00 0.00 C ATOM 0 HA PRO A 51 0.784 -11.529 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.457 -13.230 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.358 -11.949 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.135 -11.988 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.703 -11.385 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.401 -9.708 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.826 -9.352 2.030 1.00 0.00 H new ATOM 714 N SER A 52 2.919 -12.003 2.354 1.00 0.00 N ATOM 715 CA SER A 52 4.088 -12.782 1.962 1.00 0.00 C ATOM 716 C SER A 52 5.256 -11.867 1.608 1.00 0.00 C ATOM 717 O SER A 52 5.140 -10.642 1.662 1.00 0.00 O ATOM 718 CB SER A 52 3.751 -13.682 0.772 1.00 0.00 C ATOM 719 OG SER A 52 4.537 -14.861 0.787 1.00 0.00 O ATOM 0 H SER A 52 2.910 -11.047 1.998 1.00 0.00 H new ATOM 0 HA SER A 52 4.380 -13.404 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.694 -13.945 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.921 -13.140 -0.158 1.00 0.00 H new ATOM 0 HG SER A 52 3.969 -15.630 1.001 1.00 0.00 H new ATOM 725 N LYS A 53 6.383 -12.470 1.247 1.00 0.00 N ATOM 726 CA LYS A 53 7.574 -11.712 0.882 1.00 0.00 C ATOM 727 C LYS A 53 7.689 -11.575 -0.632 1.00 0.00 C ATOM 728 O LYS A 53 7.824 -12.568 -1.347 1.00 0.00 O ATOM 729 CB LYS A 53 8.827 -12.392 1.440 1.00 0.00 C ATOM 730 CG LYS A 53 10.024 -11.463 1.552 1.00 0.00 C ATOM 731 CD LYS A 53 11.188 -12.138 2.258 1.00 0.00 C ATOM 732 CE LYS A 53 12.490 -11.383 2.032 1.00 0.00 C ATOM 733 NZ LYS A 53 13.163 -11.803 0.772 1.00 0.00 N ATOM 0 H LYS A 53 6.497 -13.482 1.199 1.00 0.00 H new ATOM 0 HA LYS A 53 7.486 -10.715 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.601 -12.800 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.089 -13.234 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.335 -11.147 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.738 -10.564 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.982 -12.198 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.291 -13.161 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.288 -10.313 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.159 -11.553 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.046 -11.266 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.379 -12.819 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.535 -11.618 -0.036 1.00 0.00 H new ATOM 747 N VAL A 54 7.636 -10.337 -1.116 1.00 0.00 N ATOM 748 CA VAL A 54 7.737 -10.070 -2.546 1.00 0.00 C ATOM 749 C VAL A 54 9.041 -9.355 -2.880 1.00 0.00 C ATOM 750 O VAL A 54 9.319 -8.273 -2.362 1.00 0.00 O ATOM 751 CB VAL A 54 6.555 -9.217 -3.042 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.342 -10.094 -3.317 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.220 -8.132 -2.030 1.00 0.00 C ATOM 0 H VAL A 54 7.524 -9.504 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 54 7.716 -11.036 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 54 6.844 -8.734 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.516 -9.474 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.591 -10.831 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.048 -10.606 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.382 -7.539 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.950 -8.592 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.087 -7.487 -1.888 1.00 0.00 H new ATOM 763 N ASP A 55 9.838 -9.966 -3.750 1.00 0.00 N ATOM 764 CA ASP A 55 11.114 -9.387 -4.156 1.00 0.00 C ATOM 765 C ASP A 55 10.898 -8.141 -5.010 1.00 0.00 C ATOM 766 O ASP A 55 10.484 -8.234 -6.166 1.00 0.00 O ATOM 767 CB ASP A 55 11.941 -10.414 -4.930 1.00 0.00 C ATOM 768 CG ASP A 55 12.218 -11.664 -4.119 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.246 -12.325 -3.697 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.407 -11.982 -3.904 1.00 0.00 O ATOM 0 H ASP A 55 9.623 -10.862 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 55 11.657 -9.099 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.413 -10.687 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.886 -9.963 -5.231 1.00 0.00 H new ATOM 775 N ILE A 56 11.180 -6.978 -4.433 1.00 0.00 N ATOM 776 CA ILE A 56 11.016 -5.715 -5.142 1.00 0.00 C ATOM 777 C ILE A 56 12.177 -5.468 -6.100 1.00 0.00 C ATOM 778 O ILE A 56 13.313 -5.264 -5.674 1.00 0.00 O ATOM 779 CB ILE A 56 10.912 -4.530 -4.163 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.779 -4.765 -3.163 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.692 -3.232 -4.925 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.412 -4.402 -3.701 1.00 0.00 C ATOM 0 H ILE A 56 11.523 -6.884 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 56 10.089 -5.789 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 56 11.848 -4.450 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.777 -5.814 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.973 -4.181 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.620 -2.404 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.529 -3.061 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.768 -3.300 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.658 -4.595 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.395 -3.346 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.197 -5.004 -4.584 1.00 0.00 H new ATOM 794 N GLN A 57 11.881 -5.487 -7.395 1.00 0.00 N ATOM 795 CA GLN A 57 12.900 -5.263 -8.414 1.00 0.00 C ATOM 796 C GLN A 57 12.773 -3.867 -9.014 1.00 0.00 C ATOM 797 O GLN A 57 11.696 -3.464 -9.455 1.00 0.00 O ATOM 798 CB GLN A 57 12.788 -6.317 -9.517 1.00 0.00 C ATOM 799 CG GLN A 57 13.346 -7.674 -9.121 1.00 0.00 C ATOM 800 CD GLN A 57 13.479 -8.618 -10.300 1.00 0.00 C ATOM 801 OE1 GLN A 57 13.776 -8.195 -11.417 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.259 -9.905 -10.056 1.00 0.00 N ATOM 0 H GLN A 57 10.945 -5.655 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 57 13.877 -5.346 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.740 -6.431 -9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.315 -5.961 -10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.323 -7.539 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.696 -8.125 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.015 -10.211 -9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.334 -10.587 -10.811 1.00 0.00 H new ATOM 811 N THR A 58 13.881 -3.131 -9.027 1.00 0.00 N ATOM 812 CA THR A 58 13.893 -1.779 -9.571 1.00 0.00 C ATOM 813 C THR A 58 14.750 -1.701 -10.830 1.00 0.00 C ATOM 814 O THR A 58 15.651 -2.514 -11.029 1.00 0.00 O ATOM 815 CB THR A 58 14.421 -0.763 -8.541 1.00 0.00 C ATOM 816 OG1 THR A 58 15.667 -1.218 -7.999 1.00 0.00 O ATOM 817 CG2 THR A 58 13.417 -0.562 -7.416 1.00 0.00 C ATOM 0 H THR A 58 14.781 -3.449 -8.667 1.00 0.00 H new ATOM 0 HA THR A 58 12.862 -1.530 -9.820 1.00 0.00 H new ATOM 0 HB THR A 58 14.571 0.190 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.997 -0.566 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.812 0.160 -6.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.479 -0.189 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.240 -1.512 -6.912 1.00 0.00 H new ATOM 825 N GLU A 59 14.462 -0.716 -11.676 1.00 0.00 N ATOM 826 CA GLU A 59 15.208 -0.533 -12.915 1.00 0.00 C ATOM 827 C GLU A 59 15.016 0.879 -13.462 1.00 0.00 C ATOM 828 O GLU A 59 13.889 1.323 -13.681 1.00 0.00 O ATOM 829 CB GLU A 59 14.765 -1.560 -13.959 1.00 0.00 C ATOM 830 CG GLU A 59 15.577 -1.513 -15.243 1.00 0.00 C ATOM 831 CD GLU A 59 15.059 -2.473 -16.296 1.00 0.00 C ATOM 832 OE1 GLU A 59 14.741 -3.628 -15.943 1.00 0.00 O ATOM 833 OE2 GLU A 59 14.972 -2.069 -17.475 1.00 0.00 O ATOM 0 H GLU A 59 13.719 -0.034 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 59 16.266 -0.679 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.840 -2.559 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.714 -1.393 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.561 -0.499 -15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.617 -1.751 -15.020 1.00 0.00 H new ATOM 840 N ASP A 60 16.124 1.578 -13.680 1.00 0.00 N ATOM 841 CA ASP A 60 16.080 2.939 -14.201 1.00 0.00 C ATOM 842 C ASP A 60 15.724 2.941 -15.685 1.00 0.00 C ATOM 843 O ASP A 60 16.340 2.233 -16.483 1.00 0.00 O ATOM 844 CB ASP A 60 17.424 3.635 -13.985 1.00 0.00 C ATOM 845 CG ASP A 60 17.597 4.850 -14.875 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.617 4.681 -16.112 1.00 0.00 O ATOM 847 OD2 ASP A 60 17.713 5.970 -14.335 1.00 0.00 O ATOM 0 H ASP A 60 17.064 1.224 -13.504 1.00 0.00 H new ATOM 0 HA ASP A 60 15.307 3.484 -13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.509 3.938 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.231 2.928 -14.179 1.00 0.00 H new ATOM 852 N LEU A 61 14.727 3.740 -16.048 1.00 0.00 N ATOM 853 CA LEU A 61 14.289 3.834 -17.436 1.00 0.00 C ATOM 854 C LEU A 61 14.913 5.044 -18.124 1.00 0.00 C ATOM 855 O LEU A 61 15.676 5.791 -17.513 1.00 0.00 O ATOM 856 CB LEU A 61 12.763 3.924 -17.505 1.00 0.00 C ATOM 857 CG LEU A 61 11.997 2.659 -17.118 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.498 2.900 -17.187 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.395 1.498 -18.018 1.00 0.00 C ATOM 0 H LEU A 61 14.207 4.332 -15.401 1.00 0.00 H new ATOM 0 HA LEU A 61 14.618 2.934 -17.956 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.437 4.735 -16.854 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.481 4.198 -18.521 1.00 0.00 H new ATOM 0 HG LEU A 61 12.255 2.401 -16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.970 1.988 -16.908 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.226 3.701 -16.500 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.221 3.183 -18.203 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.840 0.606 -17.728 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.167 1.746 -19.055 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.464 1.309 -17.917 1.00 0.00 H new ATOM 871 N GLU A 62 14.581 5.231 -19.398 1.00 0.00 N ATOM 872 CA GLU A 62 15.109 6.351 -20.167 1.00 0.00 C ATOM 873 C GLU A 62 14.287 7.614 -19.923 1.00 0.00 C ATOM 874 O GLU A 62 14.805 8.728 -19.996 1.00 0.00 O ATOM 875 CB GLU A 62 15.116 6.015 -21.660 1.00 0.00 C ATOM 876 CG GLU A 62 13.731 5.788 -22.240 1.00 0.00 C ATOM 877 CD GLU A 62 13.249 4.361 -22.060 1.00 0.00 C ATOM 878 OE1 GLU A 62 13.881 3.447 -22.631 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.242 4.159 -21.351 1.00 0.00 O ATOM 0 H GLU A 62 13.950 4.622 -19.918 1.00 0.00 H new ATOM 0 HA GLU A 62 16.132 6.534 -19.838 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.600 6.826 -22.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.718 5.121 -21.820 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.026 6.469 -21.763 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.742 6.033 -23.302 1.00 0.00 H new ATOM 886 N ASP A 63 13.003 7.430 -19.635 1.00 0.00 N ATOM 887 CA ASP A 63 12.109 8.553 -19.379 1.00 0.00 C ATOM 888 C ASP A 63 12.448 9.228 -18.054 1.00 0.00 C ATOM 889 O ASP A 63 12.098 10.385 -17.828 1.00 0.00 O ATOM 890 CB ASP A 63 10.654 8.081 -19.368 1.00 0.00 C ATOM 891 CG ASP A 63 9.690 9.165 -19.810 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.128 10.094 -20.520 1.00 0.00 O ATOM 893 OD2 ASP A 63 8.498 9.084 -19.446 1.00 0.00 O ATOM 0 H ASP A 63 12.558 6.514 -19.573 1.00 0.00 H new ATOM 0 HA ASP A 63 12.241 9.280 -20.180 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.550 7.217 -20.024 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.390 7.751 -18.363 1.00 0.00 H new ATOM 898 N GLY A 64 13.133 8.495 -17.181 1.00 0.00 N ATOM 899 CA GLY A 64 13.507 9.040 -15.889 1.00 0.00 C ATOM 900 C GLY A 64 12.558 8.617 -14.785 1.00 0.00 C ATOM 901 O GLY A 64 12.294 9.381 -13.855 1.00 0.00 O ATOM 0 H GLY A 64 13.435 7.535 -17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.517 8.715 -15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.528 10.128 -15.949 1.00 0.00 H new ATOM 905 N THR A 65 12.041 7.396 -14.886 1.00 0.00 N ATOM 906 CA THR A 65 11.114 6.874 -13.890 1.00 0.00 C ATOM 907 C THR A 65 11.604 5.546 -13.325 1.00 0.00 C ATOM 908 O THR A 65 12.525 4.933 -13.866 1.00 0.00 O ATOM 909 CB THR A 65 9.705 6.678 -14.482 1.00 0.00 C ATOM 910 OG1 THR A 65 9.781 5.890 -15.675 1.00 0.00 O ATOM 911 CG2 THR A 65 9.058 8.019 -14.795 1.00 0.00 C ATOM 0 H THR A 65 12.249 6.750 -15.648 1.00 0.00 H new ATOM 0 HA THR A 65 11.064 7.611 -13.088 1.00 0.00 H new ATOM 0 HB THR A 65 9.093 6.161 -13.743 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.913 5.901 -16.130 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.064 7.855 -15.212 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.975 8.606 -13.880 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.670 8.558 -15.518 1.00 0.00 H new ATOM 919 N CYS A 66 10.985 5.108 -12.234 1.00 0.00 N ATOM 920 CA CYS A 66 11.359 3.852 -11.595 1.00 0.00 C ATOM 921 C CYS A 66 10.253 2.813 -11.749 1.00 0.00 C ATOM 922 O CYS A 66 9.211 2.898 -11.099 1.00 0.00 O ATOM 923 CB CYS A 66 11.659 4.079 -10.113 1.00 0.00 C ATOM 924 SG CYS A 66 12.238 2.604 -9.242 1.00 0.00 S ATOM 0 H CYS A 66 10.222 5.604 -11.774 1.00 0.00 H new ATOM 0 HA CYS A 66 12.257 3.476 -12.086 1.00 0.00 H new ATOM 0 HB2 CYS A 66 12.413 4.861 -10.022 1.00 0.00 H new ATOM 0 HB3 CYS A 66 10.757 4.447 -9.623 1.00 0.00 H new ATOM 0 HG CYS A 66 12.467 2.897 -7.996 1.00 0.00 H new ATOM 930 N LYS A 67 10.486 1.832 -12.615 1.00 0.00 N ATOM 931 CA LYS A 67 9.511 0.775 -12.856 1.00 0.00 C ATOM 932 C LYS A 67 9.666 -0.351 -11.839 1.00 0.00 C ATOM 933 O LYS A 67 10.445 -1.282 -12.043 1.00 0.00 O ATOM 934 CB LYS A 67 9.668 0.222 -14.274 1.00 0.00 C ATOM 935 CG LYS A 67 8.828 -1.015 -14.540 1.00 0.00 C ATOM 936 CD LYS A 67 9.344 -1.792 -15.740 1.00 0.00 C ATOM 937 CE LYS A 67 8.693 -1.320 -17.031 1.00 0.00 C ATOM 938 NZ LYS A 67 9.405 -1.837 -18.232 1.00 0.00 N ATOM 0 H LYS A 67 11.343 1.747 -13.162 1.00 0.00 H new ATOM 0 HA LYS A 67 8.514 1.203 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.395 0.997 -14.990 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.717 -0.017 -14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.835 -1.657 -13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.792 -0.722 -14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.425 -1.675 -15.813 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.147 -2.855 -15.599 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.654 -1.649 -17.055 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.683 -0.230 -17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.931 -1.493 -19.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.390 -1.503 -18.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.392 -2.877 -18.222 1.00 0.00 H new ATOM 952 N VAL A 68 8.919 -0.260 -10.743 1.00 0.00 N ATOM 953 CA VAL A 68 8.972 -1.273 -9.696 1.00 0.00 C ATOM 954 C VAL A 68 8.270 -2.554 -10.134 1.00 0.00 C ATOM 955 O VAL A 68 7.219 -2.510 -10.773 1.00 0.00 O ATOM 956 CB VAL A 68 8.326 -0.767 -8.392 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.485 -1.795 -7.283 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.929 0.569 -7.983 1.00 0.00 C ATOM 0 H VAL A 68 8.270 0.505 -10.557 1.00 0.00 H new ATOM 0 HA VAL A 68 10.026 -1.484 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 68 7.260 -0.620 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.023 -1.420 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.002 -2.726 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.545 -1.977 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.461 0.912 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.001 0.451 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.757 1.302 -8.771 1.00 0.00 H new ATOM 968 N SER A 69 8.858 -3.693 -9.784 1.00 0.00 N ATOM 969 CA SER A 69 8.291 -4.988 -10.144 1.00 0.00 C ATOM 970 C SER A 69 8.305 -5.937 -8.950 1.00 0.00 C ATOM 971 O SER A 69 9.334 -6.120 -8.300 1.00 0.00 O ATOM 972 CB SER A 69 9.070 -5.603 -11.308 1.00 0.00 C ATOM 973 OG SER A 69 9.330 -4.639 -12.314 1.00 0.00 O ATOM 0 H SER A 69 9.726 -3.746 -9.252 1.00 0.00 H new ATOM 0 HA SER A 69 7.257 -4.832 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.011 -6.015 -10.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.503 -6.432 -11.732 1.00 0.00 H new ATOM 0 HG SER A 69 9.830 -5.057 -13.046 1.00 0.00 H new ATOM 979 N TYR A 70 7.154 -6.539 -8.668 1.00 0.00 N ATOM 980 CA TYR A 70 7.032 -7.468 -7.551 1.00 0.00 C ATOM 981 C TYR A 70 6.159 -8.661 -7.929 1.00 0.00 C ATOM 982 O TYR A 70 5.166 -8.518 -8.642 1.00 0.00 O ATOM 983 CB TYR A 70 6.443 -6.757 -6.332 1.00 0.00 C ATOM 984 CG TYR A 70 4.945 -6.563 -6.408 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.075 -7.622 -6.180 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.401 -5.320 -6.706 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.706 -7.449 -6.250 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.033 -5.138 -6.777 1.00 0.00 C ATOM 989 CZ TYR A 70 2.190 -6.206 -6.548 1.00 0.00 C ATOM 990 OH TYR A 70 0.827 -6.029 -6.617 1.00 0.00 O ATOM 0 H TYR A 70 6.293 -6.400 -9.197 1.00 0.00 H new ATOM 0 HA TYR A 70 8.029 -7.833 -7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.681 -7.331 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.922 -5.784 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.476 -8.597 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.058 -4.482 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.044 -8.283 -6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.626 -4.165 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 70 0.629 -5.094 -6.836 1.00 0.00 H new ATOM 1000 N PHE A 71 6.537 -9.840 -7.444 1.00 0.00 N ATOM 1001 CA PHE A 71 5.790 -11.059 -7.729 1.00 0.00 C ATOM 1002 C PHE A 71 5.180 -11.634 -6.455 1.00 0.00 C ATOM 1003 O PHE A 71 5.853 -12.274 -5.648 1.00 0.00 O ATOM 1004 CB PHE A 71 6.701 -12.098 -8.386 1.00 0.00 C ATOM 1005 CG PHE A 71 5.959 -13.113 -9.208 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.496 -12.793 -10.474 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.725 -14.386 -8.715 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.812 -13.724 -11.232 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.041 -15.322 -9.468 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.585 -14.991 -10.729 1.00 0.00 C ATOM 0 H PHE A 71 7.356 -9.976 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 71 4.982 -10.808 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.423 -11.586 -9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.268 -12.614 -7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.672 -11.805 -10.873 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.081 -14.651 -7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.455 -13.462 -12.217 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.863 -16.311 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.052 -15.721 -11.321 1.00 0.00 H new ATOM 1020 N PRO A 72 3.872 -11.400 -6.268 1.00 0.00 N ATOM 1021 CA PRO A 72 3.141 -11.886 -5.094 1.00 0.00 C ATOM 1022 C PRO A 72 2.969 -13.401 -5.104 1.00 0.00 C ATOM 1023 O PRO A 72 3.074 -14.042 -6.150 1.00 0.00 O ATOM 1024 CB PRO A 72 1.781 -11.193 -5.211 1.00 0.00 C ATOM 1025 CG PRO A 72 1.623 -10.913 -6.666 1.00 0.00 C ATOM 1026 CD PRO A 72 3.007 -10.645 -7.189 1.00 0.00 C ATOM 0 HA PRO A 72 3.669 -11.666 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.978 -11.831 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.753 -10.274 -4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.169 -11.761 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.971 -10.055 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.121 -10.986 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.241 -9.581 -7.179 1.00 0.00 H new ATOM 1034 N THR A 73 2.703 -13.970 -3.932 1.00 0.00 N ATOM 1035 CA THR A 73 2.517 -15.410 -3.806 1.00 0.00 C ATOM 1036 C THR A 73 1.248 -15.734 -3.026 1.00 0.00 C ATOM 1037 O THR A 73 0.495 -16.636 -3.393 1.00 0.00 O ATOM 1038 CB THR A 73 3.719 -16.072 -3.106 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.021 -15.380 -1.890 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.941 -16.071 -4.013 1.00 0.00 C ATOM 0 H THR A 73 2.612 -13.455 -3.056 1.00 0.00 H new ATOM 0 HA THR A 73 2.430 -15.807 -4.817 1.00 0.00 H new ATOM 0 HB THR A 73 3.455 -17.105 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.078 -16.023 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.777 -16.543 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.718 -16.624 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.205 -15.044 -4.267 1.00 0.00 H new ATOM 1048 N VAL A 74 1.016 -14.992 -1.948 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.164 -15.200 -1.117 1.00 0.00 C ATOM 1050 C VAL A 74 -1.143 -14.039 -1.252 1.00 0.00 C ATOM 1051 O VAL A 74 -0.762 -12.869 -1.245 1.00 0.00 O ATOM 1052 CB VAL A 74 0.216 -15.365 0.367 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.025 -15.601 1.214 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.212 -16.503 0.538 1.00 0.00 C ATOM 0 H VAL A 74 1.629 -14.242 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.640 -16.116 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 74 0.689 -14.444 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.736 -15.715 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.700 -14.751 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.529 -16.506 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.470 -16.606 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.768 -17.432 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.113 -16.287 -0.036 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.437 -14.369 -1.380 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.499 -13.368 -1.519 1.00 0.00 C ATOM 1066 C PRO A 75 -3.725 -12.580 -0.233 1.00 0.00 C ATOM 1067 O PRO A 75 -3.586 -13.114 0.867 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.734 -14.206 -1.856 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.450 -15.550 -1.280 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.963 -15.744 -1.397 1.00 0.00 C ATOM 0 HA PRO A 75 -3.257 -12.619 -2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.636 -13.773 -1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.892 -14.262 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.770 -15.604 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.989 -16.328 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.569 -16.335 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.697 -16.265 -2.317 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.074 -11.305 -0.379 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.314 -10.465 0.780 1.00 0.00 C ATOM 1080 C GLY A 76 -4.133 -8.991 0.474 1.00 0.00 C ATOM 1081 O GLY A 76 -4.427 -8.538 -0.632 1.00 0.00 O ATOM 0 H GLY A 76 -4.195 -10.839 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.327 -10.636 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.633 -10.753 1.581 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.648 -8.239 1.458 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.429 -6.808 1.290 1.00 0.00 C ATOM 1087 C VAL A 77 -1.945 -6.467 1.362 1.00 0.00 C ATOM 1088 O VAL A 77 -1.302 -6.663 2.393 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.184 -5.995 2.358 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.944 -4.505 2.164 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.671 -6.314 2.318 1.00 0.00 C ATOM 0 H VAL A 77 -3.399 -8.598 2.380 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.812 -6.543 0.305 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.802 -6.275 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.485 -3.947 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.878 -4.294 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.297 -4.205 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.189 -5.731 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.070 -6.064 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.821 -7.376 2.511 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.407 -5.956 0.260 1.00 0.00 N ATOM 1102 CA TYR A 78 0.003 -5.589 0.197 1.00 0.00 C ATOM 1103 C TYR A 78 0.184 -4.087 0.391 1.00 0.00 C ATOM 1104 O TYR A 78 -0.274 -3.285 -0.423 1.00 0.00 O ATOM 1105 CB TYR A 78 0.604 -6.018 -1.142 1.00 0.00 C ATOM 1106 CG TYR A 78 0.913 -7.496 -1.222 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.069 -8.413 -1.576 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.187 -7.976 -0.942 1.00 0.00 C ATOM 1109 CE1 TYR A 78 0.209 -9.764 -1.649 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.474 -9.325 -1.014 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.482 -10.215 -1.368 1.00 0.00 C ATOM 1112 OH TYR A 78 1.763 -11.560 -1.440 1.00 0.00 O ATOM 0 H TYR A 78 -1.926 -5.787 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 78 0.523 -6.106 1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.089 -5.757 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.520 -5.454 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.067 -8.064 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.966 -7.282 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.566 -10.464 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.470 -9.681 -0.794 1.00 0.00 H new ATOM 0 HH TYR A 78 0.928 -12.072 -1.393 1.00 0.00 H new ATOM 1122 N ILE A 79 0.856 -3.714 1.475 1.00 0.00 N ATOM 1123 CA ILE A 79 1.100 -2.309 1.776 1.00 0.00 C ATOM 1124 C ILE A 79 2.361 -1.808 1.080 1.00 0.00 C ATOM 1125 O ILE A 79 3.477 -2.094 1.512 1.00 0.00 O ATOM 1126 CB ILE A 79 1.237 -2.073 3.292 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.044 -2.498 4.014 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.550 -0.611 3.575 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.304 -1.953 3.379 1.00 0.00 C ATOM 0 H ILE A 79 1.241 -4.365 2.159 1.00 0.00 H new ATOM 0 HA ILE A 79 0.238 -1.754 1.406 1.00 0.00 H new ATOM 0 HB ILE A 79 2.062 -2.680 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.097 -3.587 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.005 -2.164 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.644 -0.461 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.486 -0.338 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.745 0.015 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.172 -2.294 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.273 -0.863 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.376 -2.308 2.351 1.00 0.00 H new ATOM 1141 N VAL A 80 2.175 -1.057 -0.001 1.00 0.00 N ATOM 1142 CA VAL A 80 3.297 -0.514 -0.757 1.00 0.00 C ATOM 1143 C VAL A 80 3.768 0.810 -0.165 1.00 0.00 C ATOM 1144 O VAL A 80 3.168 1.858 -0.404 1.00 0.00 O ATOM 1145 CB VAL A 80 2.926 -0.299 -2.236 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.070 0.371 -2.982 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.555 -1.622 -2.890 1.00 0.00 C ATOM 0 H VAL A 80 1.258 -0.811 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 80 4.104 -1.244 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 80 2.059 0.359 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.789 0.515 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.284 1.338 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.958 -0.259 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.296 -1.451 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.402 -2.306 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.701 -2.058 -2.371 1.00 0.00 H new ATOM 1157 N SER A 81 4.848 0.755 0.608 1.00 0.00 N ATOM 1158 CA SER A 81 5.399 1.949 1.237 1.00 0.00 C ATOM 1159 C SER A 81 6.250 2.741 0.249 1.00 0.00 C ATOM 1160 O SER A 81 7.422 2.432 0.034 1.00 0.00 O ATOM 1161 CB SER A 81 6.238 1.567 2.458 1.00 0.00 C ATOM 1162 OG SER A 81 5.442 1.519 3.630 1.00 0.00 O ATOM 0 H SER A 81 5.359 -0.104 0.814 1.00 0.00 H new ATOM 0 HA SER A 81 4.568 2.577 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.706 0.596 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.043 2.290 2.591 1.00 0.00 H new ATOM 0 HG SER A 81 6.001 1.271 4.395 1.00 0.00 H new ATOM 1168 N THR A 82 5.650 3.765 -0.351 1.00 0.00 N ATOM 1169 CA THR A 82 6.351 4.601 -1.318 1.00 0.00 C ATOM 1170 C THR A 82 6.793 5.917 -0.688 1.00 0.00 C ATOM 1171 O THR A 82 5.966 6.764 -0.349 1.00 0.00 O ATOM 1172 CB THR A 82 5.468 4.902 -2.543 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.803 3.709 -2.974 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.301 5.465 -3.685 1.00 0.00 C ATOM 0 H THR A 82 4.681 4.035 -0.184 1.00 0.00 H new ATOM 0 HA THR A 82 7.230 4.043 -1.641 1.00 0.00 H new ATOM 0 HB THR A 82 4.726 5.646 -2.254 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.242 3.910 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.656 5.670 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.782 6.389 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.063 4.740 -3.971 1.00 0.00 H new ATOM 1182 N LYS A 83 8.102 6.084 -0.534 1.00 0.00 N ATOM 1183 CA LYS A 83 8.655 7.298 0.054 1.00 0.00 C ATOM 1184 C LYS A 83 9.597 7.995 -0.923 1.00 0.00 C ATOM 1185 O LYS A 83 10.253 7.345 -1.738 1.00 0.00 O ATOM 1186 CB LYS A 83 9.399 6.969 1.350 1.00 0.00 C ATOM 1187 CG LYS A 83 8.497 6.905 2.570 1.00 0.00 C ATOM 1188 CD LYS A 83 9.244 7.288 3.836 1.00 0.00 C ATOM 1189 CE LYS A 83 9.881 6.076 4.496 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.264 5.836 3.998 1.00 0.00 N ATOM 0 H LYS A 83 8.800 5.393 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 83 7.828 7.972 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.908 6.012 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.170 7.721 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.648 7.574 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.095 5.897 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.015 8.021 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.557 7.765 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.904 6.221 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.268 5.195 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.482 4.821 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.337 6.152 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.941 6.367 4.582 1.00 0.00 H new ATOM 1204 N PHE A 84 9.660 9.319 -0.835 1.00 0.00 N ATOM 1205 CA PHE A 84 10.523 10.103 -1.711 1.00 0.00 C ATOM 1206 C PHE A 84 11.109 11.300 -0.968 1.00 0.00 C ATOM 1207 O PHE A 84 10.389 12.224 -0.591 1.00 0.00 O ATOM 1208 CB PHE A 84 9.741 10.583 -2.936 1.00 0.00 C ATOM 1209 CG PHE A 84 10.464 11.627 -3.738 1.00 0.00 C ATOM 1210 CD1 PHE A 84 10.430 12.959 -3.356 1.00 0.00 C ATOM 1211 CD2 PHE A 84 11.178 11.277 -4.872 1.00 0.00 C ATOM 1212 CE1 PHE A 84 11.094 13.922 -4.092 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.844 12.236 -5.612 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.803 13.560 -5.221 1.00 0.00 C ATOM 0 H PHE A 84 9.124 9.872 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 84 11.343 9.464 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.526 9.728 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.782 10.986 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.878 13.247 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.215 10.243 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 84 11.059 14.957 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 84 12.396 11.950 -6.495 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.324 14.311 -5.797 1.00 0.00 H new ATOM 1224 N ALA A 85 12.421 11.275 -0.760 1.00 0.00 N ATOM 1225 CA ALA A 85 13.105 12.357 -0.063 1.00 0.00 C ATOM 1226 C ALA A 85 12.648 12.451 1.389 1.00 0.00 C ATOM 1227 O ALA A 85 12.382 13.541 1.896 1.00 0.00 O ATOM 1228 CB ALA A 85 12.869 13.679 -0.779 1.00 0.00 C ATOM 0 H ALA A 85 13.032 10.517 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 85 14.173 12.140 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.386 14.478 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.252 13.614 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.800 13.893 -0.806 1.00 0.00 H new ATOM 1234 N ASP A 86 12.558 11.303 2.051 1.00 0.00 N ATOM 1235 CA ASP A 86 12.133 11.256 3.445 1.00 0.00 C ATOM 1236 C ASP A 86 10.711 11.788 3.598 1.00 0.00 C ATOM 1237 O ASP A 86 10.402 12.491 4.559 1.00 0.00 O ATOM 1238 CB ASP A 86 13.091 12.067 4.320 1.00 0.00 C ATOM 1239 CG ASP A 86 14.346 11.294 4.674 1.00 0.00 C ATOM 1240 OD1 ASP A 86 14.227 10.235 5.327 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.447 11.747 4.298 1.00 0.00 O ATOM 0 H ASP A 86 12.774 10.393 1.645 1.00 0.00 H new ATOM 0 HA ASP A 86 12.149 10.215 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.367 12.983 3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.580 12.363 5.236 1.00 0.00 H new ATOM 1246 N GLU A 87 9.852 11.447 2.643 1.00 0.00 N ATOM 1247 CA GLU A 87 8.464 11.893 2.672 1.00 0.00 C ATOM 1248 C GLU A 87 7.571 10.942 1.879 1.00 0.00 C ATOM 1249 O GLU A 87 7.771 10.739 0.681 1.00 0.00 O ATOM 1250 CB GLU A 87 8.347 13.310 2.106 1.00 0.00 C ATOM 1251 CG GLU A 87 8.631 14.398 3.128 1.00 0.00 C ATOM 1252 CD GLU A 87 8.212 15.773 2.647 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.331 15.851 1.765 1.00 0.00 O ATOM 1254 OE2 GLU A 87 8.766 16.772 3.152 1.00 0.00 O ATOM 0 H GLU A 87 10.092 10.864 1.841 1.00 0.00 H new ATOM 0 HA GLU A 87 8.132 11.896 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.040 13.417 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.343 13.451 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.107 14.166 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.697 14.407 3.358 1.00 0.00 H new ATOM 1261 N HIS A 88 6.585 10.362 2.556 1.00 0.00 N ATOM 1262 CA HIS A 88 5.661 9.432 1.916 1.00 0.00 C ATOM 1263 C HIS A 88 4.817 10.144 0.863 1.00 0.00 C ATOM 1264 O HIS A 88 4.243 11.202 1.124 1.00 0.00 O ATOM 1265 CB HIS A 88 4.754 8.782 2.960 1.00 0.00 C ATOM 1266 CG HIS A 88 5.293 7.495 3.504 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.934 6.259 3.009 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.171 7.256 4.506 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.567 5.316 3.683 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.324 5.894 4.598 1.00 0.00 N ATOM 0 H HIS A 88 6.405 10.520 3.548 1.00 0.00 H new ATOM 0 HA HIS A 88 6.247 8.657 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.603 9.480 3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.776 8.598 2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.660 7.998 5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.480 4.253 3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.924 5.408 5.264 1.00 0.00 H new ATOM 1279 N VAL A 89 4.746 9.558 -0.327 1.00 0.00 N ATOM 1280 CA VAL A 89 3.972 10.136 -1.419 1.00 0.00 C ATOM 1281 C VAL A 89 2.612 10.623 -0.931 1.00 0.00 C ATOM 1282 O VAL A 89 2.085 10.159 0.080 1.00 0.00 O ATOM 1283 CB VAL A 89 3.762 9.119 -2.558 1.00 0.00 C ATOM 1284 CG1 VAL A 89 5.031 8.972 -3.383 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.321 7.776 -1.997 1.00 0.00 C ATOM 0 H VAL A 89 5.215 8.683 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 89 4.544 10.983 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 89 2.973 9.490 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.864 8.250 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.298 9.936 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.842 8.624 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.177 7.070 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.086 7.396 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.384 7.898 -1.454 1.00 0.00 H new ATOM 1295 N PRO A 90 2.030 11.583 -1.665 1.00 0.00 N ATOM 1296 CA PRO A 90 0.723 12.155 -1.326 1.00 0.00 C ATOM 1297 C PRO A 90 -0.416 11.164 -1.540 1.00 0.00 C ATOM 1298 O PRO A 90 -1.014 11.112 -2.614 1.00 0.00 O ATOM 1299 CB PRO A 90 0.592 13.336 -2.291 1.00 0.00 C ATOM 1300 CG PRO A 90 1.457 12.976 -3.450 1.00 0.00 C ATOM 1301 CD PRO A 90 2.601 12.184 -2.882 1.00 0.00 C ATOM 0 HA PRO A 90 0.661 12.437 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.443 13.482 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.920 14.266 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.903 12.390 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.816 13.869 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.949 11.423 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.456 12.821 -2.653 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.712 10.378 -0.508 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.779 9.399 -0.604 1.00 0.00 C ATOM 1311 C GLY A 91 -1.355 8.029 -0.113 1.00 0.00 C ATOM 1312 O GLY A 91 -2.065 7.044 -0.313 1.00 0.00 O ATOM 0 H GLY A 91 -0.232 10.402 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.635 9.741 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.107 9.324 -1.641 1.00 0.00 H new ATOM 1316 N SER A 92 -0.193 7.966 0.529 1.00 0.00 N ATOM 1317 CA SER A 92 0.328 6.705 1.044 1.00 0.00 C ATOM 1318 C SER A 92 -0.127 6.477 2.482 1.00 0.00 C ATOM 1319 O SER A 92 -0.553 7.398 3.179 1.00 0.00 O ATOM 1320 CB SER A 92 1.856 6.693 0.972 1.00 0.00 C ATOM 1321 OG SER A 92 2.305 6.090 -0.229 1.00 0.00 O ATOM 0 H SER A 92 0.405 8.773 0.705 1.00 0.00 H new ATOM 0 HA SER A 92 -0.064 5.898 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.234 7.713 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.259 6.151 1.828 1.00 0.00 H new ATOM 0 HG SER A 92 1.554 6.004 -0.853 1.00 0.00 H new ATOM 1327 N PRO A 93 -0.034 5.219 2.939 1.00 0.00 N ATOM 1328 CA PRO A 93 0.471 4.115 2.118 1.00 0.00 C ATOM 1329 C PRO A 93 -0.489 3.740 0.995 1.00 0.00 C ATOM 1330 O PRO A 93 -1.549 4.348 0.843 1.00 0.00 O ATOM 1331 CB PRO A 93 0.602 2.962 3.117 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.381 3.279 4.191 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.417 4.778 4.291 1.00 0.00 C ATOM 0 HA PRO A 93 1.405 4.373 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.380 2.004 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.615 2.895 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.366 2.880 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.081 2.832 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.408 5.139 4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.277 5.147 5.046 1.00 0.00 H new ATOM 1341 N PHE A 94 -0.112 2.736 0.210 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.940 2.281 -0.900 1.00 0.00 C ATOM 1343 C PHE A 94 -1.499 0.888 -0.627 1.00 0.00 C ATOM 1344 O PHE A 94 -0.751 -0.084 -0.520 1.00 0.00 O ATOM 1345 CB PHE A 94 -0.130 2.272 -2.198 1.00 0.00 C ATOM 1346 CG PHE A 94 -0.029 3.621 -2.852 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.280 4.746 -2.104 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.243 3.763 -4.213 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.375 5.988 -2.702 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.150 5.003 -4.817 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.158 6.117 -4.060 1.00 0.00 C ATOM 0 H PHE A 94 0.762 2.222 0.322 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.775 2.974 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.874 1.903 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.587 1.572 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.448 4.651 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.485 2.895 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.619 6.857 -2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.318 5.101 -5.879 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.229 7.087 -4.529 1.00 0.00 H new ATOM 1361 N THR A 95 -2.821 0.799 -0.514 1.00 0.00 N ATOM 1362 CA THR A 95 -3.481 -0.473 -0.251 1.00 0.00 C ATOM 1363 C THR A 95 -3.831 -1.190 -1.550 1.00 0.00 C ATOM 1364 O THR A 95 -4.699 -0.746 -2.302 1.00 0.00 O ATOM 1365 CB THR A 95 -4.766 -0.279 0.577 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.507 0.588 1.687 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.292 -1.614 1.082 1.00 0.00 C ATOM 0 H THR A 95 -3.455 1.593 -0.601 1.00 0.00 H new ATOM 0 HA THR A 95 -2.779 -1.081 0.319 1.00 0.00 H new ATOM 0 HB THR A 95 -5.522 0.171 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.329 0.708 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.199 -1.451 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.516 -2.261 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.538 -2.088 1.711 1.00 0.00 H new ATOM 1375 N VAL A 96 -3.151 -2.303 -1.808 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.391 -3.082 -3.016 1.00 0.00 C ATOM 1377 C VAL A 96 -4.055 -4.415 -2.687 1.00 0.00 C ATOM 1378 O VAL A 96 -3.461 -5.272 -2.032 1.00 0.00 O ATOM 1379 CB VAL A 96 -2.081 -3.349 -3.782 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.326 -4.302 -4.942 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.477 -2.042 -4.273 1.00 0.00 C ATOM 0 H VAL A 96 -2.430 -2.685 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.057 -2.492 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.371 -3.819 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.390 -4.479 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.712 -5.248 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.052 -3.863 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.552 -2.248 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.181 -1.543 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.264 -1.397 -3.421 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.290 -4.583 -3.146 1.00 0.00 N ATOM 1392 CA LYS A 97 -6.036 -5.812 -2.903 1.00 0.00 C ATOM 1393 C LYS A 97 -5.658 -6.888 -3.916 1.00 0.00 C ATOM 1394 O LYS A 97 -5.932 -6.753 -5.109 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.541 -5.541 -2.968 1.00 0.00 C ATOM 1396 CG LYS A 97 -8.137 -5.098 -1.644 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.643 -5.302 -1.614 1.00 0.00 C ATOM 1398 CE LYS A 97 -10.302 -4.436 -0.551 1.00 0.00 C ATOM 1399 NZ LYS A 97 -11.611 -4.995 -0.113 1.00 0.00 N ATOM 0 H LYS A 97 -5.796 -3.883 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.780 -6.171 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.731 -4.773 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.050 -6.445 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.677 -5.659 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.908 -4.046 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.063 -5.063 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.865 -6.351 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.638 -4.349 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.450 -3.430 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.028 -4.376 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.253 -5.055 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.467 -5.945 0.284 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.030 -7.954 -3.433 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.617 -9.054 -4.297 1.00 0.00 C ATOM 1415 C ILE A 98 -5.636 -10.188 -4.267 1.00 0.00 C ATOM 1416 O ILE A 98 -5.999 -10.682 -3.200 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.239 -9.605 -3.888 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.180 -8.504 -3.973 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.857 -10.784 -4.770 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.012 -7.932 -5.363 1.00 0.00 C ATOM 0 H ILE A 98 -4.796 -8.080 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.552 -8.654 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.294 -9.951 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.448 -7.700 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.224 -8.904 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.880 -11.163 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.601 -11.574 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.816 -10.462 -5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.245 -7.157 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.713 -8.725 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.956 -7.501 -5.696 1.00 0.00 H new ATOM 1432 N SER A 99 -6.091 -10.599 -5.447 1.00 0.00 N ATOM 1433 CA SER A 99 -7.069 -11.675 -5.556 1.00 0.00 C ATOM 1434 C SER A 99 -6.378 -13.017 -5.771 1.00 0.00 C ATOM 1435 O SER A 99 -5.527 -13.157 -6.649 1.00 0.00 O ATOM 1436 CB SER A 99 -8.038 -11.397 -6.707 1.00 0.00 C ATOM 1437 OG SER A 99 -8.630 -10.116 -6.578 1.00 0.00 O ATOM 0 H SER A 99 -5.798 -10.203 -6.340 1.00 0.00 H new ATOM 0 HA SER A 99 -7.629 -11.720 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.507 -11.462 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.816 -12.160 -6.724 1.00 0.00 H new ATOM 0 HG SER A 99 -9.243 -9.962 -7.327 1.00 0.00 H new