USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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: T 29 HIS : no HD1:sc= -1.45 K(o=-5,f=-6.4!) USER MOD Set 1.2: T 94 ASN : amide:sc= -3.59! C(o=-5!,f=-8.7!) USER MOD Set 2.1: T 45 HIS : no HE2:sc= -7.22! C(o=-5.9!,f=-14!) USER MOD Set 2.2: T 47 CYS SG : rot -58:sc= 1.32 USER MOD Single : T 3 TYR OH : rot 30:sc= 0 USER MOD Single : T 4 HIS : no HE2:sc= -5! C(o=-5!,f=-5.1!) USER MOD Single : T 9 SER OG : rot 180:sc= -0.0478 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 101:sc= -3.01! USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 136:sc= 0.0882 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 32 THR OG1 : rot 170:sc= -1.61! USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= -0.0174 K(o=-0.017,f=-2.3) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 52 MET CE :methyl -118:sc= -0.0267 (180deg=-0.102) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 145:sc= 0.203 USER MOD Single : T 73 THR OG1 : rot -19:sc= 0.632 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.081) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 150:sc= -3.3! USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.316 2.247 7.205 1.00 0.00 N ATOM 11 CA VAL T 2 -7.436 2.110 6.051 1.00 0.00 C ATOM 12 C VAL T 2 -7.911 1.003 5.115 1.00 0.00 C ATOM 13 O VAL T 2 -8.393 -0.038 5.561 1.00 0.00 O ATOM 14 CB VAL T 2 -5.989 1.810 6.489 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.969 0.753 7.582 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.146 1.378 5.302 1.00 0.00 C ATOM 0 HA VAL T 2 -7.463 3.061 5.519 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.557 2.725 6.894 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.939 0.555 7.878 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.532 1.111 8.444 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.422 -0.165 7.208 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.129 1.171 5.634 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.573 0.478 4.861 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.130 2.174 4.558 1.00 0.00 H new ATOM 26 N TYR T 3 -7.763 1.234 3.814 1.00 0.00 N ATOM 27 CA TYR T 3 -8.169 0.256 2.811 1.00 0.00 C ATOM 28 C TYR T 3 -7.216 0.272 1.620 1.00 0.00 C ATOM 29 O TYR T 3 -6.251 1.036 1.593 1.00 0.00 O ATOM 30 CB TYR T 3 -9.599 0.528 2.341 1.00 0.00 C ATOM 31 CG TYR T 3 -9.809 1.918 1.783 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.887 3.022 2.624 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.930 2.126 0.415 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.081 4.292 2.117 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.124 3.394 -0.099 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.199 4.473 0.755 1.00 0.00 C ATOM 37 OH TYR T 3 -10.393 5.737 0.247 1.00 0.00 O ATOM 0 H TYR T 3 -7.365 2.091 3.430 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.132 -0.731 3.271 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.865 -0.203 1.577 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.281 0.377 3.178 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.794 2.884 3.691 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.872 1.283 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.140 5.139 2.784 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.216 3.539 -1.165 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.969 6.395 0.836 1.00 0.00 H new ATOM 47 N HIS T 4 -7.492 -0.582 0.641 1.00 0.00 N ATOM 48 CA HIS T 4 -6.657 -0.674 -0.551 1.00 0.00 C ATOM 49 C HIS T 4 -7.183 0.227 -1.663 1.00 0.00 C ATOM 50 O HIS T 4 -8.371 0.544 -1.710 1.00 0.00 O ATOM 51 CB HIS T 4 -6.592 -2.121 -1.041 1.00 0.00 C ATOM 52 CG HIS T 4 -5.822 -2.289 -2.313 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.366 -2.839 -3.455 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.542 -1.975 -2.623 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.454 -2.857 -4.411 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.339 -2.337 -3.932 1.00 0.00 N ATOM 0 H HIS T 4 -8.287 -1.221 0.649 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.654 -0.339 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -6.137 -2.738 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.606 -2.492 -1.189 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.323 -3.179 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.816 -1.524 -1.963 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.596 -3.233 -5.413 1.00 0.00 H new ATOM 65 N ARG T 5 -6.287 0.634 -2.557 1.00 0.00 N ATOM 66 CA ARG T 5 -6.656 1.496 -3.672 1.00 0.00 C ATOM 67 C ARG T 5 -5.805 1.193 -4.902 1.00 0.00 C ATOM 68 O ARG T 5 -4.641 0.810 -4.784 1.00 0.00 O ATOM 69 CB ARG T 5 -6.495 2.964 -3.279 1.00 0.00 C ATOM 70 CG ARG T 5 -7.152 3.933 -4.248 1.00 0.00 C ATOM 71 CD ARG T 5 -8.665 3.933 -4.097 1.00 0.00 C ATOM 72 NE ARG T 5 -9.133 5.037 -3.265 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.096 5.876 -3.630 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.688 5.737 -4.808 1.00 0.00 N ATOM 75 NH2 ARG T 5 -10.469 6.856 -2.817 1.00 0.00 N ATOM 0 H ARG T 5 -5.300 0.380 -2.530 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.700 1.302 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.919 3.114 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.433 3.198 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -6.768 4.938 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -6.887 3.662 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.127 4.000 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -8.985 2.988 -3.658 1.00 0.00 H new ATOM 0 HE ARG T 5 -8.697 5.172 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.404 4.985 -5.436 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.427 6.382 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.016 6.966 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.209 7.499 -3.099 1.00 0.00 H new ATOM 89 N GLU T 6 -6.394 1.367 -6.081 1.00 0.00 N ATOM 90 CA GLU T 6 -5.691 1.114 -7.333 1.00 0.00 C ATOM 91 C GLU T 6 -5.630 2.377 -8.184 1.00 0.00 C ATOM 92 O GLU T 6 -6.236 3.395 -7.848 1.00 0.00 O ATOM 93 CB GLU T 6 -6.379 -0.013 -8.110 1.00 0.00 C ATOM 94 CG GLU T 6 -5.868 -0.183 -9.532 1.00 0.00 C ATOM 95 CD GLU T 6 -6.587 -1.289 -10.278 1.00 0.00 C ATOM 96 OE1 GLU T 6 -6.274 -2.472 -10.031 1.00 0.00 O ATOM 97 OE2 GLU T 6 -7.463 -0.972 -11.110 1.00 0.00 O ATOM 0 H GLU T 6 -7.357 1.682 -6.195 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.672 0.809 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -6.241 -0.950 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.451 0.182 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.990 0.755 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.800 -0.400 -9.508 1.00 0.00 H new ATOM 104 N ALA T 7 -4.895 2.303 -9.286 1.00 0.00 N ATOM 105 CA ALA T 7 -4.752 3.439 -10.188 1.00 0.00 C ATOM 106 C ALA T 7 -6.013 3.639 -11.021 1.00 0.00 C ATOM 107 O ALA T 7 -6.897 2.783 -11.043 1.00 0.00 O ATOM 108 CB ALA T 7 -3.545 3.246 -11.094 1.00 0.00 C ATOM 0 H ALA T 7 -4.388 1.467 -9.577 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.600 4.334 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.451 4.102 -11.762 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.644 3.159 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.674 2.338 -11.684 1.00 0.00 H new ATOM 114 N ARG T 8 -6.091 4.776 -11.703 1.00 0.00 N ATOM 115 CA ARG T 8 -7.243 5.089 -12.538 1.00 0.00 C ATOM 116 C ARG T 8 -7.292 4.182 -13.762 1.00 0.00 C ATOM 117 O ARG T 8 -8.347 3.996 -14.368 1.00 0.00 O ATOM 118 CB ARG T 8 -7.197 6.554 -12.978 1.00 0.00 C ATOM 119 CG ARG T 8 -8.017 7.483 -12.098 1.00 0.00 C ATOM 120 CD ARG T 8 -7.145 8.231 -11.103 1.00 0.00 C ATOM 121 NE ARG T 8 -7.821 8.427 -9.824 1.00 0.00 N ATOM 122 CZ ARG T 8 -8.477 9.536 -9.501 1.00 0.00 C ATOM 123 NH1 ARG T 8 -8.545 10.545 -10.359 1.00 0.00 N ATOM 124 NH2 ARG T 8 -9.067 9.638 -8.318 1.00 0.00 N ATOM 0 H ARG T 8 -5.369 5.497 -11.694 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.143 4.921 -11.947 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.160 6.891 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.558 6.627 -14.004 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.551 8.198 -12.723 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.769 6.905 -11.560 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -6.220 7.677 -10.943 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -6.869 9.200 -11.519 1.00 0.00 H new ATOM 0 HE ARG T 8 -7.788 7.671 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -8.093 10.471 -11.270 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -9.050 11.395 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -9.017 8.864 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -9.570 10.490 -8.071 1.00 0.00 H new ATOM 138 N SER T 9 -6.143 3.620 -14.121 1.00 0.00 N ATOM 139 CA SER T 9 -6.054 2.733 -15.275 1.00 0.00 C ATOM 140 C SER T 9 -6.043 1.272 -14.840 1.00 0.00 C ATOM 141 O SER T 9 -6.776 0.446 -15.384 1.00 0.00 O ATOM 142 CB SER T 9 -4.798 3.046 -16.089 1.00 0.00 C ATOM 143 OG SER T 9 -3.915 3.884 -15.364 1.00 0.00 O ATOM 0 H SER T 9 -5.261 3.763 -13.630 1.00 0.00 H new ATOM 0 HA SER T 9 -6.933 2.899 -15.898 1.00 0.00 H new ATOM 0 HB2 SER T 9 -4.290 2.118 -16.351 1.00 0.00 H new ATOM 0 HB3 SER T 9 -5.079 3.531 -17.024 1.00 0.00 H new ATOM 0 HG SER T 9 -3.119 4.068 -15.906 1.00 0.00 H new ATOM 149 N GLY T 10 -5.205 0.961 -13.859 1.00 0.00 N ATOM 150 CA GLY T 10 -5.110 -0.397 -13.369 1.00 0.00 C ATOM 151 C GLY T 10 -4.048 -0.556 -12.296 1.00 0.00 C ATOM 152 O GLY T 10 -3.335 0.394 -11.976 1.00 0.00 O ATOM 0 H GLY T 10 -4.589 1.628 -13.394 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -6.076 -0.703 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.884 -1.065 -14.200 1.00 0.00 H new ATOM 156 N LYS T 11 -3.947 -1.760 -11.744 1.00 0.00 N ATOM 157 CA LYS T 11 -2.967 -2.048 -10.701 1.00 0.00 C ATOM 158 C LYS T 11 -1.549 -1.787 -11.200 1.00 0.00 C ATOM 159 O LYS T 11 -1.271 -1.894 -12.395 1.00 0.00 O ATOM 160 CB LYS T 11 -3.102 -3.500 -10.238 1.00 0.00 C ATOM 161 CG LYS T 11 -1.928 -3.980 -9.400 1.00 0.00 C ATOM 162 CD LYS T 11 -2.169 -5.378 -8.853 1.00 0.00 C ATOM 163 CE LYS T 11 -1.341 -6.417 -9.592 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.998 -6.860 -10.852 1.00 0.00 N ATOM 0 H LYS T 11 -4.533 -2.554 -12.001 1.00 0.00 H new ATOM 0 HA LYS T 11 -3.161 -1.385 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -4.019 -3.605 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -3.202 -4.144 -11.112 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -1.022 -3.976 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.762 -3.288 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.922 -5.402 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.227 -5.626 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.359 -6.002 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.179 -7.279 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.401 -7.568 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.924 -7.280 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.129 -6.042 -11.481 1.00 0.00 H new ATOM 178 N TYR T 12 -0.654 -1.442 -10.277 1.00 0.00 N ATOM 179 CA TYR T 12 0.735 -1.164 -10.623 1.00 0.00 C ATOM 180 C TYR T 12 0.820 -0.137 -11.745 1.00 0.00 C ATOM 181 O TYR T 12 1.100 -0.483 -12.893 1.00 0.00 O ATOM 182 CB TYR T 12 1.449 -2.449 -11.050 1.00 0.00 C ATOM 183 CG TYR T 12 1.550 -3.489 -9.957 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.263 -3.173 -8.634 1.00 0.00 C ATOM 185 CD2 TYR T 12 1.932 -4.792 -10.253 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.357 -4.129 -7.637 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.026 -5.751 -9.263 1.00 0.00 C ATOM 188 CZ TYR T 12 1.737 -5.415 -7.958 1.00 0.00 C ATOM 189 OH TYR T 12 1.830 -6.368 -6.972 1.00 0.00 O ATOM 0 H TYR T 12 -0.867 -1.349 -9.284 1.00 0.00 H new ATOM 0 HA TYR T 12 1.225 -0.759 -9.737 1.00 0.00 H new ATOM 0 HB2 TYR T 12 0.921 -2.881 -11.900 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.453 -2.198 -11.392 1.00 0.00 H new ATOM 0 HD1 TYR T 12 0.962 -2.167 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.159 -5.059 -11.274 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.134 -3.869 -6.613 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.324 -6.759 -9.510 1.00 0.00 H new ATOM 0 HH TYR T 12 1.032 -6.937 -6.991 1.00 0.00 H new ATOM 199 N LYS T 13 0.578 1.126 -11.413 1.00 0.00 N ATOM 200 CA LYS T 13 0.631 2.192 -12.404 1.00 0.00 C ATOM 201 C LYS T 13 0.857 3.540 -11.735 1.00 0.00 C ATOM 202 O LYS T 13 1.028 4.556 -12.408 1.00 0.00 O ATOM 203 CB LYS T 13 -0.663 2.225 -13.217 1.00 0.00 C ATOM 204 CG LYS T 13 -0.667 1.264 -14.395 1.00 0.00 C ATOM 205 CD LYS T 13 -1.894 1.459 -15.272 1.00 0.00 C ATOM 206 CE LYS T 13 -2.296 0.167 -15.963 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.677 0.042 -17.312 1.00 0.00 N ATOM 0 H LYS T 13 0.344 1.435 -10.469 1.00 0.00 H new ATOM 0 HA LYS T 13 1.467 1.992 -13.074 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.500 1.986 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.825 3.238 -13.585 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.234 1.413 -14.990 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.640 0.238 -14.028 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -2.723 1.821 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -1.690 2.225 -16.020 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.998 -0.682 -15.347 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -3.381 0.128 -16.057 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.976 -0.853 -17.750 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.981 0.838 -17.908 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.641 0.053 -17.221 1.00 0.00 H new ATOM 221 N LEU T 14 0.851 3.546 -10.406 1.00 0.00 N ATOM 222 CA LEU T 14 1.049 4.770 -9.655 1.00 0.00 C ATOM 223 C LEU T 14 2.340 4.721 -8.849 1.00 0.00 C ATOM 224 O LEU T 14 2.927 3.656 -8.653 1.00 0.00 O ATOM 225 CB LEU T 14 -0.134 5.002 -8.727 1.00 0.00 C ATOM 226 CG LEU T 14 -0.526 3.805 -7.872 1.00 0.00 C ATOM 227 CD1 LEU T 14 -0.227 4.090 -6.409 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.996 3.464 -8.064 1.00 0.00 C ATOM 0 H LEU T 14 0.711 2.715 -9.832 1.00 0.00 H new ATOM 0 HA LEU T 14 1.125 5.595 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU T 14 0.099 5.839 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.994 5.298 -9.327 1.00 0.00 H new ATOM 0 HG LEU T 14 0.063 2.944 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -0.511 3.228 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU T 14 0.839 4.284 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -0.794 4.963 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.254 2.606 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -2.608 4.318 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -2.180 3.223 -9.111 1.00 0.00 H new ATOM 240 N THR T 15 2.771 5.883 -8.381 1.00 0.00 N ATOM 241 CA THR T 15 3.988 5.993 -7.588 1.00 0.00 C ATOM 242 C THR T 15 3.663 6.485 -6.186 1.00 0.00 C ATOM 243 O THR T 15 2.500 6.504 -5.785 1.00 0.00 O ATOM 244 CB THR T 15 4.990 6.963 -8.235 1.00 0.00 C ATOM 245 OG1 THR T 15 4.615 8.316 -7.944 1.00 0.00 O ATOM 246 CG2 THR T 15 5.045 6.763 -9.742 1.00 0.00 C ATOM 0 H THR T 15 2.292 6.770 -8.538 1.00 0.00 H new ATOM 0 HA THR T 15 4.437 5.001 -7.539 1.00 0.00 H new ATOM 0 HB THR T 15 5.978 6.759 -7.822 1.00 0.00 H new ATOM 0 HG1 THR T 15 5.410 8.828 -7.687 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.761 7.461 -10.176 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.355 5.742 -9.962 1.00 0.00 H new ATOM 0 HG23 THR T 15 4.058 6.943 -10.169 1.00 0.00 H new ATOM 254 N TYR T 16 4.684 6.900 -5.448 1.00 0.00 N ATOM 255 CA TYR T 16 4.474 7.407 -4.101 1.00 0.00 C ATOM 256 C TYR T 16 3.690 8.711 -4.158 1.00 0.00 C ATOM 257 O TYR T 16 2.797 8.951 -3.346 1.00 0.00 O ATOM 258 CB TYR T 16 5.807 7.631 -3.389 1.00 0.00 C ATOM 259 CG TYR T 16 5.671 8.368 -2.077 1.00 0.00 C ATOM 260 CD1 TYR T 16 5.111 7.750 -0.965 1.00 0.00 C ATOM 261 CD2 TYR T 16 6.099 9.683 -1.953 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.984 8.423 0.235 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.974 10.363 -0.756 1.00 0.00 C ATOM 264 CZ TYR T 16 5.416 9.729 0.334 1.00 0.00 C ATOM 265 OH TYR T 16 5.291 10.403 1.527 1.00 0.00 O ATOM 0 H TYR T 16 5.656 6.896 -5.756 1.00 0.00 H new ATOM 0 HA TYR T 16 3.906 6.666 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.280 6.666 -3.208 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.471 8.193 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.770 6.728 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.536 10.182 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.549 7.929 1.091 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.312 11.386 -0.675 1.00 0.00 H new ATOM 0 HH TYR T 16 5.644 11.312 1.428 1.00 0.00 H new ATOM 275 N ALA T 17 4.030 9.546 -5.135 1.00 0.00 N ATOM 276 CA ALA T 17 3.358 10.825 -5.317 1.00 0.00 C ATOM 277 C ALA T 17 1.960 10.623 -5.893 1.00 0.00 C ATOM 278 O ALA T 17 1.014 11.305 -5.502 1.00 0.00 O ATOM 279 CB ALA T 17 4.181 11.732 -6.218 1.00 0.00 C ATOM 0 H ALA T 17 4.768 9.358 -5.813 1.00 0.00 H new ATOM 0 HA ALA T 17 3.258 11.303 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.666 12.684 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.157 11.905 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.311 11.258 -7.191 1.00 0.00 H new ATOM 285 N GLU T 18 1.833 9.671 -6.817 1.00 0.00 N ATOM 286 CA GLU T 18 0.549 9.375 -7.430 1.00 0.00 C ATOM 287 C GLU T 18 -0.378 8.736 -6.410 1.00 0.00 C ATOM 288 O GLU T 18 -1.560 9.072 -6.321 1.00 0.00 O ATOM 289 CB GLU T 18 0.744 8.441 -8.622 1.00 0.00 C ATOM 290 CG GLU T 18 1.487 9.085 -9.779 1.00 0.00 C ATOM 291 CD GLU T 18 1.612 8.164 -10.977 1.00 0.00 C ATOM 292 OE1 GLU T 18 2.279 7.116 -10.851 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.041 8.491 -12.038 1.00 0.00 O ATOM 0 H GLU T 18 2.605 9.095 -7.154 1.00 0.00 H new ATOM 0 HA GLU T 18 0.099 10.304 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.292 7.557 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.231 8.101 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.967 9.995 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.482 9.381 -9.447 1.00 0.00 H new ATOM 300 N ALA T 19 0.178 7.817 -5.635 1.00 0.00 N ATOM 301 CA ALA T 19 -0.572 7.121 -4.603 1.00 0.00 C ATOM 302 C ALA T 19 -1.160 8.107 -3.598 1.00 0.00 C ATOM 303 O ALA T 19 -2.298 7.956 -3.153 1.00 0.00 O ATOM 304 CB ALA T 19 0.328 6.122 -3.894 1.00 0.00 C ATOM 0 H ALA T 19 1.156 7.535 -5.704 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.396 6.587 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.241 5.604 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.705 5.397 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA T 19 1.166 6.648 -3.436 1.00 0.00 H new ATOM 310 N LYS T 20 -0.368 9.114 -3.243 1.00 0.00 N ATOM 311 CA LYS T 20 -0.796 10.129 -2.287 1.00 0.00 C ATOM 312 C LYS T 20 -1.845 11.053 -2.896 1.00 0.00 C ATOM 313 O LYS T 20 -2.719 11.561 -2.195 1.00 0.00 O ATOM 314 CB LYS T 20 0.407 10.948 -1.817 1.00 0.00 C ATOM 315 CG LYS T 20 0.165 11.698 -0.517 1.00 0.00 C ATOM 316 CD LYS T 20 0.468 13.181 -0.662 1.00 0.00 C ATOM 317 CE LYS T 20 1.691 13.582 0.147 1.00 0.00 C ATOM 318 NZ LYS T 20 1.364 13.797 1.584 1.00 0.00 N ATOM 0 H LYS T 20 0.576 9.249 -3.604 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.244 9.620 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.261 10.283 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.675 11.663 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.872 11.566 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.789 11.274 0.270 1.00 0.00 H new ATOM 0 HD2 LYS T 20 0.632 13.419 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS T 20 -0.393 13.763 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS T 20 2.453 12.807 0.061 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.117 14.495 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.226 14.069 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 0.656 14.554 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 0.982 12.918 1.988 1.00 0.00 H new ATOM 332 N ALA T 21 -1.754 11.270 -4.204 1.00 0.00 N ATOM 333 CA ALA T 21 -2.696 12.138 -4.900 1.00 0.00 C ATOM 334 C ALA T 21 -4.110 11.575 -4.845 1.00 0.00 C ATOM 335 O ALA T 21 -5.065 12.295 -4.556 1.00 0.00 O ATOM 336 CB ALA T 21 -2.262 12.337 -6.344 1.00 0.00 C ATOM 0 H ALA T 21 -1.038 10.857 -4.802 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.700 13.104 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.974 12.987 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.273 12.795 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.227 11.372 -6.850 1.00 0.00 H new ATOM 342 N VAL T 22 -4.236 10.285 -5.128 1.00 0.00 N ATOM 343 CA VAL T 22 -5.535 9.620 -5.116 1.00 0.00 C ATOM 344 C VAL T 22 -6.124 9.577 -3.712 1.00 0.00 C ATOM 345 O VAL T 22 -7.291 9.910 -3.507 1.00 0.00 O ATOM 346 CB VAL T 22 -5.431 8.183 -5.662 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.524 7.305 -5.073 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.497 8.184 -7.181 1.00 0.00 C ATOM 0 H VAL T 22 -3.454 9.676 -5.369 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.193 10.202 -5.761 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.468 7.770 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.433 6.294 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.424 7.278 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.500 7.713 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.422 7.161 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.444 8.617 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.673 8.775 -7.581 1.00 0.00 H new ATOM 358 N CYS T 23 -5.311 9.165 -2.750 1.00 0.00 N ATOM 359 CA CYS T 23 -5.751 9.077 -1.366 1.00 0.00 C ATOM 360 C CYS T 23 -6.087 10.458 -0.817 1.00 0.00 C ATOM 361 O CYS T 23 -7.166 10.671 -0.264 1.00 0.00 O ATOM 362 CB CYS T 23 -4.668 8.419 -0.511 1.00 0.00 C ATOM 363 SG CYS T 23 -4.548 6.616 -0.732 1.00 0.00 S ATOM 0 H CYS T 23 -4.342 8.886 -2.903 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.652 8.465 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.705 8.870 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.867 8.634 0.539 1.00 0.00 H new ATOM 368 N GLU T 24 -5.159 11.392 -0.979 1.00 0.00 N ATOM 369 CA GLU T 24 -5.358 12.757 -0.505 1.00 0.00 C ATOM 370 C GLU T 24 -6.397 13.477 -1.357 1.00 0.00 C ATOM 371 O GLU T 24 -6.873 14.554 -0.997 1.00 0.00 O ATOM 372 CB GLU T 24 -4.036 13.527 -0.530 1.00 0.00 C ATOM 373 CG GLU T 24 -4.075 14.833 0.247 1.00 0.00 C ATOM 374 CD GLU T 24 -2.693 15.333 0.617 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.044 15.972 -0.238 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.259 15.086 1.762 1.00 0.00 O ATOM 0 H GLU T 24 -4.261 11.230 -1.435 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.722 12.712 0.522 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.249 12.894 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.768 13.738 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.584 15.591 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.662 14.694 1.155 1.00 0.00 H new ATOM 383 N PHE T 25 -6.746 12.871 -2.488 1.00 0.00 N ATOM 384 CA PHE T 25 -7.730 13.449 -3.395 1.00 0.00 C ATOM 385 C PHE T 25 -9.050 13.697 -2.676 1.00 0.00 C ATOM 386 O PHE T 25 -9.615 14.789 -2.749 1.00 0.00 O ATOM 387 CB PHE T 25 -7.954 12.521 -4.592 1.00 0.00 C ATOM 388 CG PHE T 25 -7.974 13.237 -5.912 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.803 13.729 -6.466 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.163 13.416 -6.599 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.818 14.385 -7.681 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.185 14.073 -7.816 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.010 14.558 -8.357 1.00 0.00 C ATOM 0 H PHE T 25 -6.361 11.979 -2.798 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.346 14.405 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.167 11.767 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.898 11.993 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.868 13.598 -5.942 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.084 13.038 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.898 14.763 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.119 14.207 -8.342 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.023 15.072 -9.307 1.00 0.00 H new ATOM 403 N GLU T 26 -9.534 12.675 -1.983 1.00 0.00 N ATOM 404 CA GLU T 26 -10.790 12.772 -1.248 1.00 0.00 C ATOM 405 C GLU T 26 -10.533 12.909 0.248 1.00 0.00 C ATOM 406 O GLU T 26 -11.008 12.105 1.049 1.00 0.00 O ATOM 407 CB GLU T 26 -11.658 11.547 -1.525 1.00 0.00 C ATOM 408 CG GLU T 26 -11.766 11.213 -3.001 1.00 0.00 C ATOM 409 CD GLU T 26 -12.664 10.019 -3.266 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.811 10.018 -2.773 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.218 9.086 -3.966 1.00 0.00 O ATOM 0 H GLU T 26 -9.075 11.767 -1.914 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.318 13.663 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.245 10.689 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.657 11.719 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.152 12.079 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.771 11.010 -3.397 1.00 0.00 H new ATOM 418 N GLY T 27 -9.780 13.939 0.610 1.00 0.00 N ATOM 419 CA GLY T 27 -9.464 14.179 2.005 1.00 0.00 C ATOM 420 C GLY T 27 -8.955 12.932 2.701 1.00 0.00 C ATOM 421 O GLY T 27 -9.278 12.685 3.863 1.00 0.00 O ATOM 0 H GLY T 27 -9.381 14.616 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.712 14.965 2.075 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.353 14.543 2.520 1.00 0.00 H new ATOM 425 N GLY T 28 -8.156 12.144 1.989 1.00 0.00 N ATOM 426 CA GLY T 28 -7.614 10.926 2.560 1.00 0.00 C ATOM 427 C GLY T 28 -6.138 11.066 2.879 1.00 0.00 C ATOM 428 O GLY T 28 -5.537 12.110 2.624 1.00 0.00 O ATOM 0 H GLY T 28 -7.874 12.328 1.026 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.161 10.675 3.469 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.759 10.101 1.863 1.00 0.00 H new ATOM 432 N HIS T 29 -5.553 10.012 3.440 1.00 0.00 N ATOM 433 CA HIS T 29 -4.138 10.024 3.796 1.00 0.00 C ATOM 434 C HIS T 29 -3.508 8.652 3.581 1.00 0.00 C ATOM 435 O HIS T 29 -4.065 7.632 3.985 1.00 0.00 O ATOM 436 CB HIS T 29 -3.955 10.455 5.252 1.00 0.00 C ATOM 437 CG HIS T 29 -5.244 10.756 5.954 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.009 11.869 5.678 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.904 10.080 6.927 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.082 11.867 6.450 1.00 0.00 C ATOM 441 NE2 HIS T 29 -7.042 10.792 7.215 1.00 0.00 N ATOM 0 H HIS T 29 -6.036 9.140 3.658 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.637 10.742 3.146 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.432 9.666 5.793 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.319 11.339 5.283 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.593 9.155 7.389 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.859 12.617 6.454 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.744 10.532 7.908 1.00 0.00 H new ATOM 450 N LEU T 30 -2.342 8.637 2.943 1.00 0.00 N ATOM 451 CA LEU T 30 -1.631 7.397 2.673 1.00 0.00 C ATOM 452 C LEU T 30 -1.551 6.520 3.916 1.00 0.00 C ATOM 453 O LEU T 30 -1.360 7.014 5.027 1.00 0.00 O ATOM 454 CB LEU T 30 -0.221 7.705 2.170 1.00 0.00 C ATOM 455 CG LEU T 30 0.124 7.108 0.809 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.432 7.688 0.290 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.206 5.594 0.905 1.00 0.00 C ATOM 0 H LEU T 30 -1.870 9.475 2.603 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.184 6.853 1.908 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.099 8.787 2.117 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.498 7.339 2.903 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.666 7.366 0.103 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.663 7.252 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.336 8.769 0.189 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.235 7.459 0.991 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.453 5.180 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU T 30 0.978 5.316 1.622 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.754 5.198 1.235 1.00 0.00 H new ATOM 469 N ALA T 31 -1.687 5.213 3.717 1.00 0.00 N ATOM 470 CA ALA T 31 -1.618 4.262 4.819 1.00 0.00 C ATOM 471 C ALA T 31 -0.170 3.873 5.095 1.00 0.00 C ATOM 472 O ALA T 31 0.633 3.754 4.171 1.00 0.00 O ATOM 473 CB ALA T 31 -2.451 3.028 4.507 1.00 0.00 C ATOM 0 H ALA T 31 -1.846 4.789 2.803 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.024 4.736 5.713 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.389 2.327 5.340 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.490 3.320 4.354 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.071 2.552 3.603 1.00 0.00 H new ATOM 479 N THR T 32 0.162 3.685 6.366 1.00 0.00 N ATOM 480 CA THR T 32 1.522 3.321 6.752 1.00 0.00 C ATOM 481 C THR T 32 1.656 1.824 6.983 1.00 0.00 C ATOM 482 O THR T 32 0.742 1.052 6.696 1.00 0.00 O ATOM 483 CB THR T 32 1.957 4.046 8.037 1.00 0.00 C ATOM 484 OG1 THR T 32 1.220 3.542 9.158 1.00 0.00 O ATOM 485 CG2 THR T 32 1.743 5.545 7.912 1.00 0.00 C ATOM 0 H THR T 32 -0.489 3.778 7.146 1.00 0.00 H new ATOM 0 HA THR T 32 2.164 3.623 5.924 1.00 0.00 H new ATOM 0 HB THR T 32 3.020 3.861 8.191 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.610 3.887 9.988 1.00 0.00 H new ATOM 0 HG21 THR T 32 2.058 6.036 8.833 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.330 5.928 7.078 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.687 5.748 7.736 1.00 0.00 H new ATOM 493 N TYR T 33 2.803 1.427 7.522 1.00 0.00 N ATOM 494 CA TYR T 33 3.066 0.025 7.817 1.00 0.00 C ATOM 495 C TYR T 33 2.215 -0.424 8.991 1.00 0.00 C ATOM 496 O TYR T 33 1.276 -1.204 8.835 1.00 0.00 O ATOM 497 CB TYR T 33 4.545 -0.181 8.146 1.00 0.00 C ATOM 498 CG TYR T 33 4.864 -1.530 8.753 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.711 -2.701 8.019 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.318 -1.632 10.063 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.002 -3.933 8.574 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.612 -2.860 10.623 1.00 0.00 C ATOM 503 CZ TYR T 33 5.452 -4.007 9.875 1.00 0.00 C ATOM 504 OH TYR T 33 5.743 -5.232 10.429 1.00 0.00 O ATOM 0 H TYR T 33 3.567 2.058 7.764 1.00 0.00 H new ATOM 0 HA TYR T 33 2.813 -0.569 6.939 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.129 -0.058 7.234 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.864 0.600 8.836 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.359 -2.647 6.999 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.443 -0.736 10.653 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.877 -4.834 7.991 1.00 0.00 H new ATOM 0 HE2 TYR T 33 5.965 -2.921 11.642 1.00 0.00 H new ATOM 0 HH TYR T 33 6.049 -5.109 11.352 1.00 0.00 H new ATOM 514 N LYS T 34 2.552 0.085 10.168 1.00 0.00 N ATOM 515 CA LYS T 34 1.822 -0.245 11.382 1.00 0.00 C ATOM 516 C LYS T 34 0.321 -0.168 11.139 1.00 0.00 C ATOM 517 O LYS T 34 -0.442 -0.993 11.643 1.00 0.00 O ATOM 518 CB LYS T 34 2.221 0.703 12.515 1.00 0.00 C ATOM 519 CG LYS T 34 3.719 0.924 12.643 1.00 0.00 C ATOM 520 CD LYS T 34 4.216 0.591 14.040 1.00 0.00 C ATOM 521 CE LYS T 34 5.723 0.754 14.150 1.00 0.00 C ATOM 522 NZ LYS T 34 6.145 1.094 15.536 1.00 0.00 N ATOM 0 H LYS T 34 3.330 0.730 10.307 1.00 0.00 H new ATOM 0 HA LYS T 34 2.076 -1.265 11.671 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.735 1.666 12.356 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.842 0.306 13.457 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.242 0.306 11.913 1.00 0.00 H new ATOM 0 HG3 LYS T 34 3.955 1.962 12.410 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.725 1.239 14.766 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.941 -0.434 14.290 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.212 -0.169 13.838 1.00 0.00 H new ATOM 0 HE3 LYS T 34 6.054 1.537 13.467 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.179 1.197 15.569 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.699 1.988 15.825 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.852 0.335 16.184 1.00 0.00 H new ATOM 536 N GLN T 35 -0.100 0.821 10.352 1.00 0.00 N ATOM 537 CA GLN T 35 -1.508 0.990 10.036 1.00 0.00 C ATOM 538 C GLN T 35 -1.997 -0.177 9.190 1.00 0.00 C ATOM 539 O GLN T 35 -2.952 -0.865 9.554 1.00 0.00 O ATOM 540 CB GLN T 35 -1.726 2.309 9.296 1.00 0.00 C ATOM 541 CG GLN T 35 -1.506 3.535 10.165 1.00 0.00 C ATOM 542 CD GLN T 35 -1.852 4.827 9.453 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.190 4.827 8.269 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.767 5.941 10.172 1.00 0.00 N ATOM 0 H GLN T 35 0.516 1.513 9.925 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.078 1.012 10.965 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.050 2.353 8.442 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.742 2.331 8.901 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.111 3.449 11.067 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.464 3.568 10.482 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.483 5.896 11.151 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.986 6.841 9.745 1.00 0.00 H new ATOM 553 N LEU T 36 -1.323 -0.407 8.068 1.00 0.00 N ATOM 554 CA LEU T 36 -1.679 -1.506 7.184 1.00 0.00 C ATOM 555 C LEU T 36 -1.616 -2.821 7.949 1.00 0.00 C ATOM 556 O LEU T 36 -2.215 -3.819 7.549 1.00 0.00 O ATOM 557 CB LEU T 36 -0.738 -1.552 5.979 1.00 0.00 C ATOM 558 CG LEU T 36 -1.425 -1.528 4.612 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.151 -2.839 4.357 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.391 -0.356 4.522 1.00 0.00 C ATOM 0 H LEU T 36 -0.530 0.152 7.752 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.695 -1.350 6.821 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.055 -0.704 6.039 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.131 -2.455 6.047 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.661 -1.404 3.845 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.634 -2.804 3.380 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.436 -3.661 4.379 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.905 -2.993 5.129 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.871 -0.354 3.543 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.150 -0.450 5.298 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -1.845 0.577 4.660 1.00 0.00 H new ATOM 572 N GLU T 37 -0.891 -2.800 9.062 1.00 0.00 N ATOM 573 CA GLU T 37 -0.746 -3.976 9.908 1.00 0.00 C ATOM 574 C GLU T 37 -2.023 -4.218 10.696 1.00 0.00 C ATOM 575 O GLU T 37 -2.684 -5.242 10.533 1.00 0.00 O ATOM 576 CB GLU T 37 0.428 -3.795 10.870 1.00 0.00 C ATOM 577 CG GLU T 37 0.728 -5.032 11.699 1.00 0.00 C ATOM 578 CD GLU T 37 1.308 -4.696 13.059 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.596 -4.068 13.870 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.474 -5.064 13.315 1.00 0.00 O ATOM 0 H GLU T 37 -0.393 -1.976 9.399 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.553 -4.839 9.270 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.317 -3.525 10.299 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.214 -2.962 11.539 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.188 -5.607 11.831 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.428 -5.667 11.157 1.00 0.00 H new ATOM 587 N ALA T 38 -2.364 -3.259 11.549 1.00 0.00 N ATOM 588 CA ALA T 38 -3.563 -3.355 12.366 1.00 0.00 C ATOM 589 C ALA T 38 -4.795 -3.572 11.500 1.00 0.00 C ATOM 590 O ALA T 38 -5.851 -3.971 11.991 1.00 0.00 O ATOM 591 CB ALA T 38 -3.723 -2.107 13.223 1.00 0.00 C ATOM 0 H ALA T 38 -1.824 -2.405 11.691 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.458 -4.217 13.025 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.625 -2.195 13.829 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.857 -2.000 13.876 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.802 -1.231 12.579 1.00 0.00 H new ATOM 597 N ALA T 39 -4.647 -3.322 10.205 1.00 0.00 N ATOM 598 CA ALA T 39 -5.741 -3.505 9.262 1.00 0.00 C ATOM 599 C ALA T 39 -5.657 -4.889 8.645 1.00 0.00 C ATOM 600 O ALA T 39 -6.663 -5.481 8.261 1.00 0.00 O ATOM 601 CB ALA T 39 -5.693 -2.440 8.179 1.00 0.00 C ATOM 0 H ALA T 39 -3.779 -2.992 9.784 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.687 -3.409 9.794 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.518 -2.592 7.483 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.780 -1.454 8.635 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.747 -2.510 7.642 1.00 0.00 H new ATOM 607 N ARG T 40 -4.438 -5.396 8.569 1.00 0.00 N ATOM 608 CA ARG T 40 -4.184 -6.711 8.018 1.00 0.00 C ATOM 609 C ARG T 40 -4.666 -7.786 8.980 1.00 0.00 C ATOM 610 O ARG T 40 -5.160 -8.833 8.562 1.00 0.00 O ATOM 611 CB ARG T 40 -2.690 -6.873 7.758 1.00 0.00 C ATOM 612 CG ARG T 40 -2.274 -8.303 7.446 1.00 0.00 C ATOM 613 CD ARG T 40 -0.762 -8.457 7.425 1.00 0.00 C ATOM 614 NE ARG T 40 -0.168 -8.242 8.741 1.00 0.00 N ATOM 615 CZ ARG T 40 0.047 -9.217 9.620 1.00 0.00 C ATOM 616 NH1 ARG T 40 -0.280 -10.468 9.321 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.591 -8.942 10.798 1.00 0.00 N ATOM 0 H ARG T 40 -3.601 -4.907 8.887 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.727 -6.817 7.079 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.404 -6.231 6.925 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.139 -6.526 8.632 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.698 -8.976 8.191 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.683 -8.598 6.480 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.505 -9.455 7.071 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.336 -7.748 6.716 1.00 0.00 H new ATOM 0 HE ARG T 40 0.097 -7.292 9.001 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.697 -10.684 8.416 1.00 0.00 H new ATOM 0 HH12 ARG T 40 -0.114 -11.214 9.997 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.845 -7.982 11.031 1.00 0.00 H new ATOM 0 HH22 ARG T 40 0.755 -9.691 11.471 1.00 0.00 H new ATOM 631 N LYS T 41 -4.510 -7.521 10.274 1.00 0.00 N ATOM 632 CA LYS T 41 -4.918 -8.464 11.296 1.00 0.00 C ATOM 633 C LYS T 41 -6.433 -8.629 11.336 1.00 0.00 C ATOM 634 O LYS T 41 -6.944 -9.614 11.869 1.00 0.00 O ATOM 635 CB LYS T 41 -4.402 -8.005 12.649 1.00 0.00 C ATOM 636 CG LYS T 41 -3.139 -7.183 12.538 1.00 0.00 C ATOM 637 CD LYS T 41 -2.908 -6.334 13.778 1.00 0.00 C ATOM 638 CE LYS T 41 -2.065 -7.068 14.807 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.573 -6.859 16.191 1.00 0.00 N ATOM 0 H LYS T 41 -4.103 -6.658 10.634 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.489 -9.436 11.052 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.172 -7.416 13.147 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.211 -8.876 13.276 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.286 -7.845 12.387 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -3.201 -6.538 11.662 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.413 -5.405 13.497 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -3.867 -6.063 14.219 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -2.060 -8.134 14.579 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.033 -6.724 14.743 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -1.971 -7.376 16.863 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -2.554 -5.844 16.418 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -3.549 -7.211 16.259 1.00 0.00 H new ATOM 653 N ILE T 42 -7.147 -7.661 10.773 1.00 0.00 N ATOM 654 CA ILE T 42 -8.600 -7.705 10.749 1.00 0.00 C ATOM 655 C ILE T 42 -9.098 -8.504 9.550 1.00 0.00 C ATOM 656 O ILE T 42 -10.254 -8.923 9.504 1.00 0.00 O ATOM 657 CB ILE T 42 -9.191 -6.287 10.694 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.061 -5.721 9.282 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.484 -5.386 11.696 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.334 -5.091 8.759 1.00 0.00 C ATOM 0 H ILE T 42 -6.742 -6.838 10.328 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.928 -8.193 11.667 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.248 -6.333 10.955 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.266 -4.975 9.271 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.758 -6.521 8.606 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.911 -4.384 11.649 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.613 -5.788 12.701 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.421 -5.340 11.457 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.165 -4.711 7.751 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.127 -5.838 8.737 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.628 -4.269 9.412 1.00 0.00 H new ATOM 672 N GLY T 43 -8.210 -8.711 8.583 1.00 0.00 N ATOM 673 CA GLY T 43 -8.568 -9.459 7.393 1.00 0.00 C ATOM 674 C GLY T 43 -8.175 -8.728 6.124 1.00 0.00 C ATOM 675 O GLY T 43 -8.626 -9.082 5.034 1.00 0.00 O ATOM 0 H GLY T 43 -7.248 -8.373 8.603 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.080 -10.433 7.416 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.643 -9.641 7.389 1.00 0.00 H new ATOM 679 N PHE T 44 -7.334 -7.708 6.262 1.00 0.00 N ATOM 680 CA PHE T 44 -6.884 -6.932 5.110 1.00 0.00 C ATOM 681 C PHE T 44 -5.733 -7.635 4.399 1.00 0.00 C ATOM 682 O PHE T 44 -4.666 -7.840 4.977 1.00 0.00 O ATOM 683 CB PHE T 44 -6.454 -5.529 5.543 1.00 0.00 C ATOM 684 CG PHE T 44 -6.411 -4.533 4.419 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.856 -4.875 3.152 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.923 -3.252 4.630 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.815 -3.960 2.118 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.882 -2.333 3.600 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.327 -2.688 2.342 1.00 0.00 C ATOM 0 H PHE T 44 -6.951 -7.400 7.156 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.719 -6.845 4.415 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.141 -5.169 6.309 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.467 -5.587 6.002 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.239 -5.868 2.971 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.571 -2.970 5.611 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.164 -4.239 1.135 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.502 -1.338 3.778 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.293 -1.972 1.534 1.00 0.00 H new ATOM 699 N HIS T 45 -5.960 -8.004 3.143 1.00 0.00 N ATOM 700 CA HIS T 45 -4.945 -8.688 2.351 1.00 0.00 C ATOM 701 C HIS T 45 -4.913 -8.148 0.925 1.00 0.00 C ATOM 702 O HIS T 45 -5.943 -8.081 0.252 1.00 0.00 O ATOM 703 CB HIS T 45 -5.218 -10.195 2.335 1.00 0.00 C ATOM 704 CG HIS T 45 -4.217 -10.993 1.556 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.957 -12.322 1.809 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.412 -10.646 0.523 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.037 -12.757 0.967 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.690 -11.759 0.176 1.00 0.00 N ATOM 0 H HIS T 45 -6.839 -7.841 2.651 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.973 -8.505 2.809 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.237 -10.560 3.362 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.209 -10.369 1.916 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.405 -12.883 2.534 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.350 -9.673 0.059 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.637 -13.759 0.932 1.00 0.00 H new ATOM 717 N VAL T 46 -3.723 -7.771 0.465 1.00 0.00 N ATOM 718 CA VAL T 46 -3.557 -7.245 -0.884 1.00 0.00 C ATOM 719 C VAL T 46 -2.186 -7.601 -1.451 1.00 0.00 C ATOM 720 O VAL T 46 -1.182 -6.976 -1.109 1.00 0.00 O ATOM 721 CB VAL T 46 -3.731 -5.713 -0.932 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.596 -5.314 -2.117 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.327 -5.189 0.366 1.00 0.00 C ATOM 0 H VAL T 46 -2.861 -7.820 1.007 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.336 -7.707 -1.490 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.745 -5.264 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.709 -4.230 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.123 -5.646 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.577 -5.779 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.439 -4.106 0.304 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.303 -5.646 0.529 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.667 -5.439 1.196 1.00 0.00 H new ATOM 733 N CYS T 47 -2.152 -8.605 -2.323 1.00 0.00 N ATOM 734 CA CYS T 47 -0.905 -9.038 -2.942 1.00 0.00 C ATOM 735 C CYS T 47 -0.456 -8.039 -4.005 1.00 0.00 C ATOM 736 O CYS T 47 -0.450 -8.345 -5.197 1.00 0.00 O ATOM 737 CB CYS T 47 -1.079 -10.423 -3.568 1.00 0.00 C ATOM 738 SG CYS T 47 -2.431 -11.403 -2.838 1.00 0.00 S ATOM 0 H CYS T 47 -2.974 -9.133 -2.616 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.139 -9.090 -2.169 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.264 -10.307 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -0.146 -10.977 -3.465 1.00 0.00 H new ATOM 0 HG CYS T 47 -2.225 -11.544 -1.562 1.00 0.00 H new ATOM 743 N ALA T 48 -0.085 -6.843 -3.562 1.00 0.00 N ATOM 744 CA ALA T 48 0.359 -5.793 -4.472 1.00 0.00 C ATOM 745 C ALA T 48 1.064 -4.675 -3.712 1.00 0.00 C ATOM 746 O ALA T 48 0.483 -4.057 -2.818 1.00 0.00 O ATOM 747 CB ALA T 48 -0.824 -5.244 -5.253 1.00 0.00 C ATOM 0 H ALA T 48 -0.083 -6.576 -2.578 1.00 0.00 H new ATOM 0 HA ALA T 48 1.073 -6.225 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.482 -4.461 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.283 -6.047 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.557 -4.830 -4.560 1.00 0.00 H new ATOM 753 N ALA T 49 2.318 -4.419 -4.073 1.00 0.00 N ATOM 754 CA ALA T 49 3.104 -3.375 -3.426 1.00 0.00 C ATOM 755 C ALA T 49 2.277 -2.111 -3.220 1.00 0.00 C ATOM 756 O ALA T 49 1.896 -1.445 -4.180 1.00 0.00 O ATOM 757 CB ALA T 49 4.345 -3.067 -4.249 1.00 0.00 C ATOM 0 H ALA T 49 2.812 -4.921 -4.811 1.00 0.00 H new ATOM 0 HA ALA T 49 3.410 -3.739 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.924 -2.286 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.953 -3.967 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.048 -2.727 -5.241 1.00 0.00 H new ATOM 763 N GLY T 50 2.001 -1.788 -1.961 1.00 0.00 N ATOM 764 CA GLY T 50 1.221 -0.604 -1.658 1.00 0.00 C ATOM 765 C GLY T 50 2.037 0.479 -0.984 1.00 0.00 C ATOM 766 O GLY T 50 2.626 0.258 0.075 1.00 0.00 O ATOM 0 H GLY T 50 2.303 -2.324 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.794 -0.210 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.387 -0.879 -1.012 1.00 0.00 H new ATOM 770 N TRP T 51 2.076 1.651 -1.605 1.00 0.00 N ATOM 771 CA TRP T 51 2.832 2.779 -1.074 1.00 0.00 C ATOM 772 C TRP T 51 2.392 3.141 0.341 1.00 0.00 C ATOM 773 O TRP T 51 1.333 2.719 0.806 1.00 0.00 O ATOM 774 CB TRP T 51 2.673 3.991 -1.990 1.00 0.00 C ATOM 775 CG TRP T 51 3.530 3.915 -3.212 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.123 3.620 -4.480 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.942 4.130 -3.276 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.202 3.642 -5.335 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.330 3.953 -4.618 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.914 4.458 -2.329 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.654 4.093 -5.033 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.225 4.597 -2.740 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.585 4.415 -4.082 1.00 0.00 C ATOM 0 H TRP T 51 1.591 1.846 -2.481 1.00 0.00 H new ATOM 0 HA TRP T 51 3.880 2.483 -1.032 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.629 4.078 -2.290 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.922 4.895 -1.434 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.106 3.402 -4.770 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.168 3.457 -6.338 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.645 4.601 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.935 3.953 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.985 4.850 -2.016 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.619 4.531 -4.372 1.00 0.00 H new ATOM 794 N MET T 52 3.218 3.937 1.015 1.00 0.00 N ATOM 795 CA MET T 52 2.935 4.378 2.374 1.00 0.00 C ATOM 796 C MET T 52 3.734 5.638 2.700 1.00 0.00 C ATOM 797 O MET T 52 4.671 5.989 1.985 1.00 0.00 O ATOM 798 CB MET T 52 3.261 3.274 3.383 1.00 0.00 C ATOM 799 CG MET T 52 4.284 2.267 2.886 1.00 0.00 C ATOM 800 SD MET T 52 4.639 0.979 4.096 1.00 0.00 S ATOM 801 CE MET T 52 3.321 -0.184 3.751 1.00 0.00 C ATOM 0 H MET T 52 4.096 4.291 0.636 1.00 0.00 H new ATOM 0 HA MET T 52 1.871 4.605 2.443 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.632 3.732 4.300 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.342 2.747 3.639 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.918 1.806 1.968 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.208 2.788 2.635 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.689 -0.289 4.633 1.00 0.00 H new ATOM 0 HE2 MET T 52 2.722 0.182 2.917 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.749 -1.153 3.493 1.00 0.00 H new ATOM 811 N ALA T 53 3.353 6.314 3.779 1.00 0.00 N ATOM 812 CA ALA T 53 4.032 7.537 4.195 1.00 0.00 C ATOM 813 C ALA T 53 5.547 7.358 4.210 1.00 0.00 C ATOM 814 O ALA T 53 6.050 6.237 4.299 1.00 0.00 O ATOM 815 CB ALA T 53 3.538 7.970 5.567 1.00 0.00 C ATOM 0 H ALA T 53 2.578 6.036 4.381 1.00 0.00 H new ATOM 0 HA ALA T 53 3.797 8.315 3.468 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.052 8.883 5.867 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.464 8.154 5.526 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.744 7.183 6.293 1.00 0.00 H new ATOM 821 N LYS T 54 6.268 8.476 4.127 1.00 0.00 N ATOM 822 CA LYS T 54 7.728 8.462 4.137 1.00 0.00 C ATOM 823 C LYS T 54 8.294 8.090 2.767 1.00 0.00 C ATOM 824 O LYS T 54 9.423 8.452 2.436 1.00 0.00 O ATOM 825 CB LYS T 54 8.248 7.488 5.196 1.00 0.00 C ATOM 826 CG LYS T 54 9.117 8.143 6.257 1.00 0.00 C ATOM 827 CD LYS T 54 8.344 8.398 7.541 1.00 0.00 C ATOM 828 CE LYS T 54 9.095 9.343 8.464 1.00 0.00 C ATOM 829 NZ LYS T 54 8.338 10.601 8.711 1.00 0.00 N ATOM 0 H LYS T 54 5.860 9.408 4.052 1.00 0.00 H new ATOM 0 HA LYS T 54 8.063 9.470 4.381 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.399 7.006 5.681 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.822 6.703 4.704 1.00 0.00 H new ATOM 0 HG2 LYS T 54 9.974 7.505 6.470 1.00 0.00 H new ATOM 0 HG3 LYS T 54 9.509 9.086 5.875 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.368 8.820 7.302 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.165 7.453 8.053 1.00 0.00 H new ATOM 0 HE2 LYS T 54 9.289 8.844 9.414 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.064 9.583 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 8.886 11.217 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 8.175 11.091 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 7.424 10.375 9.152 1.00 0.00 H new ATOM 843 N GLY T 55 7.510 7.364 1.977 1.00 0.00 N ATOM 844 CA GLY T 55 7.961 6.957 0.661 1.00 0.00 C ATOM 845 C GLY T 55 8.236 5.469 0.604 1.00 0.00 C ATOM 846 O GLY T 55 8.967 4.996 -0.266 1.00 0.00 O ATOM 0 H GLY T 55 6.571 7.051 2.225 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.205 7.217 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.866 7.506 0.400 1.00 0.00 H new ATOM 850 N ARG T 56 7.648 4.731 1.539 1.00 0.00 N ATOM 851 CA ARG T 56 7.829 3.287 1.601 1.00 0.00 C ATOM 852 C ARG T 56 6.708 2.564 0.865 1.00 0.00 C ATOM 853 O ARG T 56 5.644 3.132 0.619 1.00 0.00 O ATOM 854 CB ARG T 56 7.874 2.822 3.059 1.00 0.00 C ATOM 855 CG ARG T 56 9.281 2.726 3.625 1.00 0.00 C ATOM 856 CD ARG T 56 9.315 3.123 5.092 1.00 0.00 C ATOM 857 NE ARG T 56 10.211 2.273 5.870 1.00 0.00 N ATOM 858 CZ ARG T 56 9.799 1.240 6.598 1.00 0.00 C ATOM 859 NH1 ARG T 56 8.510 0.931 6.645 1.00 0.00 N ATOM 860 NH2 ARG T 56 10.676 0.515 7.280 1.00 0.00 N ATOM 0 H ARG T 56 7.041 5.111 2.265 1.00 0.00 H new ATOM 0 HA ARG T 56 8.774 3.045 1.115 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.292 3.512 3.670 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.394 1.847 3.135 1.00 0.00 H new ATOM 0 HG2 ARG T 56 9.651 1.707 3.513 1.00 0.00 H new ATOM 0 HG3 ARG T 56 9.949 3.372 3.056 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.635 4.161 5.179 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.309 3.064 5.507 1.00 0.00 H new ATOM 0 HE ARG T 56 11.209 2.483 5.854 1.00 0.00 H new ATOM 0 HH11 ARG T 56 7.833 1.486 6.122 1.00 0.00 H new ATOM 0 HH12 ARG T 56 8.196 0.138 7.204 1.00 0.00 H new ATOM 0 HH21 ARG T 56 11.668 0.750 7.246 1.00 0.00 H new ATOM 0 HH22 ARG T 56 10.358 -0.277 7.838 1.00 0.00 H new ATOM 874 N VAL T 57 6.957 1.309 0.516 1.00 0.00 N ATOM 875 CA VAL T 57 5.978 0.499 -0.188 1.00 0.00 C ATOM 876 C VAL T 57 6.268 -0.986 0.002 1.00 0.00 C ATOM 877 O VAL T 57 7.252 -1.509 -0.521 1.00 0.00 O ATOM 878 CB VAL T 57 5.961 0.834 -1.689 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.372 1.084 -2.198 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.284 -0.272 -2.486 1.00 0.00 C ATOM 0 H VAL T 57 7.836 0.829 0.712 1.00 0.00 H new ATOM 0 HA VAL T 57 4.999 0.727 0.233 1.00 0.00 H new ATOM 0 HB VAL T 57 5.382 1.747 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.339 1.319 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.812 1.920 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.978 0.192 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.285 -0.011 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL T 57 5.825 -1.207 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.256 -0.391 -2.143 1.00 0.00 H new ATOM 890 N GLY T 58 5.408 -1.658 0.762 1.00 0.00 N ATOM 891 CA GLY T 58 5.593 -3.075 1.017 1.00 0.00 C ATOM 892 C GLY T 58 4.469 -3.913 0.447 1.00 0.00 C ATOM 893 O GLY T 58 3.654 -3.422 -0.334 1.00 0.00 O ATOM 0 H GLY T 58 4.587 -1.246 1.205 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.540 -3.399 0.585 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.659 -3.243 2.092 1.00 0.00 H new ATOM 897 N TYR T 59 4.425 -5.183 0.835 1.00 0.00 N ATOM 898 CA TYR T 59 3.390 -6.089 0.351 1.00 0.00 C ATOM 899 C TYR T 59 2.771 -6.881 1.499 1.00 0.00 C ATOM 900 O TYR T 59 3.195 -7.997 1.798 1.00 0.00 O ATOM 901 CB TYR T 59 3.964 -7.049 -0.695 1.00 0.00 C ATOM 902 CG TYR T 59 5.302 -6.608 -1.247 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.418 -5.450 -2.006 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.450 -7.354 -1.011 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.638 -5.048 -2.513 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.675 -6.959 -1.515 1.00 0.00 C ATOM 907 CZ TYR T 59 7.764 -5.805 -2.266 1.00 0.00 C ATOM 908 OH TYR T 59 8.980 -5.407 -2.770 1.00 0.00 O ATOM 0 H TYR T 59 5.091 -5.607 1.481 1.00 0.00 H new ATOM 0 HA TYR T 59 2.609 -5.485 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.072 -8.038 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.254 -7.145 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.539 -4.854 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.384 -8.258 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.710 -4.145 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.558 -7.551 -1.322 1.00 0.00 H new ATOM 0 HH TYR T 59 9.689 -5.636 -2.133 1.00 0.00 H new ATOM 918 N PRO T 60 1.750 -6.308 2.157 1.00 0.00 N ATOM 919 CA PRO T 60 1.061 -6.963 3.275 1.00 0.00 C ATOM 920 C PRO T 60 0.285 -8.196 2.823 1.00 0.00 C ATOM 921 O PRO T 60 -0.630 -8.100 2.006 1.00 0.00 O ATOM 922 CB PRO T 60 0.098 -5.887 3.785 1.00 0.00 C ATOM 923 CG PRO T 60 -0.088 -4.948 2.647 1.00 0.00 C ATOM 924 CD PRO T 60 1.188 -4.980 1.855 1.00 0.00 C ATOM 0 HA PRO T 60 1.759 -7.319 4.033 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.852 -6.324 4.092 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.508 -5.373 4.654 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.935 -5.249 2.030 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.297 -3.940 3.006 1.00 0.00 H new ATOM 0 HD2 PRO T 60 1.001 -4.857 0.788 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.866 -4.180 2.154 1.00 0.00 H new ATOM 932 N ILE T 61 0.661 -9.354 3.355 1.00 0.00 N ATOM 933 CA ILE T 61 0.001 -10.605 2.997 1.00 0.00 C ATOM 934 C ILE T 61 -0.314 -11.441 4.235 1.00 0.00 C ATOM 935 O ILE T 61 0.588 -11.843 4.970 1.00 0.00 O ATOM 936 CB ILE T 61 0.876 -11.439 2.040 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.312 -10.592 0.843 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.124 -12.677 1.575 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.164 -10.153 -0.040 1.00 0.00 C ATOM 0 H ILE T 61 1.416 -9.453 4.033 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.931 -10.340 2.498 1.00 0.00 H new ATOM 0 HB ILE T 61 1.768 -11.762 2.577 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.838 -9.709 1.206 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.022 -11.163 0.244 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.756 -13.254 0.900 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.139 -13.288 2.438 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.784 -12.376 1.053 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.549 -9.557 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.349 -11.031 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.536 -9.555 0.544 1.00 0.00 H new ATOM 951 N VAL T 62 -1.599 -11.707 4.454 1.00 0.00 N ATOM 952 CA VAL T 62 -2.031 -12.501 5.598 1.00 0.00 C ATOM 953 C VAL T 62 -2.262 -13.954 5.195 1.00 0.00 C ATOM 954 O VAL T 62 -2.188 -14.860 6.026 1.00 0.00 O ATOM 955 CB VAL T 62 -3.325 -11.947 6.225 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.108 -11.615 7.693 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.815 -10.726 5.461 1.00 0.00 C ATOM 0 H VAL T 62 -2.358 -11.384 3.854 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.231 -12.445 6.337 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.094 -12.717 6.159 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.033 -11.225 8.118 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.813 -12.516 8.230 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.322 -10.865 7.784 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.729 -10.352 5.921 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.051 -9.949 5.488 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.016 -11.001 4.426 1.00 0.00 H new ATOM 1104 N THR T 73 4.705 -13.944 4.820 1.00 0.00 N ATOM 1105 CA THR T 73 3.888 -13.702 6.000 1.00 0.00 C ATOM 1106 C THR T 73 4.055 -12.272 6.501 1.00 0.00 C ATOM 1107 O THR T 73 5.175 -11.783 6.652 1.00 0.00 O ATOM 1108 CB THR T 73 4.250 -14.675 7.135 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.578 -15.177 6.948 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.267 -15.836 7.187 1.00 0.00 C ATOM 0 HA THR T 73 2.850 -13.861 5.707 1.00 0.00 H new ATOM 0 HB THR T 73 4.198 -14.131 8.078 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.847 -15.051 6.014 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.543 -16.511 7.997 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.261 -15.454 7.360 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.292 -16.376 6.241 1.00 0.00 H new ATOM 1118 N GLY T 74 2.934 -11.604 6.755 1.00 0.00 N ATOM 1119 CA GLY T 74 2.978 -10.235 7.234 1.00 0.00 C ATOM 1120 C GLY T 74 3.305 -9.258 6.122 1.00 0.00 C ATOM 1121 O GLY T 74 3.335 -9.631 4.949 1.00 0.00 O ATOM 0 H GLY T 74 1.996 -11.987 6.638 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.016 -9.974 7.676 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.725 -10.150 8.023 1.00 0.00 H new ATOM 1125 N ILE T 75 3.551 -8.004 6.489 1.00 0.00 N ATOM 1126 CA ILE T 75 3.876 -6.975 5.508 1.00 0.00 C ATOM 1127 C ILE T 75 5.352 -7.017 5.136 1.00 0.00 C ATOM 1128 O ILE T 75 6.224 -6.883 5.994 1.00 0.00 O ATOM 1129 CB ILE T 75 3.535 -5.566 6.025 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.061 -5.489 6.429 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.859 -4.523 4.965 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.560 -4.079 6.648 1.00 0.00 C ATOM 0 H ILE T 75 3.532 -7.677 7.455 1.00 0.00 H new ATOM 0 HA ILE T 75 3.271 -7.185 4.626 1.00 0.00 H new ATOM 0 HB ILE T 75 4.142 -5.360 6.907 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.457 -5.963 5.655 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.914 -6.063 7.344 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.613 -3.531 5.344 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.921 -4.567 4.724 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.275 -4.724 4.067 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.508 -4.107 6.931 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.138 -3.607 7.443 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.673 -3.506 5.728 1.00 0.00 H new ATOM 1144 N ILE T 76 5.623 -7.201 3.849 1.00 0.00 N ATOM 1145 CA ILE T 76 6.995 -7.254 3.361 1.00 0.00 C ATOM 1146 C ILE T 76 7.444 -5.887 2.857 1.00 0.00 C ATOM 1147 O ILE T 76 7.407 -5.613 1.657 1.00 0.00 O ATOM 1148 CB ILE T 76 7.152 -8.289 2.230 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.418 -9.586 2.586 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.624 -8.564 1.966 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.626 -10.029 4.018 1.00 0.00 C ATOM 0 H ILE T 76 4.912 -7.316 3.126 1.00 0.00 H new ATOM 0 HA ILE T 76 7.622 -7.555 4.200 1.00 0.00 H new ATOM 0 HB ILE T 76 6.708 -7.881 1.322 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.351 -9.450 2.408 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.754 -10.379 1.917 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.719 -9.297 1.165 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.120 -7.639 1.672 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.089 -8.954 2.871 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.077 -10.953 4.196 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.688 -10.198 4.196 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.263 -9.255 4.695 1.00 0.00 H new ATOM 1163 N ASP T 77 7.864 -5.031 3.783 1.00 0.00 N ATOM 1164 CA ASP T 77 8.319 -3.689 3.439 1.00 0.00 C ATOM 1165 C ASP T 77 9.827 -3.559 3.626 1.00 0.00 C ATOM 1166 O ASP T 77 10.333 -3.642 4.745 1.00 0.00 O ATOM 1167 CB ASP T 77 7.596 -2.649 4.298 1.00 0.00 C ATOM 1168 CG ASP T 77 7.615 -1.267 3.676 1.00 0.00 C ATOM 1169 OD1 ASP T 77 7.838 -1.169 2.451 1.00 0.00 O ATOM 1170 OD2 ASP T 77 7.408 -0.281 4.415 1.00 0.00 O ATOM 0 H ASP T 77 7.899 -5.244 4.780 1.00 0.00 H new ATOM 0 HA ASP T 77 8.086 -3.511 2.389 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.563 -2.962 4.448 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.063 -2.607 5.282 1.00 0.00 H new ATOM 1175 N TYR T 78 10.538 -3.360 2.522 1.00 0.00 N ATOM 1176 CA TYR T 78 11.985 -3.222 2.557 1.00 0.00 C ATOM 1177 C TYR T 78 12.391 -1.820 3.004 1.00 0.00 C ATOM 1178 O TYR T 78 13.468 -1.626 3.568 1.00 0.00 O ATOM 1179 CB TYR T 78 12.567 -3.520 1.176 1.00 0.00 C ATOM 1180 CG TYR T 78 12.259 -4.914 0.676 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.949 -5.312 0.436 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.276 -5.832 0.445 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.662 -6.585 -0.019 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.996 -7.106 -0.011 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.689 -7.478 -0.242 1.00 0.00 C ATOM 1186 OH TYR T 78 11.407 -8.745 -0.697 1.00 0.00 O ATOM 0 H TYR T 78 10.132 -3.291 1.589 1.00 0.00 H new ATOM 0 HA TYR T 78 12.381 -3.936 3.279 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.178 -2.793 0.463 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.648 -3.386 1.210 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.142 -4.615 0.608 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.302 -5.545 0.625 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.639 -6.879 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.798 -7.808 -0.186 1.00 0.00 H new ATOM 0 HH TYR T 78 12.242 -9.248 -0.803 1.00 0.00 H new ATOM 1196 N GLY T 79 11.522 -0.848 2.748 1.00 0.00 N ATOM 1197 CA GLY T 79 11.807 0.523 3.132 1.00 0.00 C ATOM 1198 C GLY T 79 11.941 1.415 1.912 1.00 0.00 C ATOM 1199 O GLY T 79 11.996 0.928 0.783 1.00 0.00 O ATOM 0 H GLY T 79 10.625 -0.985 2.281 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.010 0.897 3.774 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.728 0.557 3.714 1.00 0.00 H new ATOM 1203 N ILE T 80 11.995 2.724 2.141 1.00 0.00 N ATOM 1204 CA ILE T 80 12.123 3.685 1.060 1.00 0.00 C ATOM 1205 C ILE T 80 13.312 3.359 0.169 1.00 0.00 C ATOM 1206 O ILE T 80 14.465 3.584 0.540 1.00 0.00 O ATOM 1207 CB ILE T 80 12.281 5.105 1.617 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.363 5.282 2.820 1.00 0.00 C ATOM 1209 CG2 ILE T 80 11.983 6.141 0.543 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.560 6.592 3.554 1.00 0.00 C ATOM 0 H ILE T 80 11.952 3.141 3.071 1.00 0.00 H new ATOM 0 HA ILE T 80 11.213 3.628 0.463 1.00 0.00 H new ATOM 0 HB ILE T 80 13.313 5.253 1.937 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.327 5.215 2.487 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.528 4.459 3.515 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.101 7.141 0.960 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.674 6.011 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE T 80 10.960 6.014 0.189 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.871 6.644 4.397 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.585 6.654 3.919 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.366 7.422 2.875 1.00 0.00 H new ATOM 1222 N ARG T 81 13.019 2.826 -1.006 1.00 0.00 N ATOM 1223 CA ARG T 81 14.058 2.460 -1.963 1.00 0.00 C ATOM 1224 C ARG T 81 14.371 3.622 -2.899 1.00 0.00 C ATOM 1225 O ARG T 81 14.920 3.427 -3.983 1.00 0.00 O ATOM 1226 CB ARG T 81 13.624 1.238 -2.773 1.00 0.00 C ATOM 1227 CG ARG T 81 13.708 -0.066 -1.998 1.00 0.00 C ATOM 1228 CD ARG T 81 14.520 -1.109 -2.746 1.00 0.00 C ATOM 1229 NE ARG T 81 14.010 -2.460 -2.527 1.00 0.00 N ATOM 1230 CZ ARG T 81 14.423 -3.523 -3.209 1.00 0.00 C ATOM 1231 NH1 ARG T 81 15.347 -3.391 -4.152 1.00 0.00 N ATOM 1232 NH2 ARG T 81 13.912 -4.718 -2.951 1.00 0.00 N ATOM 0 H ARG T 81 12.068 2.636 -1.323 1.00 0.00 H new ATOM 0 HA ARG T 81 14.962 2.216 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.599 1.383 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.248 1.163 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG T 81 14.160 0.118 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.703 -0.448 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.505 -0.884 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.560 -1.058 -2.424 1.00 0.00 H new ATOM 0 HE ARG T 81 13.297 -2.595 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.742 -2.472 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG T 81 15.663 -4.208 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG T 81 13.200 -4.823 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG T 81 14.230 -5.533 -3.476 1.00 0.00 H new ATOM 1246 N LEU T 82 14.016 4.832 -2.474 1.00 0.00 N ATOM 1247 CA LEU T 82 14.258 6.025 -3.276 1.00 0.00 C ATOM 1248 C LEU T 82 13.765 5.828 -4.705 1.00 0.00 C ATOM 1249 O LEU T 82 14.414 6.253 -5.661 1.00 0.00 O ATOM 1250 CB LEU T 82 15.746 6.371 -3.282 1.00 0.00 C ATOM 1251 CG LEU T 82 16.156 7.555 -2.402 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.952 8.866 -3.145 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.369 7.553 -1.099 1.00 0.00 C ATOM 0 H LEU T 82 13.560 5.011 -1.579 1.00 0.00 H new ATOM 0 HA LEU T 82 13.704 6.850 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.306 5.492 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.047 6.583 -4.308 1.00 0.00 H new ATOM 0 HG LEU T 82 17.215 7.454 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.248 9.697 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.560 8.870 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.901 8.972 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.675 8.402 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.304 7.628 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.564 6.627 -0.558 1.00 0.00 H new ATOM 1265 N ASN T 83 12.614 5.181 -4.842 1.00 0.00 N ATOM 1266 CA ASN T 83 12.033 4.928 -6.154 1.00 0.00 C ATOM 1267 C ASN T 83 10.596 5.436 -6.221 1.00 0.00 C ATOM 1268 O ASN T 83 9.680 4.691 -6.571 1.00 0.00 O ATOM 1269 CB ASN T 83 12.074 3.431 -6.472 1.00 0.00 C ATOM 1270 CG ASN T 83 12.889 3.129 -7.714 1.00 0.00 C ATOM 1271 OD1 ASN T 83 13.855 2.366 -7.666 1.00 0.00 O ATOM 1272 ND2 ASN T 83 12.504 3.727 -8.835 1.00 0.00 N ATOM 0 H ASN T 83 12.065 4.822 -4.061 1.00 0.00 H new ATOM 0 HA ASN T 83 12.623 5.467 -6.896 1.00 0.00 H new ATOM 0 HB2 ASN T 83 12.496 2.893 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.057 3.063 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.015 3.562 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN T 83 11.698 4.352 -8.829 1.00 0.00 H new ATOM 1279 N ARG T 84 10.405 6.708 -5.886 1.00 0.00 N ATOM 1280 CA ARG T 84 9.082 7.314 -5.912 1.00 0.00 C ATOM 1281 C ARG T 84 8.571 7.439 -7.344 1.00 0.00 C ATOM 1282 O ARG T 84 7.561 8.094 -7.598 1.00 0.00 O ATOM 1283 CB ARG T 84 9.122 8.692 -5.252 1.00 0.00 C ATOM 1284 CG ARG T 84 9.632 8.668 -3.820 1.00 0.00 C ATOM 1285 CD ARG T 84 9.855 10.071 -3.281 1.00 0.00 C ATOM 1286 NE ARG T 84 11.252 10.311 -2.928 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.646 11.265 -2.092 1.00 0.00 C ATOM 1288 NH1 ARG T 84 10.754 12.064 -1.525 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.935 11.420 -1.820 1.00 0.00 N ATOM 0 H ARG T 84 11.152 7.338 -5.593 1.00 0.00 H new ATOM 0 HA ARG T 84 8.400 6.670 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.758 9.350 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG T 84 8.120 9.121 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.916 8.144 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.566 8.108 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.541 10.800 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.228 10.225 -2.402 1.00 0.00 H new ATOM 0 HE ARG T 84 11.964 9.713 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG T 84 9.762 11.947 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.060 12.796 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG T 84 13.625 10.806 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.236 12.153 -1.178 1.00 0.00 H new ATOM 1303 N SER T 85 9.276 6.804 -8.274 1.00 0.00 N ATOM 1304 CA SER T 85 8.894 6.838 -9.679 1.00 0.00 C ATOM 1305 C SER T 85 8.517 5.444 -10.167 1.00 0.00 C ATOM 1306 O SER T 85 8.312 5.227 -11.362 1.00 0.00 O ATOM 1307 CB SER T 85 10.038 7.398 -10.528 1.00 0.00 C ATOM 1308 OG SER T 85 10.314 8.746 -10.186 1.00 0.00 O ATOM 0 H SER T 85 10.116 6.259 -8.079 1.00 0.00 H new ATOM 0 HA SER T 85 8.026 7.489 -9.781 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.933 6.792 -10.384 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.777 7.334 -11.584 1.00 0.00 H new ATOM 0 HG SER T 85 11.049 9.080 -10.741 1.00 0.00 H new ATOM 1314 N GLU T 86 8.421 4.503 -9.233 1.00 0.00 N ATOM 1315 CA GLU T 86 8.064 3.130 -9.563 1.00 0.00 C ATOM 1316 C GLU T 86 6.577 3.026 -9.884 1.00 0.00 C ATOM 1317 O GLU T 86 5.892 4.039 -10.015 1.00 0.00 O ATOM 1318 CB GLU T 86 8.421 2.195 -8.406 1.00 0.00 C ATOM 1319 CG GLU T 86 9.799 1.567 -8.536 1.00 0.00 C ATOM 1320 CD GLU T 86 9.788 0.308 -9.383 1.00 0.00 C ATOM 1321 OE1 GLU T 86 8.944 0.216 -10.298 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.623 -0.585 -9.129 1.00 0.00 O ATOM 0 H GLU T 86 8.586 4.668 -8.240 1.00 0.00 H new ATOM 0 HA GLU T 86 8.631 2.830 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.371 2.752 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.674 1.403 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.484 2.291 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.181 1.329 -7.543 1.00 0.00 H new ATOM 1329 N ARG T 87 6.083 1.800 -10.012 1.00 0.00 N ATOM 1330 CA ARG T 87 4.675 1.583 -10.319 1.00 0.00 C ATOM 1331 C ARG T 87 4.082 0.467 -9.470 1.00 0.00 C ATOM 1332 O ARG T 87 4.473 -0.693 -9.583 1.00 0.00 O ATOM 1333 CB ARG T 87 4.490 1.255 -11.800 1.00 0.00 C ATOM 1334 CG ARG T 87 5.528 1.890 -12.711 1.00 0.00 C ATOM 1335 CD ARG T 87 6.500 0.859 -13.263 1.00 0.00 C ATOM 1336 NE ARG T 87 5.805 -0.259 -13.895 1.00 0.00 N ATOM 1337 CZ ARG T 87 6.417 -1.354 -14.333 1.00 0.00 C ATOM 1338 NH1 ARG T 87 7.732 -1.475 -14.210 1.00 0.00 N ATOM 1339 NH2 ARG T 87 5.715 -2.329 -14.895 1.00 0.00 N ATOM 0 H ARG T 87 6.632 0.947 -9.909 1.00 0.00 H new ATOM 0 HA ARG T 87 4.147 2.508 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.523 0.173 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.499 1.583 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.027 2.396 -13.536 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.080 2.651 -12.159 1.00 0.00 H new ATOM 0 HD2 ARG T 87 7.160 1.334 -13.989 1.00 0.00 H new ATOM 0 HD3 ARG T 87 7.130 0.485 -12.456 1.00 0.00 H new ATOM 0 HE ARG T 87 4.793 -0.196 -14.006 1.00 0.00 H new ATOM 0 HH11 ARG T 87 8.275 -0.727 -13.779 1.00 0.00 H new ATOM 0 HH12 ARG T 87 8.200 -2.316 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.704 -2.239 -14.992 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.187 -3.169 -15.231 1.00 0.00 H new ATOM 1353 N TRP T 88 3.121 0.835 -8.633 1.00 0.00 N ATOM 1354 CA TRP T 88 2.441 -0.118 -7.761 1.00 0.00 C ATOM 1355 C TRP T 88 1.050 0.393 -7.411 1.00 0.00 C ATOM 1356 O TRP T 88 0.473 1.202 -8.138 1.00 0.00 O ATOM 1357 CB TRP T 88 3.229 -0.349 -6.466 1.00 0.00 C ATOM 1358 CG TRP T 88 4.715 -0.287 -6.630 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.524 0.778 -6.356 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.572 -1.337 -7.089 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.832 0.455 -6.624 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.887 -0.838 -7.076 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.353 -2.651 -7.513 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 7.979 -1.607 -7.469 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.437 -3.414 -7.903 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.736 -2.890 -7.879 1.00 0.00 C ATOM 0 H TRP T 88 2.791 1.796 -8.538 1.00 0.00 H new ATOM 0 HA TRP T 88 2.366 -1.063 -8.299 1.00 0.00 H new ATOM 0 HB2 TRP T 88 2.925 0.397 -5.732 1.00 0.00 H new ATOM 0 HB3 TRP T 88 2.960 -1.324 -6.060 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.186 1.734 -5.983 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.632 1.076 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.355 -3.062 -7.535 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 8.982 -1.206 -7.451 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.280 -4.431 -8.232 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.563 -3.511 -8.190 1.00 0.00 H new ATOM 1377 N ASP T 89 0.526 -0.076 -6.284 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.784 0.335 -5.818 1.00 0.00 C ATOM 1379 C ASP T 89 -0.647 1.397 -4.733 1.00 0.00 C ATOM 1380 O ASP T 89 0.451 1.889 -4.471 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.549 -0.871 -5.279 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.995 -2.178 -5.807 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.123 -2.557 -5.400 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.678 -2.822 -6.629 1.00 0.00 O ATOM 0 H ASP T 89 0.996 -0.746 -5.675 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.338 0.759 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.503 -0.872 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.600 -0.786 -5.554 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.761 1.752 -4.106 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.748 2.759 -3.056 1.00 0.00 C ATOM 1391 C ALA T 90 -2.729 2.414 -1.940 1.00 0.00 C ATOM 1392 O ALA T 90 -3.892 2.105 -2.198 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.084 4.123 -3.637 1.00 0.00 C ATOM 0 H ALA T 90 -2.681 1.359 -4.306 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.746 2.783 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.072 4.870 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.347 4.387 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.075 4.091 -4.090 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.258 2.480 -0.698 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.100 2.190 0.453 1.00 0.00 C ATOM 1401 C TYR T 91 -3.664 3.483 1.029 1.00 0.00 C ATOM 1402 O TYR T 91 -2.922 4.323 1.534 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.299 1.447 1.521 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.111 -0.024 1.231 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.182 -0.908 1.275 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.858 -0.526 0.910 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.007 -2.251 1.004 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.676 -1.869 0.638 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.753 -2.726 0.686 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.577 -4.064 0.413 1.00 0.00 O ATOM 0 H TYR T 91 -1.297 2.732 -0.465 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.926 1.557 0.130 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.320 1.916 1.619 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.803 1.557 2.481 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.166 -0.540 1.525 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.011 0.143 0.872 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.849 -2.926 1.041 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.306 -2.244 0.389 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.839 -4.174 -0.222 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.979 3.645 0.937 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.633 4.844 1.438 1.00 0.00 C ATOM 1422 C CYS T 92 -6.040 4.684 2.898 1.00 0.00 C ATOM 1423 O CYS T 92 -6.276 3.572 3.370 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.860 5.164 0.586 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.478 6.032 -0.970 1.00 0.00 S ATOM 0 H CYS T 92 -5.611 2.961 0.520 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.922 5.668 1.374 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.380 4.235 0.353 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.547 5.775 1.172 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.121 5.805 3.605 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.502 5.797 5.011 1.00 0.00 C ATOM 1432 C TYR T 93 -7.399 6.987 5.335 1.00 0.00 C ATOM 1433 O TYR T 93 -7.104 8.121 4.957 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.262 5.826 5.906 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.582 5.638 7.372 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.234 6.628 8.095 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.238 4.464 8.030 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.534 6.457 9.432 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.534 4.284 9.367 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.182 5.283 10.065 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.480 5.107 11.396 1.00 0.00 O ATOM 0 H TYR T 93 -5.927 6.732 3.226 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.055 4.877 5.202 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.573 5.043 5.588 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.747 6.777 5.772 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.512 7.548 7.603 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.731 3.680 7.488 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.041 7.238 9.979 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.260 3.365 9.864 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.165 4.226 11.688 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.490 6.719 6.039 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.430 7.764 6.420 1.00 0.00 C ATOM 1453 C ASN T 94 -10.174 7.379 7.693 1.00 0.00 C ATOM 1454 O ASN T 94 -10.537 6.218 7.884 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.429 8.017 5.290 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.100 9.262 4.491 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.298 10.094 4.915 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.722 9.396 3.325 1.00 0.00 N ATOM 0 H ASN T 94 -8.746 5.785 6.358 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.867 8.678 6.608 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -10.444 7.155 4.623 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.430 8.113 5.710 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.542 10.213 2.742 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.379 8.681 3.013 1.00 0.00 H new