USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 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 32 THR OG1 : rot 150:sc= -1.72 USER MOD Set 1.2: T 35 GLN : amide:sc= 0.00759 K(o=-1.7,f=-4.8!) USER MOD Set 2.1: T 16 TYR OH : rot 97:sc= 0.38 USER MOD Set 2.2: T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: T 9 SER OG : rot 180:sc= 0 USER MOD Set 3.2: T 13 LYS NZ :NH3+ -126:sc= -1.28! (180deg=-2.96!) USER MOD Single : T 3 TYR OH : rot 180:sc= 0 USER MOD Single : T 4 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-7.6!) USER MOD Single : T 11 LYS NZ :NH3+ -165:sc= -0.104 (180deg=-0.464) USER MOD Single : T 12 TYR OH : rot 90:sc= -0.571 USER MOD Single : T 15 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : T 29 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-5.7!) 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-8.8!) USER MOD Single : T 47 CYS SG : rot 180:sc= 0 USER MOD Single : T 52 MET CE :methyl -121:sc= -0.299 (180deg=-2.89!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 180:sc= 0 USER MOD Single : T 73 THR OG1 : rot -15:sc= 0.677 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : T 85 SER OG : rot -39:sc= 0.368 USER MOD Single : T 91 TYR OH : rot 134:sc= -1.12 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -1.21 K(o=-1.2,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.123 2.309 7.146 1.00 0.00 N ATOM 11 CA VAL T 2 -7.182 2.152 6.046 1.00 0.00 C ATOM 12 C VAL T 2 -7.599 1.022 5.110 1.00 0.00 C ATOM 13 O VAL T 2 -8.196 0.034 5.540 1.00 0.00 O ATOM 14 CB VAL T 2 -5.763 1.873 6.573 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.804 0.877 7.720 1.00 0.00 C ATOM 16 CG2 VAL T 2 -4.860 1.376 5.457 1.00 0.00 C ATOM 0 HA VAL T 2 -7.185 3.089 5.489 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.349 2.809 6.949 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.791 0.693 8.079 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.408 1.282 8.532 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.242 -0.059 7.374 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -3.863 1.186 5.853 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.268 0.454 5.042 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -4.801 2.131 4.673 1.00 0.00 H new ATOM 26 N TYR T 3 -7.277 1.176 3.829 1.00 0.00 N ATOM 27 CA TYR T 3 -7.614 0.170 2.828 1.00 0.00 C ATOM 28 C TYR T 3 -6.692 0.277 1.617 1.00 0.00 C ATOM 29 O TYR T 3 -5.764 1.086 1.601 1.00 0.00 O ATOM 30 CB TYR T 3 -9.072 0.320 2.390 1.00 0.00 C ATOM 31 CG TYR T 3 -9.420 1.707 1.898 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.727 2.726 2.790 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.442 1.995 0.538 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.046 3.994 2.342 1.00 0.00 C ATOM 35 CE2 TYR T 3 -9.760 3.262 0.084 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.061 4.256 0.989 1.00 0.00 C ATOM 37 OH TYR T 3 -10.378 5.517 0.540 1.00 0.00 O ATOM 0 H TYR T 3 -6.783 1.988 3.460 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.479 -0.813 3.279 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.280 -0.399 1.598 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -9.722 0.068 3.228 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.716 2.524 3.851 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.207 1.218 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.282 4.776 3.049 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -9.772 3.471 -0.975 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.342 5.534 -0.439 1.00 0.00 H new ATOM 47 N HIS T 4 -6.952 -0.546 0.606 1.00 0.00 N ATOM 48 CA HIS T 4 -6.144 -0.546 -0.609 1.00 0.00 C ATOM 49 C HIS T 4 -6.847 0.208 -1.735 1.00 0.00 C ATOM 50 O HIS T 4 -8.064 0.389 -1.709 1.00 0.00 O ATOM 51 CB HIS T 4 -5.848 -1.983 -1.046 1.00 0.00 C ATOM 52 CG HIS T 4 -5.427 -2.103 -2.478 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.255 -2.585 -3.469 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.255 -1.799 -3.086 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.612 -2.574 -4.623 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.397 -2.101 -4.418 1.00 0.00 N ATOM 0 H HIS T 4 -7.716 -1.222 0.604 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.205 -0.037 -0.391 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.063 -2.392 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.737 -2.592 -0.886 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.215 -2.901 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.373 -1.394 -2.611 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -6.012 -2.897 -5.573 1.00 0.00 H new ATOM 65 N ARG T 5 -6.070 0.642 -2.722 1.00 0.00 N ATOM 66 CA ARG T 5 -6.613 1.374 -3.861 1.00 0.00 C ATOM 67 C ARG T 5 -5.739 1.184 -5.098 1.00 0.00 C ATOM 68 O ARG T 5 -4.524 1.022 -4.992 1.00 0.00 O ATOM 69 CB ARG T 5 -6.727 2.863 -3.528 1.00 0.00 C ATOM 70 CG ARG T 5 -8.122 3.290 -3.099 1.00 0.00 C ATOM 71 CD ARG T 5 -8.990 3.644 -4.295 1.00 0.00 C ATOM 72 NE ARG T 5 -10.240 4.282 -3.895 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.070 4.877 -4.747 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.782 4.912 -6.042 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.188 5.435 -4.306 1.00 0.00 N ATOM 0 H ARG T 5 -5.061 0.499 -2.756 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.606 0.978 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.023 3.103 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.431 3.445 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.592 2.486 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.051 4.150 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.439 4.311 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.210 2.740 -4.863 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.491 4.271 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -9.923 4.482 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.420 5.369 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -12.413 5.409 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -12.823 5.891 -4.961 1.00 0.00 H new ATOM 89 N GLU T 6 -6.367 1.206 -6.269 1.00 0.00 N ATOM 90 CA GLU T 6 -5.647 1.037 -7.527 1.00 0.00 C ATOM 91 C GLU T 6 -5.749 2.295 -8.385 1.00 0.00 C ATOM 92 O GLU T 6 -6.475 3.231 -8.050 1.00 0.00 O ATOM 93 CB GLU T 6 -6.194 -0.170 -8.295 1.00 0.00 C ATOM 94 CG GLU T 6 -5.674 -0.281 -9.719 1.00 0.00 C ATOM 95 CD GLU T 6 -6.157 -1.538 -10.417 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.956 -2.639 -9.863 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.735 -1.421 -11.519 1.00 0.00 O ATOM 0 H GLU T 6 -7.373 1.339 -6.374 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.596 0.863 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.937 -1.080 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.282 -0.110 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.993 0.592 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.584 -0.272 -9.706 1.00 0.00 H new ATOM 104 N ALA T 7 -5.018 2.305 -9.491 1.00 0.00 N ATOM 105 CA ALA T 7 -5.022 3.443 -10.403 1.00 0.00 C ATOM 106 C ALA T 7 -6.159 3.335 -11.412 1.00 0.00 C ATOM 107 O ALA T 7 -6.645 2.241 -11.699 1.00 0.00 O ATOM 108 CB ALA T 7 -3.684 3.547 -11.121 1.00 0.00 C ATOM 0 H ALA T 7 -4.413 1.536 -9.780 1.00 0.00 H new ATOM 0 HA ALA T 7 -5.179 4.348 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.700 4.400 -11.799 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.888 3.680 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.505 2.635 -11.690 1.00 0.00 H new ATOM 114 N ARG T 8 -6.576 4.477 -11.950 1.00 0.00 N ATOM 115 CA ARG T 8 -7.654 4.509 -12.931 1.00 0.00 C ATOM 116 C ARG T 8 -7.245 3.787 -14.210 1.00 0.00 C ATOM 117 O ARG T 8 -8.094 3.367 -14.996 1.00 0.00 O ATOM 118 CB ARG T 8 -8.040 5.955 -13.249 1.00 0.00 C ATOM 119 CG ARG T 8 -8.335 6.794 -12.015 1.00 0.00 C ATOM 120 CD ARG T 8 -9.811 7.140 -11.911 1.00 0.00 C ATOM 121 NE ARG T 8 -10.056 8.561 -12.134 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.113 9.034 -12.788 1.00 0.00 C ATOM 123 NH1 ARG T 8 -12.019 8.199 -13.280 1.00 0.00 N ATOM 124 NH2 ARG T 8 -11.265 10.341 -12.949 1.00 0.00 N ATOM 0 H ARG T 8 -6.184 5.391 -11.723 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.516 3.996 -12.504 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -7.231 6.423 -13.811 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.918 5.954 -13.895 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.025 6.250 -11.123 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.748 7.712 -12.050 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -10.373 6.556 -12.641 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -10.181 6.859 -10.925 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.378 9.229 -11.768 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -11.905 7.193 -13.157 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -12.829 8.563 -13.781 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.571 10.986 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -12.076 10.702 -13.451 1.00 0.00 H new ATOM 138 N SER T 9 -5.939 3.644 -14.409 1.00 0.00 N ATOM 139 CA SER T 9 -5.414 2.971 -15.591 1.00 0.00 C ATOM 140 C SER T 9 -5.159 1.493 -15.305 1.00 0.00 C ATOM 141 O SER T 9 -5.215 0.658 -16.207 1.00 0.00 O ATOM 142 CB SER T 9 -4.122 3.644 -16.055 1.00 0.00 C ATOM 143 OG SER T 9 -4.372 4.562 -17.104 1.00 0.00 O ATOM 0 H SER T 9 -5.224 3.986 -13.766 1.00 0.00 H new ATOM 0 HA SER T 9 -6.158 3.047 -16.384 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.658 4.163 -15.217 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.415 2.886 -16.392 1.00 0.00 H new ATOM 0 HG SER T 9 -3.530 4.980 -17.381 1.00 0.00 H new ATOM 149 N GLY T 10 -4.878 1.180 -14.045 1.00 0.00 N ATOM 150 CA GLY T 10 -4.619 -0.196 -13.662 1.00 0.00 C ATOM 151 C GLY T 10 -3.619 -0.300 -12.526 1.00 0.00 C ATOM 152 O GLY T 10 -2.964 0.681 -12.175 1.00 0.00 O ATOM 0 H GLY T 10 -4.825 1.854 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.554 -0.670 -13.364 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.244 -0.746 -14.525 1.00 0.00 H new ATOM 156 N LYS T 11 -3.504 -1.492 -11.952 1.00 0.00 N ATOM 157 CA LYS T 11 -2.578 -1.726 -10.850 1.00 0.00 C ATOM 158 C LYS T 11 -1.134 -1.523 -11.300 1.00 0.00 C ATOM 159 O LYS T 11 -0.850 -1.472 -12.497 1.00 0.00 O ATOM 160 CB LYS T 11 -2.758 -3.140 -10.296 1.00 0.00 C ATOM 161 CG LYS T 11 -1.956 -3.400 -9.030 1.00 0.00 C ATOM 162 CD LYS T 11 -2.325 -4.735 -8.403 1.00 0.00 C ATOM 163 CE LYS T 11 -1.347 -5.829 -8.800 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.393 -6.111 -10.262 1.00 0.00 N ATOM 0 H LYS T 11 -4.041 -2.313 -12.232 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.799 -1.005 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.815 -3.309 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.463 -3.861 -11.058 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.891 -3.388 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.134 -2.598 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.340 -4.636 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.332 -5.017 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.337 -5.532 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.577 -6.740 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.915 -7.014 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.384 -6.169 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -0.912 -5.347 -10.778 1.00 0.00 H new ATOM 178 N TYR T 12 -0.229 -1.408 -10.335 1.00 0.00 N ATOM 179 CA TYR T 12 1.185 -1.211 -10.633 1.00 0.00 C ATOM 180 C TYR T 12 1.374 -0.060 -11.615 1.00 0.00 C ATOM 181 O TYR T 12 2.147 -0.164 -12.568 1.00 0.00 O ATOM 182 CB TYR T 12 1.791 -2.494 -11.206 1.00 0.00 C ATOM 183 CG TYR T 12 1.927 -3.610 -10.192 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.661 -3.391 -8.846 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.322 -4.884 -10.584 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.784 -4.411 -7.920 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.446 -5.907 -9.664 1.00 0.00 C ATOM 188 CZ TYR T 12 2.177 -5.666 -8.334 1.00 0.00 C ATOM 189 OH TYR T 12 2.300 -6.682 -7.414 1.00 0.00 O ATOM 0 H TYR T 12 -0.449 -1.448 -9.340 1.00 0.00 H new ATOM 0 HA TYR T 12 1.698 -0.962 -9.704 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.171 -2.840 -12.033 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.774 -2.268 -11.618 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.353 -2.409 -8.518 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.535 -5.077 -11.625 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.573 -4.225 -6.877 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.752 -6.891 -9.986 1.00 0.00 H new ATOM 0 HH TYR T 12 1.445 -7.154 -7.332 1.00 0.00 H new ATOM 199 N LYS T 13 0.656 1.034 -11.381 1.00 0.00 N ATOM 200 CA LYS T 13 0.736 2.201 -12.244 1.00 0.00 C ATOM 201 C LYS T 13 0.748 3.486 -11.422 1.00 0.00 C ATOM 202 O LYS T 13 0.844 4.585 -11.969 1.00 0.00 O ATOM 203 CB LYS T 13 -0.448 2.213 -13.209 1.00 0.00 C ATOM 204 CG LYS T 13 -0.128 1.630 -14.575 1.00 0.00 C ATOM 205 CD LYS T 13 -0.896 2.339 -15.678 1.00 0.00 C ATOM 206 CE LYS T 13 -1.545 1.347 -16.630 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.969 1.991 -17.903 1.00 0.00 N ATOM 0 H LYS T 13 0.011 1.134 -10.597 1.00 0.00 H new ATOM 0 HA LYS T 13 1.666 2.147 -12.810 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.271 1.651 -12.768 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.794 3.239 -13.334 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.942 1.712 -14.765 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.373 0.568 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.662 2.977 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -0.220 2.989 -16.233 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -0.844 0.541 -16.847 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.411 0.894 -16.147 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -2.976 1.795 -18.073 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.823 3.019 -17.838 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -1.405 1.610 -18.689 1.00 0.00 H new ATOM 221 N LEU T 14 0.641 3.341 -10.104 1.00 0.00 N ATOM 222 CA LEU T 14 0.632 4.487 -9.205 1.00 0.00 C ATOM 223 C LEU T 14 1.983 4.668 -8.524 1.00 0.00 C ATOM 224 O LEU T 14 2.617 3.699 -8.108 1.00 0.00 O ATOM 225 CB LEU T 14 -0.456 4.313 -8.143 1.00 0.00 C ATOM 226 CG LEU T 14 -1.856 4.764 -8.563 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.915 4.013 -7.770 1.00 0.00 C ATOM 228 CD2 LEU T 14 -2.010 6.266 -8.376 1.00 0.00 C ATOM 0 H LEU T 14 0.559 2.438 -9.636 1.00 0.00 H new ATOM 0 HA LEU T 14 0.425 5.376 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.500 3.261 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.164 4.870 -7.253 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.992 4.535 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.906 4.345 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.817 2.943 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.782 4.212 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -3.012 6.570 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.856 6.520 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.272 6.786 -8.987 1.00 0.00 H new ATOM 240 N THR T 15 2.408 5.920 -8.402 1.00 0.00 N ATOM 241 CA THR T 15 3.674 6.242 -7.759 1.00 0.00 C ATOM 242 C THR T 15 3.423 6.941 -6.429 1.00 0.00 C ATOM 243 O THR T 15 2.404 7.604 -6.258 1.00 0.00 O ATOM 244 CB THR T 15 4.545 7.147 -8.648 1.00 0.00 C ATOM 245 OG1 THR T 15 4.157 8.517 -8.484 1.00 0.00 O ATOM 246 CG2 THR T 15 4.419 6.752 -10.112 1.00 0.00 C ATOM 0 H THR T 15 1.891 6.731 -8.742 1.00 0.00 H new ATOM 0 HA THR T 15 4.205 5.305 -7.593 1.00 0.00 H new ATOM 0 HB THR T 15 5.584 7.025 -8.343 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.717 9.086 -9.052 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.044 7.406 -10.720 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.743 5.719 -10.239 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.380 6.848 -10.426 1.00 0.00 H new ATOM 254 N TYR T 16 4.347 6.786 -5.488 1.00 0.00 N ATOM 255 CA TYR T 16 4.202 7.407 -4.175 1.00 0.00 C ATOM 256 C TYR T 16 3.494 8.755 -4.284 1.00 0.00 C ATOM 257 O TYR T 16 2.622 9.075 -3.478 1.00 0.00 O ATOM 258 CB TYR T 16 5.568 7.591 -3.513 1.00 0.00 C ATOM 259 CG TYR T 16 5.506 8.356 -2.211 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.989 7.769 -1.062 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.961 9.665 -2.133 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.930 8.468 0.130 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.904 10.370 -0.945 1.00 0.00 C ATOM 264 CZ TYR T 16 5.388 9.766 0.182 1.00 0.00 C ATOM 265 OH TYR T 16 5.329 10.465 1.367 1.00 0.00 O ATOM 0 H TYR T 16 5.200 6.239 -5.607 1.00 0.00 H new ATOM 0 HA TYR T 16 3.595 6.744 -3.558 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.009 6.611 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.230 8.115 -4.202 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.628 6.752 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.366 10.140 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.527 7.999 1.015 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.262 11.388 -0.900 1.00 0.00 H new ATOM 0 HH TYR T 16 6.198 10.420 1.817 1.00 0.00 H new ATOM 275 N ALA T 17 3.878 9.540 -5.286 1.00 0.00 N ATOM 276 CA ALA T 17 3.281 10.853 -5.499 1.00 0.00 C ATOM 277 C ALA T 17 1.841 10.732 -5.993 1.00 0.00 C ATOM 278 O ALA T 17 0.953 11.438 -5.516 1.00 0.00 O ATOM 279 CB ALA T 17 4.117 11.658 -6.482 1.00 0.00 C ATOM 0 H ALA T 17 4.599 9.290 -5.962 1.00 0.00 H new ATOM 0 HA ALA T 17 3.262 11.376 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.660 12.636 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.124 11.785 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.167 11.131 -7.435 1.00 0.00 H new ATOM 285 N GLU T 18 1.612 9.826 -6.941 1.00 0.00 N ATOM 286 CA GLU T 18 0.279 9.614 -7.482 1.00 0.00 C ATOM 287 C GLU T 18 -0.619 8.988 -6.424 1.00 0.00 C ATOM 288 O GLU T 18 -1.758 9.411 -6.225 1.00 0.00 O ATOM 289 CB GLU T 18 0.352 8.710 -8.711 1.00 0.00 C ATOM 290 CG GLU T 18 1.089 9.339 -9.883 1.00 0.00 C ATOM 291 CD GLU T 18 1.136 8.435 -11.098 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.405 7.227 -10.929 1.00 0.00 O ATOM 293 OE2 GLU T 18 0.902 8.934 -12.219 1.00 0.00 O ATOM 0 H GLU T 18 2.333 9.230 -7.347 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.141 10.576 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.848 7.778 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.660 8.453 -9.024 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.603 10.277 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.106 9.584 -9.578 1.00 0.00 H new ATOM 300 N ALA T 19 -0.085 7.982 -5.743 1.00 0.00 N ATOM 301 CA ALA T 19 -0.812 7.290 -4.691 1.00 0.00 C ATOM 302 C ALA T 19 -1.352 8.277 -3.664 1.00 0.00 C ATOM 303 O ALA T 19 -2.478 8.140 -3.185 1.00 0.00 O ATOM 304 CB ALA T 19 0.102 6.276 -4.022 1.00 0.00 C ATOM 0 H ALA T 19 0.857 7.626 -5.904 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.661 6.771 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.444 5.758 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.445 5.552 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.961 6.790 -3.591 1.00 0.00 H new ATOM 310 N LYS T 20 -0.539 9.276 -3.334 1.00 0.00 N ATOM 311 CA LYS T 20 -0.928 10.294 -2.368 1.00 0.00 C ATOM 312 C LYS T 20 -2.013 11.196 -2.943 1.00 0.00 C ATOM 313 O LYS T 20 -2.901 11.652 -2.224 1.00 0.00 O ATOM 314 CB LYS T 20 0.289 11.129 -1.967 1.00 0.00 C ATOM 315 CG LYS T 20 0.125 11.847 -0.638 1.00 0.00 C ATOM 316 CD LYS T 20 1.470 12.191 -0.019 1.00 0.00 C ATOM 317 CE LYS T 20 1.320 12.656 1.420 1.00 0.00 C ATOM 318 NZ LYS T 20 2.420 12.150 2.287 1.00 0.00 N ATOM 0 H LYS T 20 0.395 9.401 -3.723 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.326 9.796 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.163 10.480 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.486 11.865 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.453 12.760 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.442 11.218 0.048 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.121 11.318 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.952 12.972 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.307 13.746 1.449 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.362 12.315 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.280 12.490 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.417 11.110 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 3.332 12.496 1.928 1.00 0.00 H new ATOM 332 N ALA T 21 -1.936 11.449 -4.245 1.00 0.00 N ATOM 333 CA ALA T 21 -2.915 12.295 -4.916 1.00 0.00 C ATOM 334 C ALA T 21 -4.300 11.661 -4.880 1.00 0.00 C ATOM 335 O ALA T 21 -5.305 12.352 -4.723 1.00 0.00 O ATOM 336 CB ALA T 21 -2.490 12.558 -6.353 1.00 0.00 C ATOM 0 H ALA T 21 -1.207 11.081 -4.856 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.963 13.245 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.231 13.191 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.522 13.060 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.412 11.612 -6.888 1.00 0.00 H new ATOM 342 N VAL T 22 -4.344 10.342 -5.028 1.00 0.00 N ATOM 343 CA VAL T 22 -5.606 9.610 -5.014 1.00 0.00 C ATOM 344 C VAL T 22 -6.239 9.629 -3.628 1.00 0.00 C ATOM 345 O VAL T 22 -7.417 9.953 -3.477 1.00 0.00 O ATOM 346 CB VAL T 22 -5.412 8.148 -5.461 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.508 7.262 -4.889 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.378 8.053 -6.979 1.00 0.00 C ATOM 0 H VAL T 22 -3.519 9.756 -5.159 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.270 10.111 -5.718 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.455 7.795 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.353 6.234 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.479 7.304 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.479 7.612 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.240 7.013 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.317 8.426 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.552 8.652 -7.363 1.00 0.00 H new ATOM 358 N CYS T 23 -5.451 9.280 -2.620 1.00 0.00 N ATOM 359 CA CYS T 23 -5.933 9.260 -1.249 1.00 0.00 C ATOM 360 C CYS T 23 -6.299 10.668 -0.795 1.00 0.00 C ATOM 361 O CYS T 23 -7.412 10.912 -0.330 1.00 0.00 O ATOM 362 CB CYS T 23 -4.869 8.670 -0.324 1.00 0.00 C ATOM 363 SG CYS T 23 -4.579 6.889 -0.573 1.00 0.00 S ATOM 0 H CYS T 23 -4.474 9.007 -2.728 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.825 8.635 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.932 9.205 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.168 8.838 0.711 1.00 0.00 H new ATOM 368 N GLU T 24 -5.357 11.591 -0.945 1.00 0.00 N ATOM 369 CA GLU T 24 -5.582 12.979 -0.561 1.00 0.00 C ATOM 370 C GLU T 24 -6.686 13.594 -1.413 1.00 0.00 C ATOM 371 O GLU T 24 -7.301 14.590 -1.032 1.00 0.00 O ATOM 372 CB GLU T 24 -4.294 13.790 -0.710 1.00 0.00 C ATOM 373 CG GLU T 24 -4.073 14.795 0.408 1.00 0.00 C ATOM 374 CD GLU T 24 -2.616 14.905 0.815 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.807 15.397 0.001 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.284 14.498 1.948 1.00 0.00 O ATOM 0 H GLU T 24 -4.431 11.404 -1.329 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.891 13.000 0.484 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.446 13.106 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -4.316 14.319 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.432 15.773 0.088 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.667 14.505 1.275 1.00 0.00 H new ATOM 383 N PHE T 25 -6.931 12.989 -2.572 1.00 0.00 N ATOM 384 CA PHE T 25 -7.960 13.467 -3.488 1.00 0.00 C ATOM 385 C PHE T 25 -9.289 13.648 -2.764 1.00 0.00 C ATOM 386 O PHE T 25 -9.931 14.693 -2.873 1.00 0.00 O ATOM 387 CB PHE T 25 -8.128 12.485 -4.650 1.00 0.00 C ATOM 388 CG PHE T 25 -8.201 13.151 -5.992 1.00 0.00 C ATOM 389 CD1 PHE T 25 -7.066 13.695 -6.572 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.401 13.231 -6.678 1.00 0.00 C ATOM 391 CE1 PHE T 25 -7.126 14.306 -7.809 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.470 13.841 -7.916 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.330 14.380 -8.482 1.00 0.00 C ATOM 0 H PHE T 25 -6.428 12.164 -2.899 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.646 14.435 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.293 11.784 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -9.035 11.901 -4.493 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -6.122 13.640 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.295 12.811 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.233 14.725 -8.249 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.413 13.896 -8.440 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.381 14.858 -9.449 1.00 0.00 H new ATOM 403 N GLU T 26 -9.695 12.621 -2.028 1.00 0.00 N ATOM 404 CA GLU T 26 -10.949 12.658 -1.284 1.00 0.00 C ATOM 405 C GLU T 26 -10.687 12.824 0.208 1.00 0.00 C ATOM 406 O GLU T 26 -11.173 12.042 1.026 1.00 0.00 O ATOM 407 CB GLU T 26 -11.753 11.387 -1.542 1.00 0.00 C ATOM 408 CG GLU T 26 -11.842 11.021 -3.013 1.00 0.00 C ATOM 409 CD GLU T 26 -12.721 9.811 -3.263 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.235 8.676 -3.084 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.898 10.000 -3.638 1.00 0.00 O ATOM 0 H GLU T 26 -9.173 11.750 -1.930 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.527 13.516 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.298 10.561 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.760 11.515 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.234 11.871 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.841 10.823 -3.395 1.00 0.00 H new ATOM 418 N GLY T 27 -9.920 13.850 0.548 1.00 0.00 N ATOM 419 CA GLY T 27 -9.601 14.117 1.936 1.00 0.00 C ATOM 420 C GLY T 27 -9.080 12.886 2.652 1.00 0.00 C ATOM 421 O GLY T 27 -9.453 12.620 3.795 1.00 0.00 O ATOM 0 H GLY T 27 -9.511 14.506 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.854 14.909 1.989 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.491 14.483 2.448 1.00 0.00 H new ATOM 425 N GLY T 28 -8.215 12.132 1.980 1.00 0.00 N ATOM 426 CA GLY T 28 -7.656 10.934 2.578 1.00 0.00 C ATOM 427 C GLY T 28 -6.161 11.056 2.785 1.00 0.00 C ATOM 428 O GLY T 28 -5.524 11.959 2.241 1.00 0.00 O ATOM 0 H GLY T 28 -7.892 12.329 1.033 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.142 10.745 3.535 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.866 10.076 1.939 1.00 0.00 H new ATOM 432 N HIS T 29 -5.601 10.152 3.579 1.00 0.00 N ATOM 433 CA HIS T 29 -4.177 10.164 3.864 1.00 0.00 C ATOM 434 C HIS T 29 -3.555 8.794 3.633 1.00 0.00 C ATOM 435 O HIS T 29 -4.140 7.768 3.979 1.00 0.00 O ATOM 436 CB HIS T 29 -3.937 10.597 5.307 1.00 0.00 C ATOM 437 CG HIS T 29 -5.177 10.603 6.146 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.351 11.209 5.754 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.418 10.076 7.367 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.261 11.054 6.698 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.720 10.369 7.688 1.00 0.00 N ATOM 0 H HIS T 29 -6.116 9.400 4.037 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.706 10.874 3.184 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.205 9.929 5.761 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.502 11.596 5.310 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.716 9.526 7.977 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.275 11.424 6.666 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.193 10.101 8.551 1.00 0.00 H new ATOM 450 N LEU T 30 -2.362 8.788 3.052 1.00 0.00 N ATOM 451 CA LEU T 30 -1.651 7.551 2.779 1.00 0.00 C ATOM 452 C LEU T 30 -1.630 6.652 4.007 1.00 0.00 C ATOM 453 O LEU T 30 -1.622 7.131 5.141 1.00 0.00 O ATOM 454 CB LEU T 30 -0.220 7.859 2.341 1.00 0.00 C ATOM 455 CG LEU T 30 0.176 7.279 0.988 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.375 8.020 0.417 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.474 5.793 1.123 1.00 0.00 C ATOM 0 H LEU T 30 -1.867 9.631 2.761 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.173 7.028 1.978 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.090 8.941 2.308 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.466 7.479 3.098 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.657 7.404 0.297 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.642 7.591 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.125 9.073 0.289 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.219 7.928 1.101 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.756 5.389 0.151 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.293 5.649 1.827 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.413 5.276 1.488 1.00 0.00 H new ATOM 469 N ALA T 31 -1.610 5.345 3.773 1.00 0.00 N ATOM 470 CA ALA T 31 -1.577 4.380 4.860 1.00 0.00 C ATOM 471 C ALA T 31 -0.137 4.040 5.225 1.00 0.00 C ATOM 472 O ALA T 31 0.747 4.067 4.370 1.00 0.00 O ATOM 473 CB ALA T 31 -2.341 3.121 4.476 1.00 0.00 C ATOM 0 H ALA T 31 -1.616 4.932 2.841 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.059 4.823 5.732 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.307 2.409 5.300 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.378 3.377 4.260 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -1.886 2.675 3.592 1.00 0.00 H new ATOM 479 N THR T 32 0.097 3.723 6.492 1.00 0.00 N ATOM 480 CA THR T 32 1.438 3.381 6.953 1.00 0.00 C ATOM 481 C THR T 32 1.568 1.887 7.202 1.00 0.00 C ATOM 482 O THR T 32 0.640 1.121 6.948 1.00 0.00 O ATOM 483 CB THR T 32 1.800 4.123 8.251 1.00 0.00 C ATOM 484 OG1 THR T 32 0.944 3.694 9.316 1.00 0.00 O ATOM 485 CG2 THR T 32 1.681 5.627 8.067 1.00 0.00 C ATOM 0 H THR T 32 -0.620 3.695 7.217 1.00 0.00 H new ATOM 0 HA THR T 32 2.123 3.685 6.162 1.00 0.00 H new ATOM 0 HB THR T 32 2.834 3.887 8.502 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.424 3.759 10.168 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.942 6.129 8.998 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.359 5.952 7.277 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.657 5.880 7.793 1.00 0.00 H new ATOM 493 N TYR T 33 2.724 1.483 7.712 1.00 0.00 N ATOM 494 CA TYR T 33 2.974 0.080 8.013 1.00 0.00 C ATOM 495 C TYR T 33 2.083 -0.374 9.158 1.00 0.00 C ATOM 496 O TYR T 33 1.169 -1.176 8.973 1.00 0.00 O ATOM 497 CB TYR T 33 4.439 -0.137 8.388 1.00 0.00 C ATOM 498 CG TYR T 33 4.747 -1.527 8.900 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.626 -2.637 8.074 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.155 -1.728 10.213 1.00 0.00 C ATOM 501 CE1 TYR T 33 4.905 -3.906 8.540 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.435 -2.996 10.687 1.00 0.00 C ATOM 503 CZ TYR T 33 5.308 -4.082 9.846 1.00 0.00 C ATOM 504 OH TYR T 33 5.586 -5.346 10.313 1.00 0.00 O ATOM 0 H TYR T 33 3.503 2.106 7.926 1.00 0.00 H new ATOM 0 HA TYR T 33 2.748 -0.507 7.123 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.060 0.062 7.514 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.719 0.590 9.151 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.308 -2.505 7.050 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.255 -0.880 10.874 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.808 -4.758 7.883 1.00 0.00 H new ATOM 0 HE2 TYR T 33 5.751 -3.136 11.710 1.00 0.00 H new ATOM 0 HH TYR T 33 5.858 -5.295 11.253 1.00 0.00 H new ATOM 514 N LYS T 34 2.364 0.154 10.340 1.00 0.00 N ATOM 515 CA LYS T 34 1.600 -0.179 11.532 1.00 0.00 C ATOM 516 C LYS T 34 0.102 -0.079 11.265 1.00 0.00 C ATOM 517 O LYS T 34 -0.670 -0.939 11.686 1.00 0.00 O ATOM 518 CB LYS T 34 1.991 0.743 12.688 1.00 0.00 C ATOM 519 CG LYS T 34 3.372 0.469 13.261 1.00 0.00 C ATOM 520 CD LYS T 34 3.567 1.154 14.603 1.00 0.00 C ATOM 521 CE LYS T 34 5.022 1.115 15.043 1.00 0.00 C ATOM 522 NZ LYS T 34 5.153 0.901 16.511 1.00 0.00 N ATOM 0 H LYS T 34 3.121 0.819 10.499 1.00 0.00 H new ATOM 0 HA LYS T 34 1.831 -1.208 11.806 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.951 1.776 12.344 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.253 0.643 13.484 1.00 0.00 H new ATOM 0 HG2 LYS T 34 3.512 -0.606 13.377 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.132 0.816 12.561 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.234 2.190 14.536 1.00 0.00 H new ATOM 0 HD3 LYS T 34 2.945 0.667 15.355 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.540 0.317 14.512 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.510 2.050 14.768 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 6.160 0.881 16.770 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 4.680 1.676 17.018 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 4.710 -0.003 16.771 1.00 0.00 H new ATOM 536 N GLN T 35 -0.306 0.975 10.561 1.00 0.00 N ATOM 537 CA GLN T 35 -1.710 1.179 10.239 1.00 0.00 C ATOM 538 C GLN T 35 -2.223 0.064 9.336 1.00 0.00 C ATOM 539 O GLN T 35 -3.252 -0.555 9.613 1.00 0.00 O ATOM 540 CB GLN T 35 -1.901 2.534 9.562 1.00 0.00 C ATOM 541 CG GLN T 35 -1.612 3.713 10.476 1.00 0.00 C ATOM 542 CD GLN T 35 -1.757 5.048 9.773 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.816 5.113 8.545 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.815 6.122 10.550 1.00 0.00 N ATOM 0 H GLN T 35 0.318 1.699 10.204 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.283 1.161 11.166 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.249 2.591 8.691 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.926 2.609 9.198 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.290 3.681 11.329 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.600 3.623 10.870 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.762 6.022 11.564 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.912 7.048 10.134 1.00 0.00 H new ATOM 553 N LEU T 36 -1.487 -0.200 8.262 1.00 0.00 N ATOM 554 CA LEU T 36 -1.853 -1.245 7.330 1.00 0.00 C ATOM 555 C LEU T 36 -1.885 -2.584 8.050 1.00 0.00 C ATOM 556 O LEU T 36 -2.677 -3.468 7.723 1.00 0.00 O ATOM 557 CB LEU T 36 -0.845 -1.273 6.191 1.00 0.00 C ATOM 558 CG LEU T 36 -1.415 -1.624 4.815 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.002 -3.026 4.816 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.467 -0.605 4.408 1.00 0.00 C ATOM 0 H LEU T 36 -0.632 0.300 8.020 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.844 -1.049 6.921 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.367 -0.296 6.128 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.065 -1.994 6.437 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.603 -1.598 4.088 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.401 -3.254 3.828 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.224 -3.746 5.068 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.803 -3.085 5.553 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.865 -0.865 3.427 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.275 -0.604 5.139 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.016 0.386 4.365 1.00 0.00 H new ATOM 572 N GLU T 37 -1.021 -2.708 9.050 1.00 0.00 N ATOM 573 CA GLU T 37 -0.940 -3.918 9.854 1.00 0.00 C ATOM 574 C GLU T 37 -2.225 -4.114 10.639 1.00 0.00 C ATOM 575 O GLU T 37 -2.904 -5.132 10.508 1.00 0.00 O ATOM 576 CB GLU T 37 0.240 -3.826 10.820 1.00 0.00 C ATOM 577 CG GLU T 37 0.447 -5.084 11.641 1.00 0.00 C ATOM 578 CD GLU T 37 1.055 -4.802 13.001 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.499 -3.960 13.736 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.087 -5.424 13.330 1.00 0.00 O ATOM 0 H GLU T 37 -0.363 -1.979 9.324 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.796 -4.769 9.188 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.148 -3.617 10.254 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.084 -2.983 11.493 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.510 -5.588 11.773 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.095 -5.768 11.093 1.00 0.00 H new ATOM 587 N ALA T 38 -2.549 -3.122 11.455 1.00 0.00 N ATOM 588 CA ALA T 38 -3.753 -3.159 12.271 1.00 0.00 C ATOM 589 C ALA T 38 -4.975 -3.464 11.417 1.00 0.00 C ATOM 590 O ALA T 38 -5.980 -3.976 11.911 1.00 0.00 O ATOM 591 CB ALA T 38 -3.933 -1.842 13.011 1.00 0.00 C ATOM 0 H ALA T 38 -1.991 -2.276 11.570 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.645 -3.957 13.005 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.838 -1.886 13.617 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -3.072 -1.667 13.656 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -4.018 -1.028 12.291 1.00 0.00 H new ATOM 597 N ALA T 39 -4.876 -3.161 10.127 1.00 0.00 N ATOM 598 CA ALA T 39 -5.968 -3.419 9.196 1.00 0.00 C ATOM 599 C ALA T 39 -5.855 -4.832 8.650 1.00 0.00 C ATOM 600 O ALA T 39 -6.850 -5.481 8.337 1.00 0.00 O ATOM 601 CB ALA T 39 -5.950 -2.406 8.062 1.00 0.00 C ATOM 0 H ALA T 39 -4.051 -2.737 9.703 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.916 -3.320 9.725 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.772 -2.613 7.376 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -6.062 -1.401 8.470 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -5.003 -2.477 7.526 1.00 0.00 H new ATOM 607 N ARG T 40 -4.621 -5.298 8.557 1.00 0.00 N ATOM 608 CA ARG T 40 -4.326 -6.632 8.075 1.00 0.00 C ATOM 609 C ARG T 40 -4.770 -7.666 9.096 1.00 0.00 C ATOM 610 O ARG T 40 -5.195 -8.767 8.746 1.00 0.00 O ATOM 611 CB ARG T 40 -2.826 -6.751 7.833 1.00 0.00 C ATOM 612 CG ARG T 40 -2.339 -8.184 7.693 1.00 0.00 C ATOM 613 CD ARG T 40 -1.297 -8.528 8.744 1.00 0.00 C ATOM 614 NE ARG T 40 -1.025 -9.961 8.802 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.164 -10.514 9.648 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.506 -9.757 10.506 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.030 -11.827 9.638 1.00 0.00 N ATOM 0 H ARG T 40 -3.795 -4.758 8.815 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.864 -6.811 7.144 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.568 -6.200 6.929 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.295 -6.276 8.658 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.185 -8.866 7.782 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.915 -8.329 6.699 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.373 -7.993 8.526 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.641 -8.185 9.720 1.00 0.00 H new ATOM 0 HE ARG T 40 -1.525 -10.572 8.156 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.360 -8.747 10.517 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.167 -10.184 11.155 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -0.483 -12.413 8.979 1.00 0.00 H new ATOM 0 HH22 ARG T 40 0.692 -12.250 10.289 1.00 0.00 H new ATOM 631 N LYS T 41 -4.661 -7.297 10.367 1.00 0.00 N ATOM 632 CA LYS T 41 -5.043 -8.184 11.453 1.00 0.00 C ATOM 633 C LYS T 41 -6.548 -8.420 11.468 1.00 0.00 C ATOM 634 O LYS T 41 -7.027 -9.387 12.059 1.00 0.00 O ATOM 635 CB LYS T 41 -4.590 -7.608 12.794 1.00 0.00 C ATOM 636 CG LYS T 41 -3.116 -7.247 12.829 1.00 0.00 C ATOM 637 CD LYS T 41 -2.518 -7.477 14.207 1.00 0.00 C ATOM 638 CE LYS T 41 -1.145 -6.837 14.333 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.074 -7.855 14.514 1.00 0.00 N ATOM 0 H LYS T 41 -4.310 -6.388 10.668 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.549 -9.142 11.292 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.179 -6.719 13.017 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.798 -8.333 13.581 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.577 -7.844 12.093 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.990 -6.202 12.546 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -3.183 -7.066 14.966 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.440 -8.548 14.397 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.937 -6.245 13.442 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.140 -6.150 15.180 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 0.847 -7.379 14.596 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -0.259 -8.403 15.378 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.061 -8.495 13.694 1.00 0.00 H new ATOM 653 N ILE T 42 -7.289 -7.533 10.813 1.00 0.00 N ATOM 654 CA ILE T 42 -8.736 -7.650 10.752 1.00 0.00 C ATOM 655 C ILE T 42 -9.152 -8.494 9.554 1.00 0.00 C ATOM 656 O ILE T 42 -10.249 -9.051 9.522 1.00 0.00 O ATOM 657 CB ILE T 42 -9.395 -6.265 10.648 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.264 -5.733 9.222 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.756 -5.303 11.639 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.546 -5.150 8.669 1.00 0.00 C ATOM 0 H ILE T 42 -6.909 -6.726 10.318 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.069 -8.133 11.671 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.454 -6.355 10.891 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.488 -4.968 9.199 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.933 -6.542 8.571 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.231 -4.326 11.556 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.886 -5.684 12.652 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.692 -5.209 11.420 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.375 -4.793 7.653 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.320 -5.918 8.658 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.868 -4.319 9.296 1.00 0.00 H new ATOM 672 N GLY T 43 -8.261 -8.582 8.571 1.00 0.00 N ATOM 673 CA GLY T 43 -8.543 -9.358 7.380 1.00 0.00 C ATOM 674 C GLY T 43 -8.056 -8.671 6.120 1.00 0.00 C ATOM 675 O GLY T 43 -8.449 -9.046 5.015 1.00 0.00 O ATOM 0 H GLY T 43 -7.348 -8.128 8.580 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.069 -10.336 7.465 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.617 -9.530 7.306 1.00 0.00 H new ATOM 679 N PHE T 44 -7.196 -7.666 6.278 1.00 0.00 N ATOM 680 CA PHE T 44 -6.666 -6.944 5.131 1.00 0.00 C ATOM 681 C PHE T 44 -5.693 -7.819 4.346 1.00 0.00 C ATOM 682 O PHE T 44 -4.869 -8.525 4.930 1.00 0.00 O ATOM 683 CB PHE T 44 -5.964 -5.663 5.582 1.00 0.00 C ATOM 684 CG PHE T 44 -5.910 -4.599 4.520 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.413 -4.844 3.251 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.359 -3.355 4.789 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.368 -3.871 2.272 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.311 -2.378 3.810 1.00 0.00 C ATOM 689 CZ PHE T 44 -5.817 -2.637 2.552 1.00 0.00 C ATOM 0 H PHE T 44 -6.856 -7.338 7.182 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.501 -6.680 4.483 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.479 -5.265 6.457 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -4.948 -5.906 5.893 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -6.845 -5.808 3.026 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -4.963 -3.147 5.772 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -6.764 -4.076 1.288 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -4.878 -1.413 4.030 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.782 -1.875 1.788 1.00 0.00 H new ATOM 699 N HIS T 45 -5.793 -7.770 3.022 1.00 0.00 N ATOM 700 CA HIS T 45 -4.921 -8.561 2.162 1.00 0.00 C ATOM 701 C HIS T 45 -4.903 -8.004 0.742 1.00 0.00 C ATOM 702 O HIS T 45 -5.948 -7.863 0.107 1.00 0.00 O ATOM 703 CB HIS T 45 -5.382 -10.020 2.142 1.00 0.00 C ATOM 704 CG HIS T 45 -4.537 -10.918 1.290 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.454 -12.282 1.486 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.736 -10.645 0.231 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.642 -12.806 0.586 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.193 -11.834 -0.187 1.00 0.00 N ATOM 0 H HIS T 45 -6.468 -7.192 2.522 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.910 -8.509 2.565 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.385 -10.403 3.163 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.411 -10.060 1.784 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.558 -9.672 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -3.388 -13.852 0.497 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.547 -11.948 -0.968 1.00 0.00 H new ATOM 717 N VAL T 46 -3.708 -7.697 0.247 1.00 0.00 N ATOM 718 CA VAL T 46 -3.558 -7.165 -1.103 1.00 0.00 C ATOM 719 C VAL T 46 -2.252 -7.634 -1.739 1.00 0.00 C ATOM 720 O VAL T 46 -1.177 -7.131 -1.412 1.00 0.00 O ATOM 721 CB VAL T 46 -3.594 -5.623 -1.120 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.359 -5.123 -2.334 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.208 -5.077 0.160 1.00 0.00 C ATOM 0 H VAL T 46 -2.832 -7.807 0.758 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.402 -7.544 -1.679 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.568 -5.261 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.375 -4.033 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -3.871 -5.476 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.381 -5.501 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.221 -3.988 0.121 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.228 -5.449 0.262 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.616 -5.403 1.015 1.00 0.00 H new ATOM 733 N CYS T 47 -2.355 -8.598 -2.650 1.00 0.00 N ATOM 734 CA CYS T 47 -1.182 -9.132 -3.335 1.00 0.00 C ATOM 735 C CYS T 47 -0.638 -8.124 -4.344 1.00 0.00 C ATOM 736 O CYS T 47 -0.784 -8.301 -5.554 1.00 0.00 O ATOM 737 CB CYS T 47 -1.530 -10.443 -4.042 1.00 0.00 C ATOM 738 SG CYS T 47 -0.249 -11.731 -3.891 1.00 0.00 S ATOM 0 H CYS T 47 -3.238 -9.025 -2.931 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.412 -9.325 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.465 -10.826 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.703 -10.239 -5.099 1.00 0.00 H new ATOM 0 HG CYS T 47 -0.635 -12.802 -4.519 1.00 0.00 H new ATOM 743 N ALA T 48 -0.013 -7.068 -3.834 1.00 0.00 N ATOM 744 CA ALA T 48 0.554 -6.026 -4.682 1.00 0.00 C ATOM 745 C ALA T 48 1.236 -4.956 -3.840 1.00 0.00 C ATOM 746 O ALA T 48 0.724 -4.556 -2.794 1.00 0.00 O ATOM 747 CB ALA T 48 -0.530 -5.405 -5.550 1.00 0.00 C ATOM 0 H ALA T 48 0.114 -6.911 -2.834 1.00 0.00 H new ATOM 0 HA ALA T 48 1.304 -6.481 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.093 -4.629 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -0.976 -6.174 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.299 -4.967 -4.914 1.00 0.00 H new ATOM 753 N ALA T 49 2.391 -4.492 -4.302 1.00 0.00 N ATOM 754 CA ALA T 49 3.139 -3.465 -3.589 1.00 0.00 C ATOM 755 C ALA T 49 2.282 -2.225 -3.366 1.00 0.00 C ATOM 756 O ALA T 49 1.864 -1.570 -4.319 1.00 0.00 O ATOM 757 CB ALA T 49 4.402 -3.105 -4.357 1.00 0.00 C ATOM 0 H ALA T 49 2.829 -4.811 -5.166 1.00 0.00 H new ATOM 0 HA ALA T 49 3.421 -3.862 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.952 -2.337 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.027 -3.991 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.133 -2.729 -5.344 1.00 0.00 H new ATOM 763 N GLY T 50 2.022 -1.907 -2.103 1.00 0.00 N ATOM 764 CA GLY T 50 1.213 -0.746 -1.787 1.00 0.00 C ATOM 765 C GLY T 50 1.999 0.341 -1.084 1.00 0.00 C ATOM 766 O GLY T 50 2.573 0.113 -0.020 1.00 0.00 O ATOM 0 H GLY T 50 2.356 -2.431 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.787 -0.344 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.378 -1.051 -1.156 1.00 0.00 H new ATOM 770 N TRP T 51 2.031 1.525 -1.685 1.00 0.00 N ATOM 771 CA TRP T 51 2.757 2.654 -1.117 1.00 0.00 C ATOM 772 C TRP T 51 2.307 2.947 0.309 1.00 0.00 C ATOM 773 O TRP T 51 1.132 2.806 0.644 1.00 0.00 O ATOM 774 CB TRP T 51 2.570 3.894 -1.988 1.00 0.00 C ATOM 775 CG TRP T 51 3.447 3.892 -3.197 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.068 3.646 -4.483 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.855 4.138 -3.228 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.160 3.725 -5.318 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.269 4.028 -4.569 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.807 4.444 -2.251 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.595 4.211 -4.955 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.121 4.626 -2.635 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.505 4.509 -3.977 1.00 0.00 C ATOM 0 H TRP T 51 1.561 1.728 -2.567 1.00 0.00 H new ATOM 0 HA TRP T 51 3.814 2.389 -1.089 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.528 3.958 -2.301 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.780 4.784 -1.394 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.060 3.422 -4.800 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.147 3.582 -6.328 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.520 4.536 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.894 4.121 -5.989 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.865 4.862 -1.888 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.541 4.657 -4.246 1.00 0.00 H new ATOM 794 N MET T 52 3.257 3.360 1.141 1.00 0.00 N ATOM 795 CA MET T 52 2.974 3.683 2.533 1.00 0.00 C ATOM 796 C MET T 52 4.108 4.503 3.136 1.00 0.00 C ATOM 797 O MET T 52 5.128 4.740 2.488 1.00 0.00 O ATOM 798 CB MET T 52 2.765 2.402 3.348 1.00 0.00 C ATOM 799 CG MET T 52 3.318 1.152 2.683 1.00 0.00 C ATOM 800 SD MET T 52 3.872 -0.084 3.875 1.00 0.00 S ATOM 801 CE MET T 52 2.765 -1.440 3.497 1.00 0.00 C ATOM 0 H MET T 52 4.234 3.479 0.873 1.00 0.00 H new ATOM 0 HA MET T 52 2.059 4.275 2.565 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.237 2.522 4.323 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.698 2.266 3.525 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.550 0.716 2.044 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.152 1.428 2.037 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.190 -1.699 4.386 1.00 0.00 H new ATOM 0 HE2 MET T 52 2.085 -1.143 2.699 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.345 -2.305 3.175 1.00 0.00 H new ATOM 811 N ALA T 53 3.928 4.929 4.382 1.00 0.00 N ATOM 812 CA ALA T 53 4.938 5.717 5.074 1.00 0.00 C ATOM 813 C ALA T 53 5.374 6.920 4.247 1.00 0.00 C ATOM 814 O ALA T 53 4.714 7.297 3.278 1.00 0.00 O ATOM 815 CB ALA T 53 6.133 4.844 5.414 1.00 0.00 C ATOM 0 H ALA T 53 3.090 4.741 4.933 1.00 0.00 H new ATOM 0 HA ALA T 53 4.497 6.096 5.996 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.884 5.441 5.931 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.814 4.025 6.058 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.560 4.439 4.497 1.00 0.00 H new ATOM 821 N LYS T 54 6.487 7.524 4.646 1.00 0.00 N ATOM 822 CA LYS T 54 7.021 8.694 3.958 1.00 0.00 C ATOM 823 C LYS T 54 7.466 8.355 2.537 1.00 0.00 C ATOM 824 O LYS T 54 7.832 9.244 1.768 1.00 0.00 O ATOM 825 CB LYS T 54 8.198 9.277 4.743 1.00 0.00 C ATOM 826 CG LYS T 54 7.974 10.705 5.214 1.00 0.00 C ATOM 827 CD LYS T 54 7.939 10.799 6.731 1.00 0.00 C ATOM 828 CE LYS T 54 6.998 11.898 7.197 1.00 0.00 C ATOM 829 NZ LYS T 54 6.168 11.469 8.356 1.00 0.00 N ATOM 0 H LYS T 54 7.040 7.221 5.447 1.00 0.00 H new ATOM 0 HA LYS T 54 6.223 9.433 3.896 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.394 8.645 5.609 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.090 9.246 4.118 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.768 11.344 4.828 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.036 11.080 4.805 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.621 9.844 7.149 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.943 10.993 7.108 1.00 0.00 H new ATOM 0 HE2 LYS T 54 7.578 12.779 7.473 1.00 0.00 H new ATOM 0 HE3 LYS T 54 6.347 12.191 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 5.541 12.248 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 5.595 10.644 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 6.788 11.214 9.151 1.00 0.00 H new ATOM 843 N GLY T 55 7.433 7.072 2.190 1.00 0.00 N ATOM 844 CA GLY T 55 7.837 6.661 0.859 1.00 0.00 C ATOM 845 C GLY T 55 8.214 5.194 0.809 1.00 0.00 C ATOM 846 O GLY T 55 8.859 4.746 -0.138 1.00 0.00 O ATOM 0 H GLY T 55 7.135 6.314 2.804 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.024 6.851 0.158 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.685 7.265 0.535 1.00 0.00 H new ATOM 850 N ARG T 56 7.811 4.442 1.828 1.00 0.00 N ATOM 851 CA ARG T 56 8.112 3.017 1.886 1.00 0.00 C ATOM 852 C ARG T 56 6.966 2.199 1.298 1.00 0.00 C ATOM 853 O ARG T 56 5.804 2.396 1.649 1.00 0.00 O ATOM 854 CB ARG T 56 8.385 2.588 3.331 1.00 0.00 C ATOM 855 CG ARG T 56 7.176 1.993 4.034 1.00 0.00 C ATOM 856 CD ARG T 56 7.556 1.400 5.380 1.00 0.00 C ATOM 857 NE ARG T 56 7.848 2.432 6.372 1.00 0.00 N ATOM 858 CZ ARG T 56 7.939 2.196 7.677 1.00 0.00 C ATOM 859 NH1 ARG T 56 7.762 0.967 8.145 1.00 0.00 N ATOM 860 NH2 ARG T 56 8.206 3.188 8.516 1.00 0.00 N ATOM 0 H ARG T 56 7.277 4.795 2.622 1.00 0.00 H new ATOM 0 HA ARG T 56 9.006 2.832 1.291 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.193 1.856 3.336 1.00 0.00 H new ATOM 0 HB3 ARG T 56 8.734 3.452 3.897 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.419 2.764 4.175 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.732 1.221 3.406 1.00 0.00 H new ATOM 0 HD2 ARG T 56 6.743 0.770 5.741 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.428 0.757 5.259 1.00 0.00 H new ATOM 0 HE ARG T 56 7.990 3.388 6.045 1.00 0.00 H new ATOM 0 HH11 ARG T 56 7.556 0.202 7.503 1.00 0.00 H new ATOM 0 HH12 ARG T 56 7.832 0.788 9.147 1.00 0.00 H new ATOM 0 HH21 ARG T 56 8.342 4.134 8.160 1.00 0.00 H new ATOM 0 HH22 ARG T 56 8.275 3.005 9.517 1.00 0.00 H new ATOM 874 N VAL T 57 7.303 1.283 0.397 1.00 0.00 N ATOM 875 CA VAL T 57 6.302 0.438 -0.243 1.00 0.00 C ATOM 876 C VAL T 57 6.542 -1.034 0.081 1.00 0.00 C ATOM 877 O VAL T 57 7.608 -1.578 -0.208 1.00 0.00 O ATOM 878 CB VAL T 57 6.297 0.632 -1.775 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.620 1.217 -2.243 1.00 0.00 C ATOM 880 CG2 VAL T 57 6.004 -0.680 -2.486 1.00 0.00 C ATOM 0 H VAL T 57 8.261 1.107 0.094 1.00 0.00 H new ATOM 0 HA VAL T 57 5.331 0.738 0.151 1.00 0.00 H new ATOM 0 HB VAL T 57 5.504 1.335 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.598 1.347 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.780 2.183 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.432 0.541 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL T 57 6.006 -0.518 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.769 -1.412 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL T 57 5.027 -1.051 -2.177 1.00 0.00 H new ATOM 890 N GLY T 58 5.545 -1.672 0.687 1.00 0.00 N ATOM 891 CA GLY T 58 5.668 -3.074 1.044 1.00 0.00 C ATOM 892 C GLY T 58 4.581 -3.925 0.416 1.00 0.00 C ATOM 893 O GLY T 58 3.849 -3.462 -0.458 1.00 0.00 O ATOM 0 H GLY T 58 4.654 -1.243 0.937 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.644 -3.443 0.728 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.625 -3.176 2.128 1.00 0.00 H new ATOM 897 N TYR T 59 4.476 -5.175 0.861 1.00 0.00 N ATOM 898 CA TYR T 59 3.469 -6.089 0.333 1.00 0.00 C ATOM 899 C TYR T 59 2.926 -7.002 1.429 1.00 0.00 C ATOM 900 O TYR T 59 3.488 -8.063 1.701 1.00 0.00 O ATOM 901 CB TYR T 59 4.051 -6.936 -0.803 1.00 0.00 C ATOM 902 CG TYR T 59 5.407 -6.461 -1.277 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.522 -5.385 -2.147 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.571 -7.091 -0.857 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.759 -4.949 -2.584 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.812 -6.661 -1.290 1.00 0.00 C ATOM 907 CZ TYR T 59 7.900 -5.590 -2.152 1.00 0.00 C ATOM 908 OH TYR T 59 9.132 -5.159 -2.585 1.00 0.00 O ATOM 0 H TYR T 59 5.074 -5.576 1.583 1.00 0.00 H new ATOM 0 HA TYR T 59 2.648 -5.486 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.134 -7.970 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.358 -6.927 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.630 -4.880 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.506 -7.931 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.831 -4.110 -3.261 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.708 -7.162 -0.954 1.00 0.00 H new ATOM 0 HH TYR T 59 9.832 -5.717 -2.187 1.00 0.00 H new ATOM 918 N PRO T 60 1.818 -6.599 2.071 1.00 0.00 N ATOM 919 CA PRO T 60 1.193 -7.381 3.137 1.00 0.00 C ATOM 920 C PRO T 60 0.317 -8.504 2.592 1.00 0.00 C ATOM 921 O PRO T 60 -0.519 -8.282 1.717 1.00 0.00 O ATOM 922 CB PRO T 60 0.344 -6.345 3.865 1.00 0.00 C ATOM 923 CG PRO T 60 -0.017 -5.335 2.829 1.00 0.00 C ATOM 924 CD PRO T 60 1.087 -5.346 1.800 1.00 0.00 C ATOM 0 HA PRO T 60 1.926 -7.879 3.771 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.547 -6.800 4.298 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.898 -5.887 4.684 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.975 -5.579 2.370 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.120 -4.345 3.274 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.687 -5.329 0.786 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.736 -4.476 1.902 1.00 0.00 H new ATOM 932 N ILE T 61 0.516 -9.711 3.113 1.00 0.00 N ATOM 933 CA ILE T 61 -0.254 -10.868 2.675 1.00 0.00 C ATOM 934 C ILE T 61 -0.564 -11.799 3.844 1.00 0.00 C ATOM 935 O ILE T 61 0.320 -12.487 4.352 1.00 0.00 O ATOM 936 CB ILE T 61 0.496 -11.663 1.590 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.830 -10.760 0.400 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.331 -12.858 1.138 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.378 -10.372 -0.425 1.00 0.00 C ATOM 0 H ILE T 61 1.204 -9.912 3.839 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.187 -10.487 2.259 1.00 0.00 H new ATOM 0 HB ILE T 61 1.429 -12.032 2.015 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.315 -9.855 0.766 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.549 -11.270 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.214 -13.409 0.371 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.520 -13.512 1.989 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.280 -12.510 0.730 1.00 0.00 H new ATOM 0 HD11 ILE T 61 -0.065 -9.732 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.851 -11.270 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -1.089 -9.834 0.202 1.00 0.00 H new ATOM 951 N VAL T 62 -1.825 -11.817 4.264 1.00 0.00 N ATOM 952 CA VAL T 62 -2.248 -12.669 5.370 1.00 0.00 C ATOM 953 C VAL T 62 -2.171 -14.141 4.983 1.00 0.00 C ATOM 954 O VAL T 62 -1.768 -14.984 5.784 1.00 0.00 O ATOM 955 CB VAL T 62 -3.686 -12.344 5.817 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.707 -11.101 6.694 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.595 -12.173 4.611 1.00 0.00 C ATOM 0 H VAL T 62 -2.570 -11.253 3.856 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.567 -12.473 6.199 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.060 -13.180 6.407 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.732 -10.888 6.999 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.092 -11.269 7.578 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.312 -10.254 6.134 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.606 -11.944 4.947 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.226 -11.357 3.990 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.606 -13.095 4.030 1.00 0.00 H new ATOM 1104 N THR T 73 5.179 -13.982 4.762 1.00 0.00 N ATOM 1105 CA THR T 73 4.352 -13.733 5.934 1.00 0.00 C ATOM 1106 C THR T 73 4.567 -12.322 6.470 1.00 0.00 C ATOM 1107 O THR T 73 5.702 -11.885 6.659 1.00 0.00 O ATOM 1108 CB THR T 73 4.652 -14.745 7.051 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.953 -15.315 6.862 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.608 -15.851 7.075 1.00 0.00 C ATOM 0 HA THR T 73 3.314 -13.843 5.620 1.00 0.00 H new ATOM 0 HB THR T 73 4.622 -14.217 8.004 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.265 -15.123 5.953 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.842 -16.555 7.874 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.623 -15.418 7.250 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.610 -16.374 6.119 1.00 0.00 H new ATOM 1118 N GLY T 74 3.469 -11.613 6.716 1.00 0.00 N ATOM 1119 CA GLY T 74 3.558 -10.259 7.230 1.00 0.00 C ATOM 1120 C GLY T 74 3.782 -9.246 6.124 1.00 0.00 C ATOM 1121 O GLY T 74 3.880 -9.609 4.953 1.00 0.00 O ATOM 0 H GLY T 74 2.519 -11.953 6.568 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.641 -10.014 7.766 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.375 -10.197 7.949 1.00 0.00 H new ATOM 1125 N ILE T 75 3.864 -7.972 6.496 1.00 0.00 N ATOM 1126 CA ILE T 75 4.078 -6.907 5.523 1.00 0.00 C ATOM 1127 C ILE T 75 5.522 -6.891 5.038 1.00 0.00 C ATOM 1128 O ILE T 75 6.404 -6.341 5.699 1.00 0.00 O ATOM 1129 CB ILE T 75 3.735 -5.525 6.110 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.438 -5.598 6.922 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.632 -4.492 4.998 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.422 -4.537 6.560 1.00 0.00 C ATOM 0 H ILE T 75 3.786 -7.653 7.462 1.00 0.00 H new ATOM 0 HA ILE T 75 3.413 -7.111 4.684 1.00 0.00 H new ATOM 0 HB ILE T 75 4.535 -5.217 6.783 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.988 -6.580 6.780 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.679 -5.508 7.981 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.389 -3.519 5.426 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.584 -4.429 4.471 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.849 -4.787 4.299 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.533 -4.658 7.179 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.851 -3.549 6.730 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.149 -4.638 5.510 1.00 0.00 H new ATOM 1144 N ILE T 76 5.757 -7.495 3.881 1.00 0.00 N ATOM 1145 CA ILE T 76 7.094 -7.549 3.306 1.00 0.00 C ATOM 1146 C ILE T 76 7.534 -6.171 2.820 1.00 0.00 C ATOM 1147 O ILE T 76 7.369 -5.831 1.649 1.00 0.00 O ATOM 1148 CB ILE T 76 7.161 -8.544 2.131 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.358 -9.805 2.457 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.607 -8.896 1.817 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.755 -10.459 3.763 1.00 0.00 C ATOM 0 H ILE T 76 5.038 -7.955 3.322 1.00 0.00 H new ATOM 0 HA ILE T 76 7.767 -7.887 4.094 1.00 0.00 H new ATOM 0 HB ILE T 76 6.723 -8.074 1.250 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.299 -9.551 2.496 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.484 -10.524 1.648 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.638 -9.600 0.985 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.151 -7.991 1.547 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.069 -9.350 2.693 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.143 -11.346 3.927 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.806 -10.746 3.722 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.602 -9.757 4.583 1.00 0.00 H new ATOM 1163 N ASP T 77 8.091 -5.381 3.732 1.00 0.00 N ATOM 1164 CA ASP T 77 8.554 -4.038 3.402 1.00 0.00 C ATOM 1165 C ASP T 77 10.062 -3.919 3.595 1.00 0.00 C ATOM 1166 O ASP T 77 10.607 -4.370 4.603 1.00 0.00 O ATOM 1167 CB ASP T 77 7.833 -3.002 4.266 1.00 0.00 C ATOM 1168 CG ASP T 77 8.611 -1.705 4.389 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.532 -0.876 3.459 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.296 -1.519 5.416 1.00 0.00 O ATOM 0 H ASP T 77 8.233 -5.648 4.706 1.00 0.00 H new ATOM 0 HA ASP T 77 8.325 -3.849 2.353 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.853 -2.795 3.837 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.665 -3.417 5.260 1.00 0.00 H new ATOM 1175 N TYR T 78 10.731 -3.311 2.620 1.00 0.00 N ATOM 1176 CA TYR T 78 12.176 -3.132 2.682 1.00 0.00 C ATOM 1177 C TYR T 78 12.534 -1.659 2.849 1.00 0.00 C ATOM 1178 O TYR T 78 13.646 -1.239 2.526 1.00 0.00 O ATOM 1179 CB TYR T 78 12.834 -3.688 1.417 1.00 0.00 C ATOM 1180 CG TYR T 78 12.415 -5.103 1.085 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.104 -5.394 0.729 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.331 -6.147 1.128 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.717 -6.685 0.427 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.952 -7.441 0.826 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.644 -7.705 0.476 1.00 0.00 C ATOM 1186 OH TYR T 78 11.262 -8.992 0.175 1.00 0.00 O ATOM 0 H TYR T 78 10.295 -2.934 1.778 1.00 0.00 H new ATOM 0 HA TYR T 78 12.549 -3.679 3.548 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.589 -3.039 0.576 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.917 -3.658 1.538 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.376 -4.598 0.688 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.356 -5.944 1.402 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.693 -6.895 0.154 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.676 -8.242 0.864 1.00 0.00 H new ATOM 0 HH TYR T 78 12.034 -9.590 0.256 1.00 0.00 H new ATOM 1196 N GLY T 79 11.584 -0.879 3.354 1.00 0.00 N ATOM 1197 CA GLY T 79 11.817 0.539 3.554 1.00 0.00 C ATOM 1198 C GLY T 79 11.919 1.267 2.229 1.00 0.00 C ATOM 1199 O GLY T 79 11.972 0.639 1.171 1.00 0.00 O ATOM 0 H GLY T 79 10.657 -1.204 3.628 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.006 0.964 4.145 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.735 0.683 4.123 1.00 0.00 H new ATOM 1203 N ILE T 80 11.944 2.595 2.285 1.00 0.00 N ATOM 1204 CA ILE T 80 12.038 3.410 1.084 1.00 0.00 C ATOM 1205 C ILE T 80 13.233 3.006 0.229 1.00 0.00 C ATOM 1206 O ILE T 80 14.229 2.489 0.737 1.00 0.00 O ATOM 1207 CB ILE T 80 12.154 4.899 1.441 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.137 5.257 2.522 1.00 0.00 C ATOM 1209 CG2 ILE T 80 11.956 5.762 0.203 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.053 6.737 2.819 1.00 0.00 C ATOM 0 H ILE T 80 11.900 3.129 3.153 1.00 0.00 H new ATOM 0 HA ILE T 80 11.125 3.244 0.513 1.00 0.00 H new ATOM 0 HB ILE T 80 13.154 5.092 1.829 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.154 4.902 2.214 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.394 4.727 3.439 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.042 6.814 0.475 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.717 5.516 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE T 80 10.967 5.575 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.309 6.910 3.597 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.024 7.095 3.159 1.00 0.00 H new ATOM 0 HD13 ILE T 80 10.765 7.274 1.915 1.00 0.00 H new ATOM 1222 N ARG T 81 13.123 3.247 -1.071 1.00 0.00 N ATOM 1223 CA ARG T 81 14.190 2.912 -2.007 1.00 0.00 C ATOM 1224 C ARG T 81 14.513 4.096 -2.913 1.00 0.00 C ATOM 1225 O ARG T 81 15.157 3.939 -3.950 1.00 0.00 O ATOM 1226 CB ARG T 81 13.793 1.701 -2.852 1.00 0.00 C ATOM 1227 CG ARG T 81 13.094 0.609 -2.060 1.00 0.00 C ATOM 1228 CD ARG T 81 13.962 -0.633 -1.938 1.00 0.00 C ATOM 1229 NE ARG T 81 14.223 -1.247 -3.237 1.00 0.00 N ATOM 1230 CZ ARG T 81 15.426 -1.647 -3.634 1.00 0.00 C ATOM 1231 NH1 ARG T 81 16.474 -1.497 -2.835 1.00 0.00 N ATOM 1232 NH2 ARG T 81 15.583 -2.198 -4.829 1.00 0.00 N ATOM 0 H ARG T 81 12.304 3.674 -1.503 1.00 0.00 H new ATOM 0 HA ARG T 81 15.082 2.667 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.137 2.030 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.686 1.285 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.847 0.981 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.153 0.351 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.908 -0.369 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.471 -1.356 -1.287 1.00 0.00 H new ATOM 0 HE ARG T 81 13.438 -1.376 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.357 -1.074 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG T 81 17.397 -1.805 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG T 81 14.779 -2.316 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG T 81 16.508 -2.504 -5.132 1.00 0.00 H new ATOM 1246 N LEU T 82 14.059 5.281 -2.514 1.00 0.00 N ATOM 1247 CA LEU T 82 14.299 6.493 -3.290 1.00 0.00 C ATOM 1248 C LEU T 82 13.780 6.339 -4.715 1.00 0.00 C ATOM 1249 O LEU T 82 14.284 6.973 -5.642 1.00 0.00 O ATOM 1250 CB LEU T 82 15.795 6.820 -3.312 1.00 0.00 C ATOM 1251 CG LEU T 82 16.303 7.673 -2.147 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.583 9.012 -2.111 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.127 6.935 -0.829 1.00 0.00 C ATOM 0 H LEU T 82 13.523 5.427 -1.658 1.00 0.00 H new ATOM 0 HA LEU T 82 13.761 7.312 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.353 5.884 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.022 7.338 -4.244 1.00 0.00 H new ATOM 0 HG LEU T 82 17.366 7.860 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU T 82 15.958 9.604 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU T 82 15.762 9.546 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.513 8.846 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.494 7.557 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.071 6.716 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.690 6.002 -0.856 1.00 0.00 H new ATOM 1265 N ASN T 83 12.769 5.491 -4.883 1.00 0.00 N ATOM 1266 CA ASN T 83 12.183 5.253 -6.197 1.00 0.00 C ATOM 1267 C ASN T 83 10.698 5.599 -6.205 1.00 0.00 C ATOM 1268 O ASN T 83 9.856 4.756 -6.514 1.00 0.00 O ATOM 1269 CB ASN T 83 12.378 3.793 -6.609 1.00 0.00 C ATOM 1270 CG ASN T 83 13.405 3.637 -7.714 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.426 2.973 -7.538 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.138 4.252 -8.860 1.00 0.00 N ATOM 0 H ASN T 83 12.340 4.958 -4.126 1.00 0.00 H new ATOM 0 HA ASN T 83 12.691 5.898 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN T 83 12.691 3.212 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.425 3.382 -6.942 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.792 4.184 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.279 4.792 -8.961 1.00 0.00 H new ATOM 1279 N ARG T 84 10.382 6.846 -5.868 1.00 0.00 N ATOM 1280 CA ARG T 84 9.001 7.302 -5.841 1.00 0.00 C ATOM 1281 C ARG T 84 8.408 7.317 -7.245 1.00 0.00 C ATOM 1282 O ARG T 84 7.235 7.642 -7.432 1.00 0.00 O ATOM 1283 CB ARG T 84 8.925 8.698 -5.226 1.00 0.00 C ATOM 1284 CG ARG T 84 9.317 8.740 -3.759 1.00 0.00 C ATOM 1285 CD ARG T 84 9.247 10.150 -3.198 1.00 0.00 C ATOM 1286 NE ARG T 84 10.564 10.660 -2.830 1.00 0.00 N ATOM 1287 CZ ARG T 84 10.879 11.952 -2.828 1.00 0.00 C ATOM 1288 NH1 ARG T 84 9.974 12.858 -3.174 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.098 12.340 -2.480 1.00 0.00 N ATOM 0 H ARG T 84 11.066 7.557 -5.610 1.00 0.00 H new ATOM 0 HA ARG T 84 8.421 6.609 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.576 9.368 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.909 9.078 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.657 8.088 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.329 8.352 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG T 84 8.796 10.812 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG T 84 8.597 10.160 -2.323 1.00 0.00 H new ATOM 0 HE ARG T 84 11.282 9.988 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG T 84 9.035 12.564 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG T 84 10.217 13.849 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.797 11.647 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG T 84 12.337 13.332 -2.479 1.00 0.00 H new ATOM 1303 N SER T 85 9.226 6.960 -8.230 1.00 0.00 N ATOM 1304 CA SER T 85 8.783 6.930 -9.620 1.00 0.00 C ATOM 1305 C SER T 85 8.387 5.517 -10.035 1.00 0.00 C ATOM 1306 O SER T 85 8.089 5.264 -11.202 1.00 0.00 O ATOM 1307 CB SER T 85 9.887 7.454 -10.540 1.00 0.00 C ATOM 1308 OG SER T 85 9.389 7.703 -11.844 1.00 0.00 O ATOM 0 H SER T 85 10.199 6.687 -8.092 1.00 0.00 H new ATOM 0 HA SER T 85 7.908 7.574 -9.710 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.305 8.371 -10.126 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.698 6.728 -10.590 1.00 0.00 H new ATOM 0 HG SER T 85 8.753 6.999 -12.091 1.00 0.00 H new ATOM 1314 N GLU T 86 8.381 4.601 -9.072 1.00 0.00 N ATOM 1315 CA GLU T 86 8.017 3.215 -9.340 1.00 0.00 C ATOM 1316 C GLU T 86 6.536 3.106 -9.688 1.00 0.00 C ATOM 1317 O GLU T 86 5.838 4.116 -9.779 1.00 0.00 O ATOM 1318 CB GLU T 86 8.336 2.339 -8.127 1.00 0.00 C ATOM 1319 CG GLU T 86 9.772 1.840 -8.099 1.00 0.00 C ATOM 1320 CD GLU T 86 9.916 0.445 -8.676 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.356 0.191 -9.764 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.589 -0.393 -8.041 1.00 0.00 O ATOM 0 H GLU T 86 8.624 4.793 -8.100 1.00 0.00 H new ATOM 0 HA GLU T 86 8.601 2.866 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.139 2.906 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.662 1.482 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.403 2.529 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.134 1.843 -7.071 1.00 0.00 H new ATOM 1329 N ARG T 87 6.060 1.881 -9.884 1.00 0.00 N ATOM 1330 CA ARG T 87 4.660 1.659 -10.221 1.00 0.00 C ATOM 1331 C ARG T 87 4.061 0.527 -9.395 1.00 0.00 C ATOM 1332 O ARG T 87 4.436 -0.636 -9.546 1.00 0.00 O ATOM 1333 CB ARG T 87 4.507 1.350 -11.707 1.00 0.00 C ATOM 1334 CG ARG T 87 5.521 0.349 -12.235 1.00 0.00 C ATOM 1335 CD ARG T 87 6.292 0.904 -13.422 1.00 0.00 C ATOM 1336 NE ARG T 87 5.451 1.022 -14.610 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.663 0.343 -15.733 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.685 -0.498 -15.819 1.00 0.00 N ATOM 1339 NH2 ARG T 87 4.853 0.505 -16.770 1.00 0.00 N ATOM 0 H ARG T 87 6.620 1.031 -9.816 1.00 0.00 H new ATOM 0 HA ARG T 87 4.119 2.576 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.503 0.965 -11.887 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.598 2.277 -12.272 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.218 0.083 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.009 -0.567 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG T 87 6.698 1.883 -13.166 1.00 0.00 H new ATOM 0 HD3 ARG T 87 7.140 0.254 -13.640 1.00 0.00 H new ATOM 0 HE ARG T 87 4.657 1.661 -14.576 1.00 0.00 H new ATOM 0 HH11 ARG T 87 7.310 -0.625 -15.023 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.846 -1.018 -16.681 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.066 1.151 -16.707 1.00 0.00 H new ATOM 0 HH22 ARG T 87 5.017 -0.016 -17.631 1.00 0.00 H new ATOM 1353 N TRP T 88 3.119 0.882 -8.531 1.00 0.00 N ATOM 1354 CA TRP T 88 2.442 -0.086 -7.673 1.00 0.00 C ATOM 1355 C TRP T 88 1.047 0.413 -7.315 1.00 0.00 C ATOM 1356 O TRP T 88 0.467 1.233 -8.029 1.00 0.00 O ATOM 1357 CB TRP T 88 3.239 -0.323 -6.386 1.00 0.00 C ATOM 1358 CG TRP T 88 4.722 -0.362 -6.583 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.612 0.625 -6.276 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.489 -1.444 -7.121 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.888 0.224 -6.594 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.838 -1.042 -7.115 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.167 -2.715 -7.609 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 7.863 -1.866 -7.577 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.185 -3.531 -8.068 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.519 -3.102 -8.048 1.00 0.00 C ATOM 0 H TRP T 88 2.803 1.843 -8.404 1.00 0.00 H new ATOM 0 HA TRP T 88 2.365 -1.025 -8.221 1.00 0.00 H new ATOM 0 HB2 TRP T 88 2.999 0.465 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP T 88 2.918 -1.265 -5.941 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.352 1.581 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.734 0.779 -6.463 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.141 -3.053 -7.627 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 8.892 -1.539 -7.563 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 5.948 -4.514 -8.448 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.292 -3.762 -8.413 1.00 0.00 H new ATOM 1377 N ASP T 89 0.518 -0.073 -6.198 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.802 0.336 -5.737 1.00 0.00 C ATOM 1379 C ASP T 89 -0.678 1.454 -4.709 1.00 0.00 C ATOM 1380 O ASP T 89 0.403 2.012 -4.516 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.551 -0.852 -5.132 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.751 -2.136 -5.214 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.374 -2.530 -6.338 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -0.502 -2.748 -4.155 1.00 0.00 O ATOM 0 H ASP T 89 0.984 -0.751 -5.595 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.367 0.704 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.786 -0.638 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.500 -0.984 -5.652 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.784 1.779 -4.051 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.782 2.836 -3.048 1.00 0.00 C ATOM 1391 C ALA T 90 -2.712 2.504 -1.887 1.00 0.00 C ATOM 1392 O ALA T 90 -3.911 2.300 -2.078 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.184 4.157 -3.684 1.00 0.00 C ATOM 0 H ALA T 90 -2.688 1.329 -4.193 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.771 2.922 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.180 4.941 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.477 4.411 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.184 4.067 -4.108 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.155 2.462 -0.679 1.00 0.00 N ATOM 1400 CA TYR T 91 -2.936 2.166 0.514 1.00 0.00 C ATOM 1401 C TYR T 91 -3.482 3.453 1.124 1.00 0.00 C ATOM 1402 O TYR T 91 -2.736 4.238 1.706 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.076 1.431 1.542 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.908 -0.047 1.267 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -2.989 -0.917 1.331 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.663 -0.571 0.941 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.834 -2.266 1.078 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.502 -1.920 0.688 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.590 -2.763 0.758 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.431 -4.106 0.505 1.00 0.00 O ATOM 0 H TYR T 91 -1.164 2.630 -0.503 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.772 1.527 0.228 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.091 1.897 1.575 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.522 1.557 2.529 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -3.966 -0.532 1.583 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.192 0.086 0.884 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.685 -2.929 1.131 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.472 -2.312 0.436 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.891 -4.225 -0.304 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.786 3.668 0.984 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.421 4.866 1.519 1.00 0.00 C ATOM 1422 C CYS T 92 -5.732 4.704 3.004 1.00 0.00 C ATOM 1423 O CYS T 92 -5.716 3.593 3.534 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.706 5.172 0.748 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.448 6.122 -0.786 1.00 0.00 S ATOM 0 H CYS T 92 -5.422 3.030 0.506 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.726 5.698 1.402 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.201 4.233 0.502 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.382 5.728 1.397 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.013 5.821 3.668 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.327 5.807 5.090 1.00 0.00 C ATOM 1432 C TYR T 93 -7.217 6.988 5.463 1.00 0.00 C ATOM 1433 O TYR T 93 -6.821 8.145 5.325 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.041 5.847 5.919 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.283 5.702 7.405 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -5.919 6.705 8.124 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -4.876 4.563 8.088 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.144 6.580 9.481 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.097 4.428 9.447 1.00 0.00 C ATOM 1440 CZ TYR T 93 -5.731 5.439 10.138 1.00 0.00 C ATOM 1441 OH TYR T 93 -5.953 5.310 11.489 1.00 0.00 O ATOM 0 H TYR T 93 -6.029 6.748 3.242 1.00 0.00 H new ATOM 0 HA TYR T 93 -6.865 4.884 5.307 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.377 5.049 5.586 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.525 6.789 5.732 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.244 7.599 7.613 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.379 3.770 7.549 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.640 7.370 10.025 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -4.775 3.536 9.964 1.00 0.00 H new ATOM 0 HH TYR T 93 -5.603 4.448 11.797 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.416 6.685 5.946 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.362 7.717 6.351 1.00 0.00 C ATOM 1453 C ASN T 94 -9.991 7.365 7.695 1.00 0.00 C ATOM 1454 O ASN T 94 -10.278 6.200 7.969 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.454 7.887 5.291 1.00 0.00 C ATOM 1456 CG ASN T 94 -9.937 8.530 4.018 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.829 8.241 3.569 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.743 9.406 3.428 1.00 0.00 N ATOM 0 H ASN T 94 -8.756 5.731 6.067 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.821 8.658 6.452 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -10.880 6.912 5.054 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.260 8.496 5.700 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.451 9.869 2.567 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.654 9.616 3.836 1.00 0.00 H new