USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 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 : +bothHN:sc= -5.5 K(o=-5.9,f=-14!) USER MOD Set 1.2: T 35 GLN : amide:sc= -0.354 K(o=-5.9,f=-13!) USER MOD Set 2.1: T 3 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: T 94 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.1!) USER MOD Single : T 4 HIS : no HE2:sc= -2.61! X(o=-2.6!,f=-2.6) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 139:sc= 0.213 (180deg=-0.277) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ -159:sc= -0.0892 (180deg=-0.275) USER MOD Single : T 15 THR OG1 : rot 180:sc= -1.23 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 180:sc= -0.511 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 HE2:sc= -9.99! C(o=-10!,f=-11!) USER MOD Single : T 47 CYS SG : rot 180:sc= 0 USER MOD Single : T 52 MET CE :methyl 165:sc= -0.0299 (180deg=-0.299) USER MOD Single : T 54 LYS NZ :NH3+ -110:sc= -1.74 (180deg=-2.1!) USER MOD Single : T 59 TYR OH : rot 124:sc= 1.61 USER MOD Single : T 73 THR OG1 : rot -14:sc= 0.682 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -1.75 X(o=-1.7,f=-2.2!) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 138:sc= -2.29 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -9.022 2.565 6.518 1.00 0.00 N ATOM 11 CA VAL T 2 -7.975 2.321 5.533 1.00 0.00 C ATOM 12 C VAL T 2 -8.318 1.131 4.647 1.00 0.00 C ATOM 13 O VAL T 2 -8.762 0.090 5.131 1.00 0.00 O ATOM 14 CB VAL T 2 -6.617 2.063 6.214 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.792 1.175 7.435 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.632 1.445 5.232 1.00 0.00 C ATOM 0 HA VAL T 2 -7.904 3.218 4.918 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.211 3.019 6.544 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.822 1.004 7.902 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.457 1.663 8.147 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.222 0.220 7.132 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.680 1.271 5.733 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.028 0.498 4.867 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.482 2.123 4.392 1.00 0.00 H new ATOM 26 N TYR T 3 -8.106 1.290 3.343 1.00 0.00 N ATOM 27 CA TYR T 3 -8.389 0.224 2.390 1.00 0.00 C ATOM 28 C TYR T 3 -7.336 0.179 1.290 1.00 0.00 C ATOM 29 O TYR T 3 -6.511 1.082 1.167 1.00 0.00 O ATOM 30 CB TYR T 3 -9.776 0.410 1.773 1.00 0.00 C ATOM 31 CG TYR T 3 -10.055 1.824 1.317 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.533 2.780 2.204 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.840 2.203 -0.004 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.789 4.074 1.789 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.094 3.495 -0.425 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.568 4.425 0.474 1.00 0.00 C ATOM 37 OH TYR T 3 -10.823 5.712 0.058 1.00 0.00 O ATOM 0 H TYR T 3 -7.740 2.145 2.924 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.364 -0.722 2.932 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.878 -0.263 0.922 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.531 0.118 2.503 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.708 2.508 3.235 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.469 1.477 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -11.160 4.806 2.491 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -9.922 3.774 -1.454 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.614 5.795 -0.896 1.00 0.00 H new ATOM 47 N HIS T 4 -7.375 -0.882 0.492 1.00 0.00 N ATOM 48 CA HIS T 4 -6.429 -1.054 -0.603 1.00 0.00 C ATOM 49 C HIS T 4 -7.033 -0.577 -1.919 1.00 0.00 C ATOM 50 O HIS T 4 -8.236 -0.707 -2.145 1.00 0.00 O ATOM 51 CB HIS T 4 -6.013 -2.522 -0.720 1.00 0.00 C ATOM 52 CG HIS T 4 -5.312 -2.846 -2.004 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.754 -3.817 -2.878 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.195 -2.321 -2.562 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.938 -3.875 -3.917 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.985 -2.977 -3.749 1.00 0.00 N ATOM 0 H HIS T 4 -8.054 -1.638 0.584 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.547 -0.451 -0.388 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.359 -2.773 0.115 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.899 -3.150 -0.631 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.581 -4.399 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.583 -1.532 -2.149 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.035 -4.543 -4.760 1.00 0.00 H new ATOM 65 N ARG T 5 -6.191 -0.018 -2.782 1.00 0.00 N ATOM 66 CA ARG T 5 -6.644 0.483 -4.072 1.00 0.00 C ATOM 67 C ARG T 5 -5.522 0.440 -5.105 1.00 0.00 C ATOM 68 O ARG T 5 -4.353 0.266 -4.762 1.00 0.00 O ATOM 69 CB ARG T 5 -7.156 1.913 -3.923 1.00 0.00 C ATOM 70 CG ARG T 5 -8.180 2.311 -4.974 1.00 0.00 C ATOM 71 CD ARG T 5 -9.568 1.803 -4.620 1.00 0.00 C ATOM 72 NE ARG T 5 -10.523 2.893 -4.443 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.556 3.104 -5.252 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.766 2.302 -6.287 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.382 4.117 -5.025 1.00 0.00 N ATOM 0 H ARG T 5 -5.192 0.099 -2.610 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.453 -0.159 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.600 2.029 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.310 2.599 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.202 3.397 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.882 1.912 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.921 1.136 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.516 1.215 -3.704 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.390 3.527 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -11.134 1.521 -6.464 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.560 2.466 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -12.225 4.735 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.175 4.278 -5.647 1.00 0.00 H new ATOM 89 N GLU T 6 -5.889 0.605 -6.372 1.00 0.00 N ATOM 90 CA GLU T 6 -4.917 0.592 -7.461 1.00 0.00 C ATOM 91 C GLU T 6 -4.994 1.884 -8.266 1.00 0.00 C ATOM 92 O GLU T 6 -5.664 2.837 -7.868 1.00 0.00 O ATOM 93 CB GLU T 6 -5.154 -0.610 -8.377 1.00 0.00 C ATOM 94 CG GLU T 6 -6.469 -0.545 -9.137 1.00 0.00 C ATOM 95 CD GLU T 6 -7.673 -0.733 -8.234 1.00 0.00 C ATOM 96 OE1 GLU T 6 -7.777 -1.802 -7.598 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.510 0.190 -8.162 1.00 0.00 O ATOM 0 H GLU T 6 -6.854 0.749 -6.671 1.00 0.00 H new ATOM 0 HA GLU T 6 -3.921 0.511 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.334 -0.679 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.134 -1.521 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.545 0.418 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -6.476 -1.313 -9.911 1.00 0.00 H new ATOM 104 N ALA T 7 -4.304 1.909 -9.401 1.00 0.00 N ATOM 105 CA ALA T 7 -4.296 3.085 -10.263 1.00 0.00 C ATOM 106 C ALA T 7 -5.477 3.069 -11.227 1.00 0.00 C ATOM 107 O ALA T 7 -5.960 2.005 -11.615 1.00 0.00 O ATOM 108 CB ALA T 7 -2.986 3.167 -11.032 1.00 0.00 C ATOM 0 H ALA T 7 -3.744 1.129 -9.745 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.390 3.968 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -2.994 4.050 -11.671 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.155 3.235 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -2.869 2.275 -11.647 1.00 0.00 H new ATOM 114 N ARG T 8 -5.936 4.256 -11.611 1.00 0.00 N ATOM 115 CA ARG T 8 -7.061 4.379 -12.532 1.00 0.00 C ATOM 116 C ARG T 8 -6.737 3.732 -13.874 1.00 0.00 C ATOM 117 O ARG T 8 -7.635 3.413 -14.653 1.00 0.00 O ATOM 118 CB ARG T 8 -7.420 5.852 -12.737 1.00 0.00 C ATOM 119 CG ARG T 8 -8.464 6.368 -11.761 1.00 0.00 C ATOM 120 CD ARG T 8 -7.831 7.150 -10.621 1.00 0.00 C ATOM 121 NE ARG T 8 -8.835 7.756 -9.751 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.550 7.071 -8.864 1.00 0.00 C ATOM 123 NH1 ARG T 8 -9.368 5.764 -8.728 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.447 7.693 -8.111 1.00 0.00 N ATOM 0 H ARG T 8 -5.547 5.146 -11.299 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.915 3.861 -12.095 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.516 6.454 -12.640 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.787 5.989 -13.754 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.173 7.005 -12.290 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -9.030 5.529 -11.356 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -7.196 6.486 -10.034 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -7.187 7.929 -11.029 1.00 0.00 H new ATOM 0 HE ARG T 8 -8.997 8.760 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -8.678 5.282 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -9.918 5.241 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.589 8.698 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -10.995 7.166 -7.431 1.00 0.00 H new ATOM 138 N SER T 9 -5.448 3.542 -14.137 1.00 0.00 N ATOM 139 CA SER T 9 -5.006 2.934 -15.385 1.00 0.00 C ATOM 140 C SER T 9 -4.734 1.444 -15.198 1.00 0.00 C ATOM 141 O SER T 9 -4.819 0.665 -16.148 1.00 0.00 O ATOM 142 CB SER T 9 -3.746 3.634 -15.900 1.00 0.00 C ATOM 143 OG SER T 9 -4.046 4.486 -16.992 1.00 0.00 O ATOM 0 H SER T 9 -4.692 3.800 -13.502 1.00 0.00 H new ATOM 0 HA SER T 9 -5.803 3.050 -16.119 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.294 4.214 -15.096 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.012 2.889 -16.207 1.00 0.00 H new ATOM 0 HG SER T 9 -3.225 4.923 -17.301 1.00 0.00 H new ATOM 149 N GLY T 10 -4.410 1.054 -13.969 1.00 0.00 N ATOM 150 CA GLY T 10 -4.134 -0.342 -13.684 1.00 0.00 C ATOM 151 C GLY T 10 -3.187 -0.518 -12.514 1.00 0.00 C ATOM 152 O GLY T 10 -2.569 0.443 -12.053 1.00 0.00 O ATOM 0 H GLY T 10 -4.334 1.679 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.070 -0.858 -13.471 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -3.705 -0.812 -14.569 1.00 0.00 H new ATOM 156 N LYS T 11 -3.073 -1.751 -12.032 1.00 0.00 N ATOM 157 CA LYS T 11 -2.194 -2.059 -10.909 1.00 0.00 C ATOM 158 C LYS T 11 -0.741 -1.753 -11.257 1.00 0.00 C ATOM 159 O LYS T 11 -0.357 -1.773 -12.427 1.00 0.00 O ATOM 160 CB LYS T 11 -2.341 -3.529 -10.511 1.00 0.00 C ATOM 161 CG LYS T 11 -1.330 -3.980 -9.468 1.00 0.00 C ATOM 162 CD LYS T 11 -1.820 -5.202 -8.709 1.00 0.00 C ATOM 163 CE LYS T 11 -0.802 -6.331 -8.749 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.403 -7.635 -8.358 1.00 0.00 N ATOM 0 H LYS T 11 -3.579 -2.555 -12.402 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.484 -1.432 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.347 -3.694 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.235 -4.150 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.382 -4.209 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.141 -3.167 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.023 -4.930 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.761 -5.545 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.387 -6.410 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS T 11 0.026 -6.097 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.040 -8.385 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.152 -7.851 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.438 -7.581 -8.448 1.00 0.00 H new ATOM 178 N TYR T 12 0.060 -1.470 -10.236 1.00 0.00 N ATOM 179 CA TYR T 12 1.470 -1.158 -10.436 1.00 0.00 C ATOM 180 C TYR T 12 1.635 0.001 -11.412 1.00 0.00 C ATOM 181 O TYR T 12 2.380 -0.094 -12.387 1.00 0.00 O ATOM 182 CB TYR T 12 2.220 -2.389 -10.953 1.00 0.00 C ATOM 183 CG TYR T 12 2.407 -3.470 -9.910 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.819 -3.363 -8.655 1.00 0.00 C ATOM 185 CD2 TYR T 12 3.172 -4.597 -10.182 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.989 -4.349 -7.702 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.345 -5.587 -9.234 1.00 0.00 C ATOM 188 CZ TYR T 12 2.752 -5.458 -7.996 1.00 0.00 C ATOM 189 OH TYR T 12 2.922 -6.443 -7.050 1.00 0.00 O ATOM 0 H TYR T 12 -0.243 -1.450 -9.262 1.00 0.00 H new ATOM 0 HA TYR T 12 1.892 -0.864 -9.475 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.676 -2.805 -11.801 1.00 0.00 H new ATOM 0 HB3 TYR T 12 3.198 -2.079 -11.322 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.220 -2.495 -8.421 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.639 -4.701 -11.150 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.526 -4.251 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.942 -6.458 -9.462 1.00 0.00 H new ATOM 0 HH TYR T 12 3.486 -7.156 -7.417 1.00 0.00 H new ATOM 199 N LYS T 13 0.927 1.093 -11.143 1.00 0.00 N ATOM 200 CA LYS T 13 0.984 2.271 -11.993 1.00 0.00 C ATOM 201 C LYS T 13 0.932 3.543 -11.153 1.00 0.00 C ATOM 202 O LYS T 13 0.908 4.653 -11.686 1.00 0.00 O ATOM 203 CB LYS T 13 -0.179 2.252 -12.982 1.00 0.00 C ATOM 204 CG LYS T 13 0.198 1.735 -14.361 1.00 0.00 C ATOM 205 CD LYS T 13 -0.598 2.428 -15.454 1.00 0.00 C ATOM 206 CE LYS T 13 -1.114 1.436 -16.483 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.203 2.039 -17.842 1.00 0.00 N ATOM 0 H LYS T 13 0.306 1.184 -10.339 1.00 0.00 H new ATOM 0 HA LYS T 13 1.925 2.258 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.978 1.631 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.578 3.262 -13.079 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.263 1.892 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.023 0.660 -14.408 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.438 2.963 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.029 3.171 -15.946 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -0.454 0.569 -16.513 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.098 1.078 -16.180 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.866 1.488 -18.423 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.542 3.019 -17.765 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.263 2.031 -18.287 1.00 0.00 H new ATOM 221 N LEU T 14 0.906 3.370 -9.835 1.00 0.00 N ATOM 222 CA LEU T 14 0.846 4.495 -8.910 1.00 0.00 C ATOM 223 C LEU T 14 2.188 4.724 -8.227 1.00 0.00 C ATOM 224 O LEU T 14 2.881 3.775 -7.859 1.00 0.00 O ATOM 225 CB LEU T 14 -0.231 4.246 -7.855 1.00 0.00 C ATOM 226 CG LEU T 14 -1.641 4.693 -8.242 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.677 3.936 -7.427 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.795 6.193 -8.049 1.00 0.00 C ATOM 0 H LEU T 14 0.926 2.456 -9.382 1.00 0.00 H new ATOM 0 HA LEU T 14 0.598 5.388 -9.484 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.255 3.180 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.056 4.760 -6.938 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.801 4.467 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.676 4.265 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.579 2.867 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.520 4.133 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.804 6.494 -8.329 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.618 6.445 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.073 6.717 -8.676 1.00 0.00 H new ATOM 240 N THR T 15 2.536 5.992 -8.048 1.00 0.00 N ATOM 241 CA THR T 15 3.782 6.360 -7.394 1.00 0.00 C ATOM 242 C THR T 15 3.495 6.981 -6.033 1.00 0.00 C ATOM 243 O THR T 15 2.453 7.603 -5.841 1.00 0.00 O ATOM 244 CB THR T 15 4.595 7.357 -8.241 1.00 0.00 C ATOM 245 OG1 THR T 15 3.895 8.603 -8.339 1.00 0.00 O ATOM 246 CG2 THR T 15 4.849 6.804 -9.636 1.00 0.00 C ATOM 0 H THR T 15 1.969 6.785 -8.349 1.00 0.00 H new ATOM 0 HA THR T 15 4.369 5.450 -7.274 1.00 0.00 H new ATOM 0 HB THR T 15 5.555 7.516 -7.749 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.420 9.231 -8.878 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.425 7.526 -10.215 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.408 5.871 -9.561 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.897 6.618 -10.133 1.00 0.00 H new ATOM 254 N TYR T 16 4.413 6.807 -5.091 1.00 0.00 N ATOM 255 CA TYR T 16 4.236 7.355 -3.751 1.00 0.00 C ATOM 256 C TYR T 16 3.507 8.695 -3.802 1.00 0.00 C ATOM 257 O TYR T 16 2.645 8.977 -2.968 1.00 0.00 O ATOM 258 CB TYR T 16 5.588 7.525 -3.059 1.00 0.00 C ATOM 259 CG TYR T 16 5.496 8.219 -1.719 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.995 7.558 -0.604 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.909 9.537 -1.571 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.910 8.192 0.621 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.827 10.177 -0.350 1.00 0.00 C ATOM 264 CZ TYR T 16 5.327 9.500 0.743 1.00 0.00 C ATOM 265 OH TYR T 16 5.243 10.135 1.961 1.00 0.00 O ATOM 0 H TYR T 16 5.284 6.294 -5.228 1.00 0.00 H new ATOM 0 HA TYR T 16 3.631 6.652 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.043 6.544 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.251 8.095 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.667 6.533 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.301 10.070 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.519 7.665 1.479 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.153 11.202 -0.251 1.00 0.00 H new ATOM 0 HH TYR T 16 5.579 11.052 1.876 1.00 0.00 H new ATOM 275 N ALA T 17 3.860 9.517 -4.784 1.00 0.00 N ATOM 276 CA ALA T 17 3.243 10.829 -4.945 1.00 0.00 C ATOM 277 C ALA T 17 1.820 10.713 -5.483 1.00 0.00 C ATOM 278 O ALA T 17 0.912 11.396 -5.005 1.00 0.00 O ATOM 279 CB ALA T 17 4.088 11.698 -5.861 1.00 0.00 C ATOM 0 H ALA T 17 4.571 9.298 -5.482 1.00 0.00 H new ATOM 0 HA ALA T 17 3.189 11.298 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.617 12.674 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.082 11.822 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.173 11.222 -6.838 1.00 0.00 H new ATOM 285 N GLU T 18 1.621 9.843 -6.471 1.00 0.00 N ATOM 286 CA GLU T 18 0.304 9.645 -7.054 1.00 0.00 C ATOM 287 C GLU T 18 -0.615 8.975 -6.045 1.00 0.00 C ATOM 288 O GLU T 18 -1.769 9.368 -5.874 1.00 0.00 O ATOM 289 CB GLU T 18 0.415 8.787 -8.312 1.00 0.00 C ATOM 290 CG GLU T 18 1.181 9.460 -9.439 1.00 0.00 C ATOM 291 CD GLU T 18 1.286 8.589 -10.675 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.591 7.387 -10.530 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.061 9.109 -11.789 1.00 0.00 O ATOM 0 H GLU T 18 2.356 9.267 -6.881 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.115 10.615 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.907 7.848 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.587 8.538 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.688 10.396 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.183 9.713 -9.092 1.00 0.00 H new ATOM 300 N ALA T 19 -0.080 7.964 -5.374 1.00 0.00 N ATOM 301 CA ALA T 19 -0.822 7.226 -4.367 1.00 0.00 C ATOM 302 C ALA T 19 -1.335 8.158 -3.275 1.00 0.00 C ATOM 303 O ALA T 19 -2.452 8.003 -2.784 1.00 0.00 O ATOM 304 CB ALA T 19 0.068 6.148 -3.768 1.00 0.00 C ATOM 0 H ALA T 19 0.876 7.635 -5.513 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.686 6.759 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.489 5.594 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.391 5.465 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.941 6.611 -3.308 1.00 0.00 H new ATOM 310 N LYS T 20 -0.505 9.127 -2.901 1.00 0.00 N ATOM 311 CA LYS T 20 -0.862 10.090 -1.867 1.00 0.00 C ATOM 312 C LYS T 20 -1.848 11.122 -2.396 1.00 0.00 C ATOM 313 O LYS T 20 -2.760 11.539 -1.687 1.00 0.00 O ATOM 314 CB LYS T 20 0.396 10.787 -1.349 1.00 0.00 C ATOM 315 CG LYS T 20 0.242 11.368 0.048 1.00 0.00 C ATOM 316 CD LYS T 20 1.562 11.907 0.578 1.00 0.00 C ATOM 317 CE LYS T 20 1.899 11.323 1.939 1.00 0.00 C ATOM 318 NZ LYS T 20 1.126 11.973 3.033 1.00 0.00 N ATOM 0 H LYS T 20 0.423 9.266 -3.301 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.340 9.551 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.221 10.075 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.667 11.587 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.498 12.168 0.030 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.135 10.600 0.723 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.360 11.673 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.509 12.993 0.651 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.692 10.253 1.935 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.966 11.441 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.387 11.545 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 1.342 12.990 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 0.108 11.839 2.866 1.00 0.00 H new ATOM 332 N ALA T 21 -1.659 11.535 -3.643 1.00 0.00 N ATOM 333 CA ALA T 21 -2.538 12.524 -4.257 1.00 0.00 C ATOM 334 C ALA T 21 -3.991 12.071 -4.211 1.00 0.00 C ATOM 335 O ALA T 21 -4.873 12.819 -3.789 1.00 0.00 O ATOM 336 CB ALA T 21 -2.114 12.794 -5.693 1.00 0.00 C ATOM 0 H ALA T 21 -0.908 11.202 -4.248 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.453 13.449 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.780 13.534 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.092 13.172 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.166 11.869 -6.268 1.00 0.00 H new ATOM 342 N VAL T 22 -4.233 10.843 -4.647 1.00 0.00 N ATOM 343 CA VAL T 22 -5.579 10.283 -4.662 1.00 0.00 C ATOM 344 C VAL T 22 -6.095 10.036 -3.249 1.00 0.00 C ATOM 345 O VAL T 22 -7.174 10.498 -2.880 1.00 0.00 O ATOM 346 CB VAL T 22 -5.625 8.961 -5.452 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.837 8.134 -5.045 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.634 9.232 -6.948 1.00 0.00 C ATOM 0 H VAL T 22 -3.512 10.212 -4.997 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.219 11.017 -5.152 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.728 8.388 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.851 7.205 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.781 7.907 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.747 8.698 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.667 8.286 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.510 9.827 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.731 9.777 -7.224 1.00 0.00 H new ATOM 358 N CYS T 23 -5.317 9.301 -2.468 1.00 0.00 N ATOM 359 CA CYS T 23 -5.690 8.980 -1.097 1.00 0.00 C ATOM 360 C CYS T 23 -5.788 10.239 -0.241 1.00 0.00 C ATOM 361 O CYS T 23 -6.536 10.279 0.737 1.00 0.00 O ATOM 362 CB CYS T 23 -4.676 8.008 -0.499 1.00 0.00 C ATOM 363 SG CYS T 23 -4.710 6.350 -1.255 1.00 0.00 S ATOM 0 H CYS T 23 -4.420 8.914 -2.761 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.673 8.510 -1.110 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.676 8.427 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.865 7.913 0.570 1.00 0.00 H new ATOM 368 N GLU T 24 -5.039 11.271 -0.619 1.00 0.00 N ATOM 369 CA GLU T 24 -5.053 12.534 0.112 1.00 0.00 C ATOM 370 C GLU T 24 -5.873 13.571 -0.644 1.00 0.00 C ATOM 371 O GLU T 24 -5.996 14.721 -0.221 1.00 0.00 O ATOM 372 CB GLU T 24 -3.626 13.046 0.329 1.00 0.00 C ATOM 373 CG GLU T 24 -3.551 14.322 1.152 1.00 0.00 C ATOM 374 CD GLU T 24 -2.193 14.524 1.795 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.176 14.450 1.073 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.146 14.756 3.021 1.00 0.00 O ATOM 0 H GLU T 24 -4.416 11.258 -1.426 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.512 12.363 1.086 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.043 12.270 0.825 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.162 13.223 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -3.776 15.176 0.513 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.316 14.294 1.928 1.00 0.00 H new ATOM 383 N PHE T 25 -6.433 13.147 -1.769 1.00 0.00 N ATOM 384 CA PHE T 25 -7.246 14.015 -2.606 1.00 0.00 C ATOM 385 C PHE T 25 -8.503 14.471 -1.871 1.00 0.00 C ATOM 386 O PHE T 25 -8.887 15.638 -1.941 1.00 0.00 O ATOM 387 CB PHE T 25 -7.631 13.278 -3.888 1.00 0.00 C ATOM 388 CG PHE T 25 -7.645 14.153 -5.106 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.459 14.552 -5.700 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.843 14.576 -5.657 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.466 15.356 -6.822 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.857 15.381 -6.780 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.667 15.771 -7.364 1.00 0.00 C ATOM 0 H PHE T 25 -6.336 12.196 -2.125 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.660 14.900 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.931 12.458 -4.049 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.618 12.834 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.517 14.230 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.776 14.274 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.534 15.660 -7.275 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.797 15.705 -7.201 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.676 16.399 -8.243 1.00 0.00 H new ATOM 403 N GLU T 26 -9.143 13.538 -1.178 1.00 0.00 N ATOM 404 CA GLU T 26 -10.365 13.836 -0.440 1.00 0.00 C ATOM 405 C GLU T 26 -10.092 14.021 1.048 1.00 0.00 C ATOM 406 O GLU T 26 -10.621 13.290 1.885 1.00 0.00 O ATOM 407 CB GLU T 26 -11.387 12.724 -0.658 1.00 0.00 C ATOM 408 CG GLU T 26 -11.587 12.380 -2.122 1.00 0.00 C ATOM 409 CD GLU T 26 -12.591 11.264 -2.328 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.196 10.083 -2.228 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.774 11.570 -2.588 1.00 0.00 O ATOM 0 H GLU T 26 -8.836 12.567 -1.111 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.767 14.776 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.064 11.832 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.342 13.026 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.922 13.268 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.631 12.088 -2.556 1.00 0.00 H new ATOM 418 N GLY T 27 -9.275 15.016 1.364 1.00 0.00 N ATOM 419 CA GLY T 27 -8.946 15.308 2.748 1.00 0.00 C ATOM 420 C GLY T 27 -8.447 14.088 3.499 1.00 0.00 C ATOM 421 O GLY T 27 -8.467 14.060 4.730 1.00 0.00 O ATOM 0 H GLY T 27 -8.831 15.631 0.682 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.184 16.087 2.780 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.828 15.704 3.251 1.00 0.00 H new ATOM 425 N GLY T 28 -7.993 13.084 2.761 1.00 0.00 N ATOM 426 CA GLY T 28 -7.484 11.874 3.382 1.00 0.00 C ATOM 427 C GLY T 28 -6.000 11.718 3.144 1.00 0.00 C ATOM 428 O GLY T 28 -5.312 12.686 2.824 1.00 0.00 O ATOM 0 H GLY T 28 -7.968 13.085 1.741 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -7.682 11.902 4.454 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.012 11.008 2.983 1.00 0.00 H new ATOM 432 N HIS T 29 -5.506 10.499 3.290 1.00 0.00 N ATOM 433 CA HIS T 29 -4.094 10.223 3.073 1.00 0.00 C ATOM 434 C HIS T 29 -3.890 8.783 2.648 1.00 0.00 C ATOM 435 O HIS T 29 -4.849 8.028 2.485 1.00 0.00 O ATOM 436 CB HIS T 29 -3.272 10.519 4.329 1.00 0.00 C ATOM 437 CG HIS T 29 -3.220 9.381 5.303 1.00 0.00 C ATOM 438 ND1 HIS T 29 -2.234 8.418 5.277 1.00 0.00 N ATOM 439 CD2 HIS T 29 -4.029 9.059 6.344 1.00 0.00 C ATOM 440 CE1 HIS T 29 -2.436 7.554 6.256 1.00 0.00 C ATOM 441 NE2 HIS T 29 -3.517 7.922 6.917 1.00 0.00 N ATOM 0 H HIS T 29 -6.060 9.686 3.557 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.748 10.880 2.275 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -2.255 10.778 4.033 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.691 11.393 4.828 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -1.467 8.379 4.606 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.910 9.597 6.662 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -1.822 6.694 6.477 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -3.909 7.439 7.725 1.00 0.00 H new ATOM 450 N LEU T 30 -2.637 8.409 2.472 1.00 0.00 N ATOM 451 CA LEU T 30 -2.303 7.055 2.068 1.00 0.00 C ATOM 452 C LEU T 30 -1.828 6.243 3.261 1.00 0.00 C ATOM 453 O LEU T 30 -0.894 6.629 3.964 1.00 0.00 O ATOM 454 CB LEU T 30 -1.254 7.070 0.957 1.00 0.00 C ATOM 455 CG LEU T 30 0.085 6.414 1.296 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.140 5.004 0.732 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.238 7.252 0.758 1.00 0.00 C ATOM 0 H LEU T 30 -1.833 9.023 2.602 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.201 6.579 1.675 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.671 6.570 0.083 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.068 8.106 0.673 1.00 0.00 H new ATOM 0 HG LEU T 30 0.180 6.355 2.380 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.099 4.550 0.981 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.666 4.409 1.161 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.027 5.041 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.184 6.772 1.007 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.150 7.340 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU T 30 1.206 8.245 1.206 1.00 0.00 H new ATOM 469 N ALA T 31 -2.497 5.123 3.489 1.00 0.00 N ATOM 470 CA ALA T 31 -2.174 4.247 4.605 1.00 0.00 C ATOM 471 C ALA T 31 -0.670 4.031 4.731 1.00 0.00 C ATOM 472 O ALA T 31 0.068 4.142 3.752 1.00 0.00 O ATOM 473 CB ALA T 31 -2.891 2.915 4.456 1.00 0.00 C ATOM 0 H ALA T 31 -3.272 4.798 2.911 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.516 4.733 5.519 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.640 2.270 5.298 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.968 3.082 4.435 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.580 2.436 3.527 1.00 0.00 H new ATOM 479 N THR T 32 -0.225 3.723 5.945 1.00 0.00 N ATOM 480 CA THR T 32 1.190 3.490 6.207 1.00 0.00 C ATOM 481 C THR T 32 1.464 2.016 6.463 1.00 0.00 C ATOM 482 O THR T 32 0.673 1.150 6.086 1.00 0.00 O ATOM 483 CB THR T 32 1.675 4.292 7.426 1.00 0.00 C ATOM 484 OG1 THR T 32 1.283 3.626 8.635 1.00 0.00 O ATOM 485 CG2 THR T 32 1.105 5.699 7.410 1.00 0.00 C ATOM 0 H THR T 32 -0.826 3.629 6.764 1.00 0.00 H new ATOM 0 HA THR T 32 1.730 3.817 5.319 1.00 0.00 H new ATOM 0 HB THR T 32 2.762 4.358 7.382 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.596 4.140 9.408 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.463 6.246 8.282 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.426 6.211 6.503 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.016 5.651 7.433 1.00 0.00 H new ATOM 493 N TYR T 33 2.581 1.742 7.123 1.00 0.00 N ATOM 494 CA TYR T 33 2.955 0.375 7.452 1.00 0.00 C ATOM 495 C TYR T 33 2.208 -0.087 8.691 1.00 0.00 C ATOM 496 O TYR T 33 1.280 -0.893 8.611 1.00 0.00 O ATOM 497 CB TYR T 33 4.461 0.269 7.694 1.00 0.00 C ATOM 498 CG TYR T 33 4.892 -1.034 8.326 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.736 -2.239 7.653 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.447 -1.060 9.599 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.124 -3.433 8.229 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.837 -2.250 10.182 1.00 0.00 C ATOM 503 CZ TYR T 33 5.674 -3.434 9.493 1.00 0.00 C ATOM 504 OH TYR T 33 6.060 -4.622 10.070 1.00 0.00 O ATOM 0 H TYR T 33 3.244 2.449 7.441 1.00 0.00 H new ATOM 0 HA TYR T 33 2.689 -0.263 6.609 1.00 0.00 H new ATOM 0 HB2 TYR T 33 4.981 0.389 6.743 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.774 1.093 8.335 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.304 -2.242 6.663 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.576 -0.135 10.142 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.997 -4.361 7.692 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.267 -2.253 11.172 1.00 0.00 H new ATOM 0 HH TYR T 33 6.429 -4.448 10.961 1.00 0.00 H new ATOM 514 N LYS T 34 2.620 0.440 9.836 1.00 0.00 N ATOM 515 CA LYS T 34 1.993 0.098 11.104 1.00 0.00 C ATOM 516 C LYS T 34 0.475 0.113 10.970 1.00 0.00 C ATOM 517 O LYS T 34 -0.219 -0.714 11.560 1.00 0.00 O ATOM 518 CB LYS T 34 2.432 1.072 12.198 1.00 0.00 C ATOM 519 CG LYS T 34 3.896 0.949 12.591 1.00 0.00 C ATOM 520 CD LYS T 34 4.177 1.638 13.917 1.00 0.00 C ATOM 521 CE LYS T 34 4.913 2.953 13.718 1.00 0.00 C ATOM 522 NZ LYS T 34 4.770 3.853 14.896 1.00 0.00 N ATOM 0 H LYS T 34 3.388 1.107 9.912 1.00 0.00 H new ATOM 0 HA LYS T 34 2.310 -0.907 11.382 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.243 2.091 11.859 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.815 0.910 13.082 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.167 -0.104 12.662 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.521 1.387 11.813 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.238 1.821 14.439 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.771 0.980 14.551 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.970 2.754 13.539 1.00 0.00 H new ATOM 0 HE3 LYS T 34 4.528 3.454 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.286 4.739 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 3.764 4.064 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.160 3.386 15.739 1.00 0.00 H new ATOM 536 N GLN T 35 -0.036 1.055 10.180 1.00 0.00 N ATOM 537 CA GLN T 35 -1.469 1.169 9.963 1.00 0.00 C ATOM 538 C GLN T 35 -1.987 -0.040 9.197 1.00 0.00 C ATOM 539 O GLN T 35 -2.922 -0.711 9.635 1.00 0.00 O ATOM 540 CB GLN T 35 -1.783 2.452 9.197 1.00 0.00 C ATOM 541 CG GLN T 35 -1.498 3.717 9.989 1.00 0.00 C ATOM 542 CD GLN T 35 -1.887 4.977 9.242 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.210 4.934 8.054 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.857 6.108 9.936 1.00 0.00 N ATOM 0 H GLN T 35 0.523 1.747 9.682 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.967 1.206 10.932 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.198 2.469 8.278 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.833 2.444 8.906 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.040 3.678 10.934 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.436 3.757 10.232 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.583 6.096 10.918 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -2.108 6.989 9.487 1.00 0.00 H new ATOM 553 N LEU T 36 -1.363 -0.324 8.058 1.00 0.00 N ATOM 554 CA LEU T 36 -1.755 -1.465 7.245 1.00 0.00 C ATOM 555 C LEU T 36 -1.654 -2.745 8.062 1.00 0.00 C ATOM 556 O LEU T 36 -2.285 -3.753 7.746 1.00 0.00 O ATOM 557 CB LEU T 36 -0.872 -1.564 5.999 1.00 0.00 C ATOM 558 CG LEU T 36 -1.625 -1.641 4.669 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.308 -2.991 4.519 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.640 -0.513 4.566 1.00 0.00 C ATOM 0 H LEU T 36 -0.587 0.219 7.680 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.788 -1.327 6.926 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.210 -0.699 5.973 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.239 -2.447 6.091 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.905 -1.530 3.858 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.838 -3.027 3.567 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.559 -3.783 4.547 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -3.017 -3.133 5.335 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.166 -0.583 3.614 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.357 -0.592 5.384 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.126 0.446 4.626 1.00 0.00 H new ATOM 572 N GLU T 37 -0.858 -2.686 9.126 1.00 0.00 N ATOM 573 CA GLU T 37 -0.672 -3.829 10.009 1.00 0.00 C ATOM 574 C GLU T 37 -1.917 -4.058 10.851 1.00 0.00 C ATOM 575 O GLU T 37 -2.559 -5.105 10.763 1.00 0.00 O ATOM 576 CB GLU T 37 0.532 -3.600 10.923 1.00 0.00 C ATOM 577 CG GLU T 37 0.879 -4.806 11.779 1.00 0.00 C ATOM 578 CD GLU T 37 1.530 -4.421 13.093 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.668 -3.906 13.063 1.00 0.00 O ATOM 580 OE2 GLU T 37 0.904 -4.636 14.152 1.00 0.00 O ATOM 0 H GLU T 37 -0.331 -1.856 9.396 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.493 -4.712 9.395 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.396 -3.336 10.313 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.328 -2.749 11.573 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.028 -5.377 11.980 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.551 -5.460 11.223 1.00 0.00 H new ATOM 587 N ALA T 38 -2.249 -3.067 11.667 1.00 0.00 N ATOM 588 CA ALA T 38 -3.417 -3.147 12.532 1.00 0.00 C ATOM 589 C ALA T 38 -4.685 -3.365 11.716 1.00 0.00 C ATOM 590 O ALA T 38 -5.721 -3.754 12.252 1.00 0.00 O ATOM 591 CB ALA T 38 -3.536 -1.891 13.382 1.00 0.00 C ATOM 0 H ALA T 38 -1.724 -2.196 11.748 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.292 -4.003 13.195 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.414 -1.967 14.023 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.644 -1.784 14.000 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.635 -1.021 12.733 1.00 0.00 H new ATOM 597 N ALA T 39 -4.586 -3.126 10.414 1.00 0.00 N ATOM 598 CA ALA T 39 -5.716 -3.312 9.516 1.00 0.00 C ATOM 599 C ALA T 39 -5.658 -4.702 8.906 1.00 0.00 C ATOM 600 O ALA T 39 -6.678 -5.308 8.591 1.00 0.00 O ATOM 601 CB ALA T 39 -5.712 -2.250 8.431 1.00 0.00 C ATOM 0 H ALA T 39 -3.733 -2.803 9.957 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.642 -3.213 10.082 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.564 -2.404 7.768 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.781 -1.263 8.888 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.788 -2.320 7.857 1.00 0.00 H new ATOM 607 N ARG T 40 -4.440 -5.200 8.763 1.00 0.00 N ATOM 608 CA ARG T 40 -4.205 -6.522 8.217 1.00 0.00 C ATOM 609 C ARG T 40 -4.692 -7.577 9.193 1.00 0.00 C ATOM 610 O ARG T 40 -5.150 -8.648 8.799 1.00 0.00 O ATOM 611 CB ARG T 40 -2.713 -6.708 7.958 1.00 0.00 C ATOM 612 CG ARG T 40 -2.317 -8.149 7.675 1.00 0.00 C ATOM 613 CD ARG T 40 -1.277 -8.650 8.666 1.00 0.00 C ATOM 614 NE ARG T 40 -1.867 -9.480 9.712 1.00 0.00 N ATOM 615 CZ ARG T 40 -1.163 -10.048 10.686 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.151 -9.876 10.746 1.00 0.00 N ATOM 617 NH2 ARG T 40 -1.772 -10.790 11.601 1.00 0.00 N ATOM 0 H ARG T 40 -3.590 -4.699 9.022 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.751 -6.627 7.279 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.420 -6.087 7.112 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.156 -6.351 8.824 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.201 -8.785 7.722 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.922 -8.226 6.662 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.518 -9.224 8.134 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.772 -7.798 9.122 1.00 0.00 H new ATOM 0 HE ARG T 40 -2.875 -9.633 9.694 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.623 -9.307 10.044 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.689 -10.313 11.494 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -2.782 -10.926 11.558 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -1.230 -11.225 12.348 1.00 0.00 H new ATOM 631 N LYS T 41 -4.584 -7.258 10.478 1.00 0.00 N ATOM 632 CA LYS T 41 -5.007 -8.173 11.525 1.00 0.00 C ATOM 633 C LYS T 41 -6.517 -8.375 11.501 1.00 0.00 C ATOM 634 O LYS T 41 -7.032 -9.339 12.065 1.00 0.00 O ATOM 635 CB LYS T 41 -4.570 -7.657 12.898 1.00 0.00 C ATOM 636 CG LYS T 41 -3.147 -7.123 12.923 1.00 0.00 C ATOM 637 CD LYS T 41 -2.593 -7.073 14.338 1.00 0.00 C ATOM 638 CE LYS T 41 -3.035 -5.813 15.066 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.587 -5.806 16.486 1.00 0.00 N ATOM 0 H LYS T 41 -4.207 -6.373 10.817 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.529 -9.135 11.339 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.251 -6.867 13.214 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.659 -8.464 13.625 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.510 -7.755 12.304 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -3.125 -6.124 12.487 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.927 -7.950 14.892 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.504 -7.112 14.305 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -2.633 -4.938 14.554 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -4.121 -5.734 15.028 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -2.908 -4.931 16.947 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -2.991 -6.627 16.981 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.549 -5.856 16.523 1.00 0.00 H new ATOM 653 N ILE T 42 -7.221 -7.464 10.838 1.00 0.00 N ATOM 654 CA ILE T 42 -8.669 -7.547 10.736 1.00 0.00 C ATOM 655 C ILE T 42 -9.071 -8.303 9.477 1.00 0.00 C ATOM 656 O ILE T 42 -10.174 -8.841 9.384 1.00 0.00 O ATOM 657 CB ILE T 42 -9.298 -6.145 10.705 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.137 -5.534 9.314 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.652 -5.255 11.757 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.397 -4.889 8.782 1.00 0.00 C ATOM 0 H ILE T 42 -6.810 -6.660 10.364 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.033 -8.081 11.614 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.361 -6.227 10.930 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.343 -4.788 9.345 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.817 -6.312 8.620 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.106 -4.265 11.725 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.802 -5.691 12.745 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.584 -5.171 11.556 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.205 -4.478 7.791 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.189 -5.635 8.718 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.707 -4.088 9.453 1.00 0.00 H new ATOM 672 N GLY T 43 -8.161 -8.333 8.508 1.00 0.00 N ATOM 673 CA GLY T 43 -8.423 -9.017 7.259 1.00 0.00 C ATOM 674 C GLY T 43 -7.921 -8.230 6.066 1.00 0.00 C ATOM 675 O GLY T 43 -8.334 -8.480 4.933 1.00 0.00 O ATOM 0 H GLY T 43 -7.243 -7.893 8.568 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -7.945 -9.996 7.275 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.495 -9.187 7.156 1.00 0.00 H new ATOM 679 N PHE T 44 -7.028 -7.275 6.316 1.00 0.00 N ATOM 680 CA PHE T 44 -6.474 -6.454 5.250 1.00 0.00 C ATOM 681 C PHE T 44 -5.456 -7.241 4.431 1.00 0.00 C ATOM 682 O PHE T 44 -4.257 -7.197 4.706 1.00 0.00 O ATOM 683 CB PHE T 44 -5.821 -5.205 5.836 1.00 0.00 C ATOM 684 CG PHE T 44 -5.803 -4.035 4.896 1.00 0.00 C ATOM 685 CD1 PHE T 44 -5.355 -4.182 3.594 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.237 -2.788 5.313 1.00 0.00 C ATOM 687 CE1 PHE T 44 -5.337 -3.107 2.725 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.223 -1.709 4.450 1.00 0.00 C ATOM 689 CZ PHE T 44 -5.772 -1.868 3.155 1.00 0.00 C ATOM 0 H PHE T 44 -6.675 -7.053 7.247 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.288 -6.156 4.590 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.351 -4.921 6.745 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -4.797 -5.443 6.125 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -5.015 -5.149 3.253 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -6.591 -2.657 6.325 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -4.984 -3.235 1.712 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -6.565 -0.742 4.788 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.759 -1.026 2.479 1.00 0.00 H new ATOM 699 N HIS T 45 -5.944 -7.959 3.426 1.00 0.00 N ATOM 700 CA HIS T 45 -5.078 -8.757 2.567 1.00 0.00 C ATOM 701 C HIS T 45 -5.095 -8.232 1.137 1.00 0.00 C ATOM 702 O HIS T 45 -6.150 -8.147 0.508 1.00 0.00 O ATOM 703 CB HIS T 45 -5.514 -10.225 2.588 1.00 0.00 C ATOM 704 CG HIS T 45 -4.661 -11.126 1.748 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.560 -12.484 1.967 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.865 -10.859 0.684 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.739 -13.011 1.075 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.305 -12.047 0.285 1.00 0.00 N ATOM 0 H HIS T 45 -6.934 -8.005 3.186 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.061 -8.681 2.951 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.499 -10.583 3.617 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.546 -10.292 2.242 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -5.043 -13.001 2.702 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.702 -9.891 0.234 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -3.469 -14.054 1.005 1.00 0.00 H new ATOM 717 N VAL T 46 -3.918 -7.889 0.624 1.00 0.00 N ATOM 718 CA VAL T 46 -3.797 -7.383 -0.736 1.00 0.00 C ATOM 719 C VAL T 46 -2.455 -7.779 -1.350 1.00 0.00 C ATOM 720 O VAL T 46 -1.398 -7.317 -0.918 1.00 0.00 O ATOM 721 CB VAL T 46 -3.972 -5.846 -0.789 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.211 -5.282 0.603 1.00 0.00 C ATOM 723 CG2 VAL T 46 -2.774 -5.169 -1.435 1.00 0.00 C ATOM 0 H VAL T 46 -3.035 -7.953 1.131 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.598 -7.836 -1.320 1.00 0.00 H new ATOM 0 HB VAL T 46 -4.846 -5.638 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.331 -4.200 0.542 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -5.114 -5.724 1.025 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -3.360 -5.517 1.242 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -2.932 -4.091 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -1.876 -5.393 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -2.654 -5.537 -2.454 1.00 0.00 H new ATOM 733 N CYS T 47 -2.509 -8.650 -2.354 1.00 0.00 N ATOM 734 CA CYS T 47 -1.303 -9.121 -3.027 1.00 0.00 C ATOM 735 C CYS T 47 -0.847 -8.130 -4.091 1.00 0.00 C ATOM 736 O CYS T 47 -1.013 -8.367 -5.288 1.00 0.00 O ATOM 737 CB CYS T 47 -1.552 -10.490 -3.663 1.00 0.00 C ATOM 738 SG CYS T 47 -0.069 -11.542 -3.763 1.00 0.00 S ATOM 0 H CYS T 47 -3.376 -9.044 -2.719 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.514 -9.211 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.317 -11.012 -3.088 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.951 -10.345 -4.667 1.00 0.00 H new ATOM 0 HG CYS T 47 -0.379 -12.678 -4.313 1.00 0.00 H new ATOM 743 N ALA T 48 -0.273 -7.018 -3.646 1.00 0.00 N ATOM 744 CA ALA T 48 0.210 -5.987 -4.557 1.00 0.00 C ATOM 745 C ALA T 48 0.897 -4.865 -3.790 1.00 0.00 C ATOM 746 O ALA T 48 0.303 -4.254 -2.902 1.00 0.00 O ATOM 747 CB ALA T 48 -0.938 -5.438 -5.389 1.00 0.00 C ATOM 0 H ALA T 48 -0.131 -6.807 -2.658 1.00 0.00 H new ATOM 0 HA ALA T 48 0.942 -6.438 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.563 -4.669 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.385 -6.245 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.691 -5.006 -4.730 1.00 0.00 H new ATOM 753 N ALA T 49 2.152 -4.601 -4.137 1.00 0.00 N ATOM 754 CA ALA T 49 2.924 -3.553 -3.481 1.00 0.00 C ATOM 755 C ALA T 49 2.084 -2.298 -3.276 1.00 0.00 C ATOM 756 O ALA T 49 1.646 -1.668 -4.238 1.00 0.00 O ATOM 757 CB ALA T 49 4.170 -3.229 -4.290 1.00 0.00 C ATOM 0 H ALA T 49 2.657 -5.099 -4.870 1.00 0.00 H new ATOM 0 HA ALA T 49 3.226 -3.920 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.736 -2.445 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.788 -4.122 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.880 -2.887 -5.284 1.00 0.00 H new ATOM 763 N GLY T 50 1.867 -1.939 -2.016 1.00 0.00 N ATOM 764 CA GLY T 50 1.083 -0.760 -1.705 1.00 0.00 C ATOM 765 C GLY T 50 1.893 0.307 -0.997 1.00 0.00 C ATOM 766 O GLY T 50 2.394 0.086 0.106 1.00 0.00 O ATOM 0 H GLY T 50 2.221 -2.444 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.672 -0.348 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.238 -1.045 -1.079 1.00 0.00 H new ATOM 770 N TRP T 51 2.026 1.463 -1.635 1.00 0.00 N ATOM 771 CA TRP T 51 2.786 2.570 -1.067 1.00 0.00 C ATOM 772 C TRP T 51 2.352 2.869 0.364 1.00 0.00 C ATOM 773 O TRP T 51 1.309 2.400 0.822 1.00 0.00 O ATOM 774 CB TRP T 51 2.621 3.820 -1.930 1.00 0.00 C ATOM 775 CG TRP T 51 3.491 3.815 -3.146 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.097 3.598 -4.434 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.905 4.032 -3.186 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.183 3.666 -5.275 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.304 3.932 -4.532 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.872 4.302 -2.212 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.630 4.093 -4.928 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.186 4.461 -2.607 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.555 4.357 -3.954 1.00 0.00 C ATOM 0 H TRP T 51 1.616 1.659 -2.548 1.00 0.00 H new ATOM 0 HA TRP T 51 3.836 2.277 -1.049 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.579 3.907 -2.237 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.851 4.701 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.082 3.402 -4.747 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.158 3.539 -6.287 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.596 4.385 -1.171 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.918 4.012 -5.966 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.942 4.669 -1.864 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.591 4.488 -4.230 1.00 0.00 H new ATOM 794 N MET T 52 3.161 3.662 1.061 1.00 0.00 N ATOM 795 CA MET T 52 2.871 4.042 2.439 1.00 0.00 C ATOM 796 C MET T 52 3.691 5.267 2.836 1.00 0.00 C ATOM 797 O MET T 52 4.605 5.671 2.118 1.00 0.00 O ATOM 798 CB MET T 52 3.161 2.880 3.395 1.00 0.00 C ATOM 799 CG MET T 52 4.164 1.875 2.856 1.00 0.00 C ATOM 800 SD MET T 52 4.366 0.442 3.933 1.00 0.00 S ATOM 801 CE MET T 52 2.811 -0.404 3.665 1.00 0.00 C ATOM 0 H MET T 52 4.026 4.055 0.691 1.00 0.00 H new ATOM 0 HA MET T 52 1.812 4.290 2.509 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.535 3.282 4.337 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.227 2.363 3.617 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.842 1.540 1.870 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.129 2.365 2.727 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.882 -1.424 4.041 1.00 0.00 H new ATOM 0 HE2 MET T 52 2.015 0.122 4.192 1.00 0.00 H new ATOM 0 HE3 MET T 52 2.588 -0.425 2.598 1.00 0.00 H new ATOM 811 N ALA T 53 3.354 5.857 3.978 1.00 0.00 N ATOM 812 CA ALA T 53 4.055 7.040 4.466 1.00 0.00 C ATOM 813 C ALA T 53 5.569 6.851 4.425 1.00 0.00 C ATOM 814 O ALA T 53 6.061 5.730 4.285 1.00 0.00 O ATOM 815 CB ALA T 53 3.602 7.374 5.879 1.00 0.00 C ATOM 0 H ALA T 53 2.599 5.535 4.584 1.00 0.00 H new ATOM 0 HA ALA T 53 3.807 7.871 3.806 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.132 8.259 6.232 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.530 7.569 5.881 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.819 6.534 6.539 1.00 0.00 H new ATOM 821 N LYS T 54 6.297 7.957 4.552 1.00 0.00 N ATOM 822 CA LYS T 54 7.758 7.932 4.535 1.00 0.00 C ATOM 823 C LYS T 54 8.296 7.815 3.111 1.00 0.00 C ATOM 824 O LYS T 54 9.355 8.356 2.793 1.00 0.00 O ATOM 825 CB LYS T 54 8.285 6.778 5.392 1.00 0.00 C ATOM 826 CG LYS T 54 8.764 7.205 6.769 1.00 0.00 C ATOM 827 CD LYS T 54 10.269 7.415 6.804 1.00 0.00 C ATOM 828 CE LYS T 54 10.775 7.579 8.227 1.00 0.00 C ATOM 829 NZ LYS T 54 10.267 6.507 9.127 1.00 0.00 N ATOM 0 H LYS T 54 5.896 8.888 4.669 1.00 0.00 H new ATOM 0 HA LYS T 54 8.109 8.875 4.954 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.497 6.034 5.507 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.107 6.293 4.866 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.262 8.128 7.058 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.486 6.447 7.502 1.00 0.00 H new ATOM 0 HD2 LYS T 54 10.767 6.566 6.335 1.00 0.00 H new ATOM 0 HD3 LYS T 54 10.528 8.299 6.221 1.00 0.00 H new ATOM 0 HE2 LYS T 54 11.865 7.567 8.228 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.467 8.551 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 9.580 6.911 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 9.804 5.768 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 11.061 6.092 9.655 1.00 0.00 H new ATOM 843 N GLY T 55 7.563 7.107 2.259 1.00 0.00 N ATOM 844 CA GLY T 55 7.989 6.935 0.882 1.00 0.00 C ATOM 845 C GLY T 55 8.388 5.502 0.594 1.00 0.00 C ATOM 846 O GLY T 55 9.059 5.224 -0.400 1.00 0.00 O ATOM 0 H GLY T 55 6.683 6.650 2.496 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.182 7.230 0.212 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.831 7.596 0.676 1.00 0.00 H new ATOM 850 N ARG T 56 7.970 4.591 1.465 1.00 0.00 N ATOM 851 CA ARG T 56 8.282 3.178 1.302 1.00 0.00 C ATOM 852 C ARG T 56 7.055 2.410 0.825 1.00 0.00 C ATOM 853 O ARG T 56 5.923 2.852 1.015 1.00 0.00 O ATOM 854 CB ARG T 56 8.786 2.592 2.623 1.00 0.00 C ATOM 855 CG ARG T 56 7.698 2.430 3.671 1.00 0.00 C ATOM 856 CD ARG T 56 8.170 2.896 5.039 1.00 0.00 C ATOM 857 NE ARG T 56 9.563 2.537 5.289 1.00 0.00 N ATOM 858 CZ ARG T 56 10.349 3.188 6.142 1.00 0.00 C ATOM 859 NH1 ARG T 56 9.881 4.226 6.820 1.00 0.00 N ATOM 860 NH2 ARG T 56 11.606 2.799 6.316 1.00 0.00 N ATOM 0 H ARG T 56 7.413 4.807 2.292 1.00 0.00 H new ATOM 0 HA ARG T 56 9.066 3.083 0.550 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.240 1.620 2.430 1.00 0.00 H new ATOM 0 HB3 ARG T 56 9.569 3.237 3.021 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.818 3.000 3.375 1.00 0.00 H new ATOM 0 HG3 ARG T 56 7.396 1.384 3.726 1.00 0.00 H new ATOM 0 HD2 ARG T 56 8.056 3.977 5.113 1.00 0.00 H new ATOM 0 HD3 ARG T 56 7.538 2.455 5.810 1.00 0.00 H new ATOM 0 HE ARG T 56 9.955 1.744 4.782 1.00 0.00 H new ATOM 0 HH11 ARG T 56 8.916 4.528 6.688 1.00 0.00 H new ATOM 0 HH12 ARG T 56 10.486 4.723 7.473 1.00 0.00 H new ATOM 0 HH21 ARG T 56 11.969 2.001 5.796 1.00 0.00 H new ATOM 0 HH22 ARG T 56 12.209 3.298 6.970 1.00 0.00 H new ATOM 874 N VAL T 57 7.285 1.260 0.201 1.00 0.00 N ATOM 875 CA VAL T 57 6.195 0.437 -0.303 1.00 0.00 C ATOM 876 C VAL T 57 6.457 -1.046 -0.051 1.00 0.00 C ATOM 877 O VAL T 57 7.496 -1.579 -0.441 1.00 0.00 O ATOM 878 CB VAL T 57 5.979 0.671 -1.810 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.288 1.041 -2.487 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.356 -0.554 -2.464 1.00 0.00 C ATOM 0 H VAL T 57 8.216 0.878 0.033 1.00 0.00 H new ATOM 0 HA VAL T 57 5.294 0.730 0.236 1.00 0.00 H new ATOM 0 HB VAL T 57 5.287 1.504 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.115 1.202 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.683 1.954 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.007 0.233 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.213 -0.365 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.016 -1.412 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.392 -0.764 -2.000 1.00 0.00 H new ATOM 890 N GLY T 58 5.502 -1.705 0.599 1.00 0.00 N ATOM 891 CA GLY T 58 5.640 -3.122 0.894 1.00 0.00 C ATOM 892 C GLY T 58 4.457 -3.927 0.396 1.00 0.00 C ATOM 893 O GLY T 58 3.633 -3.422 -0.366 1.00 0.00 O ATOM 0 H GLY T 58 4.633 -1.283 0.927 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.554 -3.500 0.435 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.744 -3.259 1.970 1.00 0.00 H new ATOM 897 N TYR T 59 4.367 -5.181 0.827 1.00 0.00 N ATOM 898 CA TYR T 59 3.266 -6.048 0.413 1.00 0.00 C ATOM 899 C TYR T 59 2.842 -6.985 1.539 1.00 0.00 C ATOM 900 O TYR T 59 3.455 -8.031 1.757 1.00 0.00 O ATOM 901 CB TYR T 59 3.653 -6.867 -0.822 1.00 0.00 C ATOM 902 CG TYR T 59 5.062 -6.609 -1.306 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.352 -5.510 -2.106 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.100 -7.468 -0.970 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.637 -5.275 -2.555 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.388 -7.238 -1.414 1.00 0.00 C ATOM 907 CZ TYR T 59 7.651 -6.141 -2.207 1.00 0.00 C ATOM 908 OH TYR T 59 8.932 -5.910 -2.653 1.00 0.00 O ATOM 0 H TYR T 59 5.038 -5.619 1.459 1.00 0.00 H new ATOM 0 HA TYR T 59 2.423 -5.404 0.164 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.546 -7.927 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR T 59 2.955 -6.644 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.560 -4.829 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR T 59 5.897 -8.330 -0.352 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.846 -4.416 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.185 -7.914 -1.141 1.00 0.00 H new ATOM 0 HH TYR T 59 9.541 -5.860 -1.887 1.00 0.00 H new ATOM 918 N PRO T 60 1.773 -6.622 2.266 1.00 0.00 N ATOM 919 CA PRO T 60 1.253 -7.430 3.369 1.00 0.00 C ATOM 920 C PRO T 60 0.325 -8.539 2.883 1.00 0.00 C ATOM 921 O PRO T 60 -0.605 -8.290 2.116 1.00 0.00 O ATOM 922 CB PRO T 60 0.478 -6.408 4.192 1.00 0.00 C ATOM 923 CG PRO T 60 0.003 -5.391 3.212 1.00 0.00 C ATOM 924 CD PRO T 60 0.985 -5.391 2.064 1.00 0.00 C ATOM 0 HA PRO T 60 2.041 -7.943 3.920 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.359 -6.875 4.711 1.00 0.00 H new ATOM 0 HB3 PRO T 60 1.112 -5.954 4.953 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -1.000 -5.633 2.861 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.050 -4.405 3.674 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.473 -5.398 1.102 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.619 -4.504 2.081 1.00 0.00 H new ATOM 932 N ILE T 61 0.583 -9.763 3.333 1.00 0.00 N ATOM 933 CA ILE T 61 -0.232 -10.907 2.941 1.00 0.00 C ATOM 934 C ILE T 61 -0.445 -11.858 4.113 1.00 0.00 C ATOM 935 O ILE T 61 0.493 -12.512 4.573 1.00 0.00 O ATOM 936 CB ILE T 61 0.411 -11.682 1.775 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.612 -10.761 0.569 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.448 -12.879 1.393 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.669 -10.446 -0.170 1.00 0.00 C ATOM 0 H ILE T 61 1.349 -9.988 3.968 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.195 -10.513 2.618 1.00 0.00 H new ATOM 0 HB ILE T 61 1.386 -12.047 2.098 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.067 -9.829 0.905 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.315 -11.228 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.021 -13.415 0.568 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.545 -13.545 2.250 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.436 -12.535 1.087 1.00 0.00 H new ATOM 0 HD11 ILE T 61 -0.451 -9.789 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -1.114 -11.371 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -1.366 -9.951 0.506 1.00 0.00 H new ATOM 951 N VAL T 62 -1.682 -11.933 4.592 1.00 0.00 N ATOM 952 CA VAL T 62 -2.016 -12.806 5.711 1.00 0.00 C ATOM 953 C VAL T 62 -1.865 -14.273 5.325 1.00 0.00 C ATOM 954 O VAL T 62 -1.359 -15.081 6.104 1.00 0.00 O ATOM 955 CB VAL T 62 -3.455 -12.564 6.207 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.511 -11.339 7.107 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.408 -12.416 5.031 1.00 0.00 C ATOM 0 H VAL T 62 -2.469 -11.400 4.223 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.319 -12.568 6.515 1.00 0.00 H new ATOM 0 HB VAL T 62 -3.769 -13.429 6.791 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.535 -11.184 7.447 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.861 -11.491 7.969 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.177 -10.463 6.551 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.419 -12.246 5.401 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.099 -11.570 4.417 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.390 -13.326 4.431 1.00 0.00 H new ATOM 1104 N THR T 73 5.541 -13.851 5.629 1.00 0.00 N ATOM 1105 CA THR T 73 4.527 -13.489 6.608 1.00 0.00 C ATOM 1106 C THR T 73 4.688 -12.041 7.060 1.00 0.00 C ATOM 1107 O THR T 73 5.791 -11.600 7.382 1.00 0.00 O ATOM 1108 CB THR T 73 4.591 -14.406 7.838 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.884 -15.017 7.928 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.520 -15.484 7.764 1.00 0.00 C ATOM 0 HA THR T 73 3.559 -13.607 6.121 1.00 0.00 H new ATOM 0 HB THR T 73 4.414 -13.799 8.726 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.363 -14.895 7.082 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.584 -16.122 8.646 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.536 -15.017 7.725 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.672 -16.087 6.868 1.00 0.00 H new ATOM 1118 N GLY T 74 3.580 -11.307 7.079 1.00 0.00 N ATOM 1119 CA GLY T 74 3.620 -9.916 7.492 1.00 0.00 C ATOM 1120 C GLY T 74 3.785 -8.981 6.311 1.00 0.00 C ATOM 1121 O GLY T 74 3.744 -9.413 5.159 1.00 0.00 O ATOM 0 H GLY T 74 2.656 -11.650 6.816 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.702 -9.669 8.025 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.444 -9.768 8.190 1.00 0.00 H new ATOM 1125 N ILE T 75 3.975 -7.697 6.595 1.00 0.00 N ATOM 1126 CA ILE T 75 4.147 -6.704 5.543 1.00 0.00 C ATOM 1127 C ILE T 75 5.569 -6.720 4.999 1.00 0.00 C ATOM 1128 O ILE T 75 6.474 -6.127 5.584 1.00 0.00 O ATOM 1129 CB ILE T 75 3.831 -5.285 6.045 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.586 -5.299 6.938 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.654 -4.338 4.867 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.543 -4.268 6.562 1.00 0.00 C ATOM 0 H ILE T 75 4.014 -7.321 7.542 1.00 0.00 H new ATOM 0 HA ILE T 75 3.447 -6.968 4.750 1.00 0.00 H new ATOM 0 HB ILE T 75 4.668 -4.927 6.644 1.00 0.00 H new ATOM 0 HG12 ILE T 75 2.133 -6.290 6.896 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.891 -5.131 7.971 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.431 -3.337 5.235 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.572 -4.312 4.280 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.832 -4.686 4.241 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.695 -4.344 7.242 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.976 -3.270 6.632 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.206 -4.447 5.541 1.00 0.00 H new ATOM 1144 N ILE T 76 5.757 -7.397 3.874 1.00 0.00 N ATOM 1145 CA ILE T 76 7.068 -7.480 3.250 1.00 0.00 C ATOM 1146 C ILE T 76 7.465 -6.137 2.646 1.00 0.00 C ATOM 1147 O ILE T 76 7.337 -5.922 1.442 1.00 0.00 O ATOM 1148 CB ILE T 76 7.105 -8.563 2.153 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.574 -9.891 2.698 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.520 -8.731 1.622 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.135 -10.260 4.055 1.00 0.00 C ATOM 0 H ILE T 76 5.019 -7.895 3.377 1.00 0.00 H new ATOM 0 HA ILE T 76 7.778 -7.751 4.031 1.00 0.00 H new ATOM 0 HB ILE T 76 6.464 -8.247 1.330 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.487 -9.837 2.766 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.810 -10.685 1.989 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.530 -9.499 0.848 1.00 0.00 H new ATOM 0 HG22 ILE T 76 8.865 -7.787 1.200 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.181 -9.028 2.436 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.713 -11.212 4.376 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.219 -10.347 3.989 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.877 -9.486 4.778 1.00 0.00 H new ATOM 1163 N ASP T 77 7.941 -5.233 3.499 1.00 0.00 N ATOM 1164 CA ASP T 77 8.352 -3.906 3.061 1.00 0.00 C ATOM 1165 C ASP T 77 9.869 -3.762 3.114 1.00 0.00 C ATOM 1166 O ASP T 77 10.475 -3.856 4.181 1.00 0.00 O ATOM 1167 CB ASP T 77 7.694 -2.833 3.931 1.00 0.00 C ATOM 1168 CG ASP T 77 8.465 -1.529 3.931 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.410 -0.806 2.914 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.125 -1.229 4.949 1.00 0.00 O ATOM 0 H ASP T 77 8.051 -5.398 4.500 1.00 0.00 H new ATOM 0 HA ASP T 77 8.029 -3.774 2.028 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.681 -2.652 3.573 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.610 -3.201 4.954 1.00 0.00 H new ATOM 1175 N TYR T 78 10.477 -3.537 1.954 1.00 0.00 N ATOM 1176 CA TYR T 78 11.921 -3.385 1.861 1.00 0.00 C ATOM 1177 C TYR T 78 12.346 -1.971 2.242 1.00 0.00 C ATOM 1178 O TYR T 78 13.491 -1.576 2.020 1.00 0.00 O ATOM 1179 CB TYR T 78 12.383 -3.707 0.442 1.00 0.00 C ATOM 1180 CG TYR T 78 12.065 -5.120 0.006 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.771 -5.618 0.090 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.059 -5.955 -0.490 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.476 -6.907 -0.306 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.770 -7.247 -0.889 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.478 -7.718 -0.795 1.00 0.00 C ATOM 1186 OH TYR T 78 11.187 -9.003 -1.191 1.00 0.00 O ATOM 0 H TYR T 78 9.988 -3.456 1.063 1.00 0.00 H new ATOM 0 HA TYR T 78 12.388 -4.079 2.560 1.00 0.00 H new ATOM 0 HB2 TYR T 78 11.914 -3.008 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.459 -3.549 0.375 1.00 0.00 H new ATOM 0 HD1 TYR T 78 9.983 -4.986 0.472 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.072 -5.589 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.465 -7.279 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.553 -7.884 -1.273 1.00 0.00 H new ATOM 0 HH TYR T 78 12.004 -9.439 -1.511 1.00 0.00 H new ATOM 1196 N GLY T 79 11.417 -1.212 2.814 1.00 0.00 N ATOM 1197 CA GLY T 79 11.716 0.151 3.214 1.00 0.00 C ATOM 1198 C GLY T 79 11.932 1.038 2.004 1.00 0.00 C ATOM 1199 O GLY T 79 12.039 0.549 0.879 1.00 0.00 O ATOM 0 H GLY T 79 10.463 -1.516 3.008 1.00 0.00 H new ATOM 0 HA2 GLY T 79 10.897 0.545 3.816 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.607 0.162 3.841 1.00 0.00 H new ATOM 1203 N ILE T 80 11.997 2.345 2.233 1.00 0.00 N ATOM 1204 CA ILE T 80 12.202 3.301 1.159 1.00 0.00 C ATOM 1205 C ILE T 80 13.424 2.942 0.327 1.00 0.00 C ATOM 1206 O ILE T 80 14.476 2.589 0.863 1.00 0.00 O ATOM 1207 CB ILE T 80 12.370 4.719 1.720 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.374 4.944 2.853 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.190 5.755 0.621 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.516 6.286 3.535 1.00 0.00 C ATOM 0 H ILE T 80 11.910 2.765 3.158 1.00 0.00 H new ATOM 0 HA ILE T 80 11.319 3.267 0.520 1.00 0.00 H new ATOM 0 HB ILE T 80 13.380 4.829 2.116 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.362 4.853 2.458 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.498 4.155 3.595 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.313 6.754 1.039 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.936 5.593 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.192 5.661 0.193 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.774 6.371 4.329 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.515 6.373 3.962 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.362 7.082 2.807 1.00 0.00 H new ATOM 1222 N ARG T 81 13.275 3.035 -0.986 1.00 0.00 N ATOM 1223 CA ARG T 81 14.363 2.720 -1.905 1.00 0.00 C ATOM 1224 C ARG T 81 14.768 3.948 -2.715 1.00 0.00 C ATOM 1225 O ARG T 81 15.434 3.831 -3.744 1.00 0.00 O ATOM 1226 CB ARG T 81 13.949 1.588 -2.847 1.00 0.00 C ATOM 1227 CG ARG T 81 13.283 0.420 -2.137 1.00 0.00 C ATOM 1228 CD ARG T 81 14.295 -0.425 -1.380 1.00 0.00 C ATOM 1229 NE ARG T 81 14.996 -1.356 -2.259 1.00 0.00 N ATOM 1230 CZ ARG T 81 15.891 -2.241 -1.832 1.00 0.00 C ATOM 1231 NH1 ARG T 81 16.191 -2.315 -0.542 1.00 0.00 N ATOM 1232 NH2 ARG T 81 16.488 -3.053 -2.694 1.00 0.00 N ATOM 0 H ARG T 81 12.410 3.326 -1.441 1.00 0.00 H new ATOM 0 HA ARG T 81 15.221 2.399 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.266 1.983 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.830 1.226 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.531 0.796 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.762 -0.201 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG T 81 15.019 0.227 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.786 -0.982 -0.593 1.00 0.00 H new ATOM 0 HE ARG T 81 14.787 -1.326 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.735 -1.692 0.124 1.00 0.00 H new ATOM 0 HH12 ARG T 81 16.878 -2.995 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG T 81 16.261 -2.999 -3.687 1.00 0.00 H new ATOM 0 HH22 ARG T 81 17.175 -3.731 -2.364 1.00 0.00 H new ATOM 1246 N LEU T 82 14.363 5.123 -2.244 1.00 0.00 N ATOM 1247 CA LEU T 82 14.686 6.373 -2.926 1.00 0.00 C ATOM 1248 C LEU T 82 14.352 6.286 -4.410 1.00 0.00 C ATOM 1249 O LEU T 82 15.178 6.606 -5.263 1.00 0.00 O ATOM 1250 CB LEU T 82 16.164 6.712 -2.744 1.00 0.00 C ATOM 1251 CG LEU T 82 16.462 7.901 -1.826 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.486 9.196 -2.623 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.440 7.985 -0.704 1.00 0.00 C ATOM 0 H LEU T 82 13.811 5.237 -1.394 1.00 0.00 H new ATOM 0 HA LEU T 82 14.082 7.164 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.674 5.834 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.595 6.916 -3.724 1.00 0.00 H new ATOM 0 HG LEU T 82 17.445 7.750 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.699 10.030 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU T 82 17.259 9.138 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.517 9.349 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.671 8.837 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.444 8.109 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.471 7.069 -0.114 1.00 0.00 H new ATOM 1265 N ASN T 83 13.133 5.849 -4.711 1.00 0.00 N ATOM 1266 CA ASN T 83 12.688 5.720 -6.093 1.00 0.00 C ATOM 1267 C ASN T 83 11.166 5.752 -6.178 1.00 0.00 C ATOM 1268 O ASN T 83 10.545 4.836 -6.716 1.00 0.00 O ATOM 1269 CB ASN T 83 13.219 4.422 -6.703 1.00 0.00 C ATOM 1270 CG ASN T 83 13.179 4.441 -8.219 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.812 3.453 -8.854 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.560 5.570 -8.808 1.00 0.00 N ATOM 0 H ASN T 83 12.437 5.579 -4.016 1.00 0.00 H new ATOM 0 HA ASN T 83 13.083 6.565 -6.657 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.244 4.260 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.628 3.582 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.555 5.641 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN T 83 13.857 6.365 -8.242 1.00 0.00 H new ATOM 1279 N ARG T 84 10.572 6.815 -5.643 1.00 0.00 N ATOM 1280 CA ARG T 84 9.125 6.969 -5.660 1.00 0.00 C ATOM 1281 C ARG T 84 8.586 6.895 -7.084 1.00 0.00 C ATOM 1282 O ARG T 84 7.379 6.773 -7.296 1.00 0.00 O ATOM 1283 CB ARG T 84 8.732 8.301 -5.019 1.00 0.00 C ATOM 1284 CG ARG T 84 9.480 8.603 -3.730 1.00 0.00 C ATOM 1285 CD ARG T 84 10.060 10.008 -3.732 1.00 0.00 C ATOM 1286 NE ARG T 84 11.518 10.001 -3.656 1.00 0.00 N ATOM 1287 CZ ARG T 84 12.294 10.859 -4.311 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.752 11.789 -5.085 1.00 0.00 N ATOM 1289 NH2 ARG T 84 13.612 10.788 -4.193 1.00 0.00 N ATOM 0 H ARG T 84 11.073 7.581 -5.193 1.00 0.00 H new ATOM 0 HA ARG T 84 8.687 6.152 -5.086 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.915 9.105 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.661 8.294 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.804 8.490 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.283 7.878 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.747 10.527 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.656 10.568 -2.888 1.00 0.00 H new ATOM 0 HE ARG T 84 11.966 9.299 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.738 11.847 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG T 84 12.349 12.446 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG T 84 14.033 10.074 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG T 84 14.205 11.447 -4.697 1.00 0.00 H new ATOM 1303 N SER T 85 9.489 6.969 -8.056 1.00 0.00 N ATOM 1304 CA SER T 85 9.107 6.908 -9.461 1.00 0.00 C ATOM 1305 C SER T 85 8.803 5.474 -9.884 1.00 0.00 C ATOM 1306 O SER T 85 8.739 5.168 -11.075 1.00 0.00 O ATOM 1307 CB SER T 85 10.219 7.486 -10.338 1.00 0.00 C ATOM 1308 OG SER T 85 9.700 8.408 -11.281 1.00 0.00 O ATOM 0 H SER T 85 10.491 7.071 -7.896 1.00 0.00 H new ATOM 0 HA SER T 85 8.203 7.503 -9.591 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.960 7.981 -9.711 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.732 6.678 -10.860 1.00 0.00 H new ATOM 0 HG SER T 85 10.432 8.764 -11.828 1.00 0.00 H new ATOM 1314 N GLU T 86 8.614 4.599 -8.901 1.00 0.00 N ATOM 1315 CA GLU T 86 8.314 3.200 -9.172 1.00 0.00 C ATOM 1316 C GLU T 86 6.846 3.031 -9.545 1.00 0.00 C ATOM 1317 O GLU T 86 6.131 4.014 -9.735 1.00 0.00 O ATOM 1318 CB GLU T 86 8.651 2.344 -7.952 1.00 0.00 C ATOM 1319 CG GLU T 86 10.128 2.006 -7.835 1.00 0.00 C ATOM 1320 CD GLU T 86 10.430 0.569 -8.209 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.926 0.109 -9.256 1.00 0.00 O ATOM 1322 OE2 GLU T 86 11.171 -0.098 -7.456 1.00 0.00 O ATOM 0 H GLU T 86 8.664 4.836 -7.910 1.00 0.00 H new ATOM 0 HA GLU T 86 8.924 2.871 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.335 2.870 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU T 86 8.078 1.418 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.701 2.673 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.458 2.188 -6.812 1.00 0.00 H new ATOM 1329 N ARG T 87 6.398 1.784 -9.651 1.00 0.00 N ATOM 1330 CA ARG T 87 5.011 1.511 -10.006 1.00 0.00 C ATOM 1331 C ARG T 87 4.414 0.409 -9.139 1.00 0.00 C ATOM 1332 O ARG T 87 4.808 -0.754 -9.230 1.00 0.00 O ATOM 1333 CB ARG T 87 4.899 1.124 -11.477 1.00 0.00 C ATOM 1334 CG ARG T 87 5.978 0.165 -11.946 1.00 0.00 C ATOM 1335 CD ARG T 87 5.392 -1.168 -12.386 1.00 0.00 C ATOM 1336 NE ARG T 87 6.256 -2.288 -12.024 1.00 0.00 N ATOM 1337 CZ ARG T 87 6.584 -3.267 -12.863 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.121 -3.263 -14.105 1.00 0.00 N ATOM 1339 NH2 ARG T 87 7.373 -4.253 -12.457 1.00 0.00 N ATOM 0 H ARG T 87 6.970 0.953 -9.498 1.00 0.00 H new ATOM 0 HA ARG T 87 4.447 2.427 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.923 0.670 -11.649 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.942 2.028 -12.084 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.528 0.612 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.694 0.000 -11.141 1.00 0.00 H new ATOM 0 HD2 ARG T 87 4.412 -1.303 -11.928 1.00 0.00 H new ATOM 0 HD3 ARG T 87 5.241 -1.160 -13.465 1.00 0.00 H new ATOM 0 HE ARG T 87 6.629 -2.322 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG T 87 5.512 -2.508 -14.420 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.374 -4.015 -14.746 1.00 0.00 H new ATOM 0 HH21 ARG T 87 7.729 -4.261 -11.501 1.00 0.00 H new ATOM 0 HH22 ARG T 87 7.624 -5.003 -13.101 1.00 0.00 H new ATOM 1353 N TRP T 88 3.445 0.789 -8.315 1.00 0.00 N ATOM 1354 CA TRP T 88 2.755 -0.146 -7.430 1.00 0.00 C ATOM 1355 C TRP T 88 1.379 0.397 -7.067 1.00 0.00 C ATOM 1356 O TRP T 88 1.003 1.489 -7.490 1.00 0.00 O ATOM 1357 CB TRP T 88 3.554 -0.389 -6.143 1.00 0.00 C ATOM 1358 CG TRP T 88 5.039 -0.328 -6.320 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.853 0.733 -6.051 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.891 -1.378 -6.794 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.158 0.411 -6.332 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.208 -0.880 -6.790 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.669 -2.689 -7.223 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.296 -1.648 -7.198 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.750 -3.451 -7.627 1.00 0.00 C ATOM 1366 CH2 TRP T 88 8.049 -2.928 -7.612 1.00 0.00 C ATOM 0 H TRP T 88 3.115 1.751 -8.240 1.00 0.00 H new ATOM 0 HA TRP T 88 2.654 -1.092 -7.962 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.258 0.351 -5.400 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.287 -1.367 -5.743 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.520 1.688 -5.672 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.960 1.031 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.670 -3.100 -7.239 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.299 -1.247 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.590 -4.466 -7.959 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.873 -3.548 -7.934 1.00 0.00 H new ATOM 1377 N ASP T 89 0.636 -0.363 -6.271 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.688 0.055 -5.844 1.00 0.00 C ATOM 1379 C ASP T 89 -0.583 1.159 -4.798 1.00 0.00 C ATOM 1380 O ASP T 89 0.501 1.695 -4.557 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.461 -1.133 -5.276 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.204 -2.405 -6.057 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.032 -2.833 -6.126 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.173 -2.975 -6.602 1.00 0.00 O ATOM 0 H ASP T 89 0.930 -1.271 -5.910 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.225 0.442 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.178 -1.284 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.528 -0.910 -5.288 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.707 1.498 -4.182 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.725 2.543 -3.170 1.00 0.00 C ATOM 1391 C ALA T 90 -2.744 2.247 -2.076 1.00 0.00 C ATOM 1392 O ALA T 90 -3.896 1.920 -2.362 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.027 3.886 -3.815 1.00 0.00 C ATOM 0 H ALA T 90 -2.613 1.067 -4.364 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.739 2.577 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.039 4.663 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.259 4.116 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.000 3.844 -4.304 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.319 2.380 -0.825 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.199 2.146 0.309 1.00 0.00 C ATOM 1401 C TYR T 91 -3.820 3.462 0.759 1.00 0.00 C ATOM 1402 O TYR T 91 -3.114 4.369 1.198 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.421 1.511 1.461 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.120 0.041 1.267 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.138 -0.907 1.251 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.813 -0.401 1.101 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.861 -2.248 1.074 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.529 -1.742 0.923 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.557 -2.660 0.910 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.279 -3.996 0.733 1.00 0.00 O ATOM 0 H TYR T 91 -1.368 2.649 -0.572 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.992 1.462 0.007 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.482 2.049 1.591 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.990 1.636 2.382 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.162 -0.589 1.379 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.005 0.316 1.111 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.663 -2.971 1.064 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.492 -2.069 0.795 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.599 -4.099 0.035 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.137 3.570 0.635 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.836 4.790 1.021 1.00 0.00 C ATOM 1422 C CYS T 92 -6.259 4.747 2.483 1.00 0.00 C ATOM 1423 O CYS T 92 -6.485 3.676 3.047 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.053 5.008 0.124 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.691 5.929 -1.406 1.00 0.00 S ATOM 0 H CYS T 92 -5.740 2.832 0.272 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.147 5.626 0.896 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.476 4.038 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.815 5.546 0.688 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.353 5.923 3.092 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.738 6.037 4.488 1.00 0.00 C ATOM 1432 C TYR T 93 -7.502 7.332 4.739 1.00 0.00 C ATOM 1433 O TYR T 93 -6.969 8.425 4.543 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.494 5.998 5.374 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.809 6.027 6.852 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.275 7.186 7.457 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.637 4.897 7.642 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.562 7.224 8.806 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.922 4.924 8.995 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.384 6.090 9.572 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.669 6.122 10.918 1.00 0.00 O ATOM 0 H TYR T 93 -6.166 6.815 2.635 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.389 5.197 4.732 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.925 5.096 5.149 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.856 6.847 5.129 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.416 8.075 6.860 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.275 3.984 7.193 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.924 8.135 9.259 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.784 4.038 9.597 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.491 5.242 11.311 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.744 7.206 5.183 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.572 8.371 5.472 1.00 0.00 C ATOM 1453 C ASN T 94 -10.242 8.225 6.831 1.00 0.00 C ATOM 1454 O ASN T 94 -10.671 7.134 7.208 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.632 8.561 4.386 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.034 8.729 3.004 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.846 9.018 2.858 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.858 8.548 1.979 1.00 0.00 N ATOM 0 H ASN T 94 -9.202 6.310 5.351 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.927 9.250 5.490 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.302 7.701 4.385 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.237 9.436 4.624 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.514 8.648 1.024 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.835 8.309 2.146 1.00 0.00 H new