USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -38:sc= -0.328 USER MOD Set 1.2: A 38 THR OG1 : rot -78:sc= 0.902 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.232) USER MOD Set 2.2: A 78 THR OG1 : rot -103:sc= 1.03 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0439) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 13 THR OG1 : rot 69:sc= 0.957 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0949) USER MOD Single : A 20 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= 0.298 K(o=0.3,f=-3.6!) USER MOD Single : A 22 HIS : no HD1:sc=-0.00245 X(o=-0.0024,f=-0.0048) USER MOD Single : A 23 SER OG : rot 180:sc= 0.103 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.284 USER MOD Single : A 31 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.793) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.814 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 54 GLN : amide:sc= 0.402 K(o=0.4,f=-0.73) USER MOD Single : A 60 THR OG1 : rot 126:sc= 1.76 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.65) USER MOD Single : A 69 SER OG : rot -92:sc= 0.102 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 76 SER OG : rot 180:sc= -0.423 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0112 (180deg=-0.159) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.854 (180deg=-1.35!) USER MOD Single : A 96 MET CE :methyl 149:sc= 0 (180deg=-0.281) USER MOD Single : A 98 THR OG1 : rot 180:sc=0.000455 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.295 -12.012 17.238 1.00 0.86 N ATOM 21 CA ALA A 2 17.283 -11.031 16.869 1.00 0.87 C ATOM 22 C ALA A 2 17.457 -10.599 15.421 1.00 0.72 C ATOM 23 O ALA A 2 17.476 -9.407 15.113 1.00 0.87 O ATOM 24 CB ALA A 2 17.350 -9.827 17.801 1.00 1.10 C ATOM 0 HA ALA A 2 16.301 -11.492 16.969 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.588 -9.102 17.514 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.174 -10.151 18.827 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.335 -9.366 17.730 1.00 1.10 H new ATOM 30 N ALA A 3 17.594 -11.574 14.537 1.00 0.71 N ATOM 31 CA ALA A 3 17.761 -11.302 13.116 1.00 0.72 C ATOM 32 C ALA A 3 17.246 -12.469 12.287 1.00 0.70 C ATOM 33 O ALA A 3 17.759 -13.585 12.384 1.00 1.05 O ATOM 34 CB ALA A 3 19.223 -11.021 12.794 1.00 0.96 C ATOM 0 H ALA A 3 17.593 -12.565 14.778 1.00 0.71 H new ATOM 0 HA ALA A 3 17.178 -10.416 12.864 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.329 -10.820 11.728 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.561 -10.154 13.362 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.828 -11.888 13.061 1.00 0.96 H new ATOM 40 N GLN A 4 16.226 -12.220 11.482 1.00 0.66 N ATOM 41 CA GLN A 4 15.656 -13.262 10.646 1.00 0.68 C ATOM 42 C GLN A 4 15.371 -12.722 9.246 1.00 0.66 C ATOM 43 O GLN A 4 15.130 -11.525 9.069 1.00 0.81 O ATOM 44 CB GLN A 4 14.370 -13.827 11.273 1.00 0.83 C ATOM 45 CG GLN A 4 13.156 -12.921 11.135 1.00 0.97 C ATOM 46 CD GLN A 4 12.878 -12.096 12.378 1.00 1.33 C ATOM 47 OE1 GLN A 4 13.788 -11.755 13.135 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.615 -11.778 12.607 1.00 1.63 N ATOM 0 H GLN A 4 15.778 -11.308 11.390 1.00 0.66 H new ATOM 0 HA GLN A 4 16.381 -14.072 10.569 1.00 0.68 H new ATOM 0 HB2 GLN A 4 14.146 -14.788 10.810 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.549 -14.017 12.331 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.306 -12.251 10.289 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.281 -13.530 10.908 1.00 0.97 H new ATOM 0 HE21 GLN A 4 10.888 -12.078 11.958 1.00 1.63 H new ATOM 0 HE22 GLN A 4 11.368 -11.233 13.433 1.00 1.63 H new ATOM 57 N SER A 5 15.415 -13.603 8.258 1.00 0.71 N ATOM 58 CA SER A 5 15.155 -13.224 6.877 1.00 0.76 C ATOM 59 C SER A 5 14.034 -14.085 6.301 1.00 0.73 C ATOM 60 O SER A 5 14.280 -15.038 5.558 1.00 1.11 O ATOM 61 CB SER A 5 16.426 -13.369 6.039 1.00 0.98 C ATOM 62 OG SER A 5 17.558 -12.882 6.745 1.00 1.18 O ATOM 0 H SER A 5 15.630 -14.592 8.388 1.00 0.71 H new ATOM 0 HA SER A 5 14.842 -12.180 6.850 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.578 -14.417 5.780 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.313 -12.822 5.103 1.00 0.98 H new ATOM 0 HG SER A 5 18.359 -12.986 6.190 1.00 1.18 H new ATOM 68 N ASP A 6 12.804 -13.757 6.673 1.00 0.62 N ATOM 69 CA ASP A 6 11.642 -14.498 6.207 1.00 0.68 C ATOM 70 C ASP A 6 10.658 -13.569 5.519 1.00 0.58 C ATOM 71 O ASP A 6 9.960 -12.794 6.172 1.00 0.80 O ATOM 72 CB ASP A 6 10.950 -15.211 7.372 1.00 0.89 C ATOM 73 CG ASP A 6 11.448 -16.624 7.567 1.00 1.54 C ATOM 74 OD1 ASP A 6 12.457 -16.814 8.276 1.00 2.18 O ATOM 75 OD2 ASP A 6 10.829 -17.560 7.016 1.00 1.98 O ATOM 0 H ASP A 6 12.586 -12.981 7.298 1.00 0.62 H new ATOM 0 HA ASP A 6 11.985 -15.245 5.491 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.112 -14.643 8.288 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.875 -15.230 7.194 1.00 0.89 H new ATOM 80 N LYS A 7 10.617 -13.639 4.198 1.00 0.54 N ATOM 81 CA LYS A 7 9.710 -12.811 3.417 1.00 0.58 C ATOM 82 C LYS A 7 8.547 -13.658 2.921 1.00 0.53 C ATOM 83 O LYS A 7 8.746 -14.633 2.197 1.00 0.85 O ATOM 84 CB LYS A 7 10.438 -12.164 2.236 1.00 0.81 C ATOM 85 CG LYS A 7 11.503 -11.155 2.645 1.00 1.05 C ATOM 86 CD LYS A 7 10.910 -9.969 3.394 1.00 1.24 C ATOM 87 CE LYS A 7 11.934 -8.855 3.555 1.00 1.58 C ATOM 88 NZ LYS A 7 11.465 -7.781 4.471 1.00 1.91 N ATOM 0 H LYS A 7 11.203 -14.262 3.642 1.00 0.54 H new ATOM 0 HA LYS A 7 9.330 -12.012 4.054 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.904 -12.946 1.636 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.706 -11.667 1.599 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.245 -11.647 3.274 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.024 -10.798 1.757 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.040 -9.593 2.855 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.562 -10.292 4.375 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.865 -9.274 3.937 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.155 -8.425 2.578 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.086 -6.952 4.380 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 10.491 -7.513 4.222 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.489 -8.126 5.452 1.00 1.91 H new ATOM 102 N ASP A 8 7.340 -13.295 3.326 1.00 0.50 N ATOM 103 CA ASP A 8 6.147 -14.032 2.931 1.00 0.54 C ATOM 104 C ASP A 8 5.163 -13.115 2.215 1.00 0.51 C ATOM 105 O ASP A 8 5.073 -11.929 2.530 1.00 0.83 O ATOM 106 CB ASP A 8 5.481 -14.658 4.163 1.00 0.75 C ATOM 107 CG ASP A 8 4.181 -15.361 3.832 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.199 -16.289 2.994 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.134 -14.995 4.414 1.00 1.72 O ATOM 0 H ASP A 8 7.159 -12.493 3.929 1.00 0.50 H new ATOM 0 HA ASP A 8 6.443 -14.826 2.245 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.168 -15.370 4.620 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.290 -13.880 4.902 1.00 0.75 H new ATOM 114 N VAL A 9 4.436 -13.661 1.252 1.00 0.39 N ATOM 115 CA VAL A 9 3.461 -12.888 0.504 1.00 0.35 C ATOM 116 C VAL A 9 2.044 -13.186 1.003 1.00 0.33 C ATOM 117 O VAL A 9 1.453 -14.216 0.678 1.00 0.44 O ATOM 118 CB VAL A 9 3.576 -13.153 -1.023 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.666 -14.645 -1.322 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.416 -12.525 -1.783 1.00 0.47 C ATOM 0 H VAL A 9 4.504 -14.639 0.971 1.00 0.39 H new ATOM 0 HA VAL A 9 3.672 -11.832 0.671 1.00 0.35 H new ATOM 0 HB VAL A 9 4.498 -12.683 -1.364 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.745 -14.796 -2.399 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.545 -15.062 -0.831 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.772 -15.145 -0.950 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.526 -12.729 -2.848 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.477 -12.949 -1.428 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.414 -11.448 -1.618 1.00 0.47 H new ATOM 130 N LYS A 10 1.511 -12.287 1.817 1.00 0.30 N ATOM 131 CA LYS A 10 0.170 -12.457 2.351 1.00 0.34 C ATOM 132 C LYS A 10 -0.852 -11.859 1.394 1.00 0.34 C ATOM 133 O LYS A 10 -0.665 -10.760 0.876 1.00 0.48 O ATOM 134 CB LYS A 10 0.056 -11.803 3.729 1.00 0.42 C ATOM 135 CG LYS A 10 -1.025 -12.421 4.602 1.00 0.93 C ATOM 136 CD LYS A 10 -1.138 -11.707 5.940 1.00 0.98 C ATOM 137 CE LYS A 10 -1.900 -12.542 6.960 1.00 1.27 C ATOM 138 NZ LYS A 10 -3.264 -12.894 6.493 1.00 1.97 N ATOM 0 H LYS A 10 1.985 -11.436 2.121 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.031 -13.523 2.459 1.00 0.34 H new ATOM 0 HB2 LYS A 10 1.015 -11.881 4.241 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.152 -10.741 3.603 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.982 -12.377 4.083 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -0.801 -13.475 4.769 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.141 -11.488 6.321 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.643 -10.751 5.801 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.343 -13.455 7.168 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.970 -11.991 7.898 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -3.791 -13.343 7.269 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -3.761 -12.032 6.190 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -3.197 -13.554 5.692 1.00 1.97 H new ATOM 152 N TYR A 11 -1.924 -12.586 1.144 1.00 0.34 N ATOM 153 CA TYR A 11 -2.960 -12.110 0.245 1.00 0.35 C ATOM 154 C TYR A 11 -3.980 -11.277 1.006 1.00 0.33 C ATOM 155 O TYR A 11 -4.775 -11.800 1.788 1.00 0.39 O ATOM 156 CB TYR A 11 -3.636 -13.284 -0.463 1.00 0.43 C ATOM 157 CG TYR A 11 -3.162 -13.484 -1.886 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.864 -13.162 -2.262 1.00 0.85 C ATOM 159 CD2 TYR A 11 -4.017 -13.993 -2.854 1.00 0.81 C ATOM 160 CE1 TYR A 11 -1.432 -13.343 -3.562 1.00 0.96 C ATOM 161 CE2 TYR A 11 -3.592 -14.179 -4.156 1.00 0.95 C ATOM 162 CZ TYR A 11 -2.300 -13.852 -4.505 1.00 0.83 C ATOM 163 OH TYR A 11 -1.876 -14.036 -5.801 1.00 1.03 O ATOM 0 H TYR A 11 -2.101 -13.505 1.549 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.499 -11.477 -0.513 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.451 -14.196 0.105 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.714 -13.124 -0.467 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.181 -12.764 -1.526 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -5.031 -14.248 -2.585 1.00 0.81 H new ATOM 0 HE1 TYR A 11 -0.420 -13.087 -3.838 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -4.269 -14.579 -4.896 1.00 0.95 H new ATOM 0 HH TYR A 11 -2.610 -14.403 -6.336 1.00 1.03 H new ATOM 173 N TYR A 12 -3.945 -9.979 0.773 1.00 0.37 N ATOM 174 CA TYR A 12 -4.846 -9.054 1.432 1.00 0.41 C ATOM 175 C TYR A 12 -6.069 -8.786 0.567 1.00 0.42 C ATOM 176 O TYR A 12 -6.030 -8.936 -0.655 1.00 0.45 O ATOM 177 CB TYR A 12 -4.132 -7.736 1.727 1.00 0.45 C ATOM 178 CG TYR A 12 -3.017 -7.843 2.745 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.284 -7.792 4.106 1.00 0.77 C ATOM 180 CD2 TYR A 12 -1.696 -7.985 2.339 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.268 -7.883 5.035 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.672 -8.077 3.263 1.00 0.82 C ATOM 183 CZ TYR A 12 -0.964 -8.026 4.609 1.00 0.82 C ATOM 184 OH TYR A 12 0.051 -8.117 5.535 1.00 1.02 O ATOM 0 H TYR A 12 -3.294 -9.538 0.124 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.168 -9.507 2.370 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.722 -7.343 0.797 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -4.865 -7.012 2.083 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.304 -7.679 4.443 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.465 -8.024 1.285 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.493 -7.842 6.091 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.350 -8.188 2.932 1.00 0.82 H new ATOM 0 HH TYR A 12 0.778 -8.663 5.170 1.00 1.02 H new ATOM 194 N THR A 13 -7.150 -8.399 1.214 1.00 0.47 N ATOM 195 CA THR A 13 -8.392 -8.089 0.527 1.00 0.51 C ATOM 196 C THR A 13 -8.541 -6.572 0.391 1.00 0.47 C ATOM 197 O THR A 13 -7.984 -5.821 1.196 1.00 0.46 O ATOM 198 CB THR A 13 -9.598 -8.680 1.287 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.140 -9.648 2.248 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.576 -9.346 0.331 1.00 0.86 C ATOM 0 H THR A 13 -7.195 -8.290 2.227 1.00 0.47 H new ATOM 0 HA THR A 13 -8.365 -8.537 -0.466 1.00 0.51 H new ATOM 0 HB THR A 13 -10.111 -7.863 1.795 1.00 0.62 H new ATOM 0 HG1 THR A 13 -8.654 -9.191 2.966 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.415 -9.753 0.895 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.942 -8.611 -0.385 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.072 -10.152 -0.202 1.00 0.86 H new ATOM 208 N LEU A 14 -9.280 -6.127 -0.618 1.00 0.50 N ATOM 209 CA LEU A 14 -9.477 -4.697 -0.860 1.00 0.51 C ATOM 210 C LEU A 14 -10.047 -3.987 0.366 1.00 0.48 C ATOM 211 O LEU A 14 -9.521 -2.962 0.803 1.00 0.51 O ATOM 212 CB LEU A 14 -10.408 -4.485 -2.055 1.00 0.58 C ATOM 213 CG LEU A 14 -10.605 -3.026 -2.481 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.323 -2.459 -3.079 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.760 -2.905 -3.468 1.00 0.95 C ATOM 0 H LEU A 14 -9.755 -6.735 -1.285 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.499 -4.266 -1.076 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.015 -5.044 -2.904 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.382 -4.911 -1.816 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.852 -2.443 -1.594 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.487 -1.423 -3.374 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.525 -2.504 -2.338 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.039 -3.045 -3.953 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.883 -1.861 -3.758 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.547 -3.505 -4.353 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.677 -3.262 -3.000 1.00 0.95 H new ATOM 227 N GLU A 15 -11.107 -4.544 0.933 1.00 0.50 N ATOM 228 CA GLU A 15 -11.753 -3.953 2.099 1.00 0.53 C ATOM 229 C GLU A 15 -10.964 -4.238 3.374 1.00 0.51 C ATOM 230 O GLU A 15 -11.334 -3.796 4.456 1.00 0.61 O ATOM 231 CB GLU A 15 -13.187 -4.480 2.240 1.00 0.61 C ATOM 232 CG GLU A 15 -13.270 -5.981 2.482 1.00 0.67 C ATOM 233 CD GLU A 15 -13.355 -6.775 1.199 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.364 -6.804 0.443 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.418 -7.373 0.940 1.00 1.05 O ATOM 0 H GLU A 15 -11.540 -5.407 0.604 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.782 -2.873 1.952 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.675 -3.961 3.065 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.744 -4.236 1.336 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.395 -6.303 3.046 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -14.143 -6.198 3.097 1.00 0.67 H new ATOM 242 N GLU A 16 -9.871 -4.968 3.239 1.00 0.46 N ATOM 243 CA GLU A 16 -9.040 -5.312 4.380 1.00 0.50 C ATOM 244 C GLU A 16 -7.903 -4.307 4.546 1.00 0.46 C ATOM 245 O GLU A 16 -7.651 -3.810 5.648 1.00 0.51 O ATOM 246 CB GLU A 16 -8.487 -6.725 4.204 1.00 0.58 C ATOM 247 CG GLU A 16 -7.487 -7.142 5.268 1.00 1.05 C ATOM 248 CD GLU A 16 -6.853 -8.482 4.965 1.00 1.60 C ATOM 249 OE1 GLU A 16 -7.068 -9.010 3.851 1.00 2.19 O ATOM 250 OE2 GLU A 16 -6.140 -9.018 5.839 1.00 2.32 O ATOM 0 H GLU A 16 -9.537 -5.335 2.348 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.650 -5.278 5.283 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.318 -7.431 4.206 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -8.011 -6.797 3.226 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.708 -6.384 5.349 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -7.987 -7.189 6.235 1.00 1.05 H new ATOM 257 N ILE A 17 -7.225 -4.002 3.447 1.00 0.42 N ATOM 258 CA ILE A 17 -6.110 -3.058 3.480 1.00 0.44 C ATOM 259 C ILE A 17 -6.590 -1.632 3.727 1.00 0.43 C ATOM 260 O ILE A 17 -5.974 -0.889 4.492 1.00 0.48 O ATOM 261 CB ILE A 17 -5.256 -3.096 2.190 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.128 -3.238 0.942 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.244 -4.225 2.260 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.378 -1.933 0.221 1.00 0.98 C ATOM 0 H ILE A 17 -7.424 -4.391 2.525 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.480 -3.375 4.311 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.724 -2.147 2.116 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.651 -3.937 0.255 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.085 -3.674 1.227 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.651 -4.239 1.346 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.587 -4.072 3.116 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -4.766 -5.176 2.368 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.004 -2.114 -0.653 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.884 -1.238 0.891 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.427 -1.504 -0.096 1.00 0.98 H new ATOM 276 N LYS A 18 -7.707 -1.257 3.113 1.00 0.42 N ATOM 277 CA LYS A 18 -8.243 0.089 3.281 1.00 0.48 C ATOM 278 C LYS A 18 -8.948 0.244 4.627 1.00 0.50 C ATOM 279 O LYS A 18 -9.469 1.308 4.946 1.00 0.63 O ATOM 280 CB LYS A 18 -9.191 0.449 2.135 1.00 0.56 C ATOM 281 CG LYS A 18 -10.519 -0.294 2.160 1.00 0.53 C ATOM 282 CD LYS A 18 -11.620 0.519 1.496 1.00 0.87 C ATOM 283 CE LYS A 18 -11.313 0.791 0.034 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.878 2.090 -0.414 1.00 1.48 N ATOM 0 H LYS A 18 -8.255 -1.860 2.500 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.401 0.781 3.261 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.388 1.521 2.166 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.691 0.243 1.188 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.412 -1.251 1.649 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.797 -0.512 3.191 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.566 -0.016 1.576 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.743 1.465 2.024 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.234 0.792 -0.117 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.720 -0.013 -0.579 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.648 2.241 -1.417 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.911 2.079 -0.293 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.471 2.860 0.154 1.00 1.48 H new ATOM 298 N LYS A 19 -8.980 -0.831 5.399 1.00 0.47 N ATOM 299 CA LYS A 19 -9.593 -0.809 6.717 1.00 0.53 C ATOM 300 C LYS A 19 -8.504 -0.786 7.779 1.00 0.54 C ATOM 301 O LYS A 19 -8.776 -0.761 8.977 1.00 0.67 O ATOM 302 CB LYS A 19 -10.493 -2.028 6.916 1.00 0.60 C ATOM 303 CG LYS A 19 -11.980 -1.704 6.878 1.00 0.84 C ATOM 304 CD LYS A 19 -12.375 -0.990 5.591 1.00 1.09 C ATOM 305 CE LYS A 19 -13.875 -1.046 5.350 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.654 -0.565 6.521 1.00 1.68 N ATOM 0 H LYS A 19 -8.586 -1.734 5.133 1.00 0.47 H new ATOM 0 HA LYS A 19 -10.209 0.086 6.805 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.270 -2.763 6.142 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.256 -2.491 7.874 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.555 -2.625 6.973 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -12.237 -1.079 7.733 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.054 0.050 5.640 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.855 -1.445 4.749 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.123 -0.441 4.478 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -14.166 -2.071 5.120 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.647 -0.429 6.245 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.600 -1.268 7.286 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.260 0.339 6.853 1.00 1.68 H new ATOM 320 N HIS A 20 -7.259 -0.802 7.321 1.00 0.55 N ATOM 321 CA HIS A 20 -6.113 -0.783 8.216 1.00 0.59 C ATOM 322 C HIS A 20 -5.229 0.417 7.922 1.00 0.58 C ATOM 323 O HIS A 20 -4.173 0.573 8.529 1.00 0.66 O ATOM 324 CB HIS A 20 -5.289 -2.062 8.059 1.00 0.68 C ATOM 325 CG HIS A 20 -5.821 -3.226 8.829 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.674 -4.161 8.283 1.00 0.90 N ATOM 327 CD2 HIS A 20 -5.595 -3.621 10.103 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.950 -5.079 9.190 1.00 1.07 C ATOM 329 NE2 HIS A 20 -6.307 -4.776 10.300 1.00 1.13 N ATOM 0 H HIS A 20 -7.018 -0.828 6.330 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.486 -0.716 9.238 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.247 -2.327 7.003 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.266 -1.865 8.379 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -7.035 -4.146 7.329 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.971 -3.121 10.829 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.594 -5.934 9.047 1.00 1.07 H new ATOM 338 N ASN A 21 -5.681 1.266 7.003 1.00 0.58 N ATOM 339 CA ASN A 21 -4.927 2.455 6.595 1.00 0.61 C ATOM 340 C ASN A 21 -4.913 3.518 7.694 1.00 0.60 C ATOM 341 O ASN A 21 -5.528 4.578 7.584 1.00 0.75 O ATOM 342 CB ASN A 21 -5.488 3.029 5.283 1.00 0.72 C ATOM 343 CG ASN A 21 -6.949 3.451 5.365 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.677 3.065 6.281 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.391 4.232 4.392 1.00 0.88 N ATOM 0 H ASN A 21 -6.573 1.154 6.521 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.895 2.150 6.424 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.888 3.890 4.989 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.380 2.282 4.496 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.365 4.535 4.384 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.758 4.531 3.651 1.00 0.88 H new ATOM 352 N HIS A 22 -4.209 3.210 8.767 1.00 0.64 N ATOM 353 CA HIS A 22 -4.091 4.111 9.896 1.00 0.76 C ATOM 354 C HIS A 22 -2.627 4.451 10.135 1.00 0.88 C ATOM 355 O HIS A 22 -1.748 3.949 9.432 1.00 1.61 O ATOM 356 CB HIS A 22 -4.718 3.489 11.149 1.00 0.83 C ATOM 357 CG HIS A 22 -6.211 3.351 11.066 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.085 4.251 11.636 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.986 2.413 10.464 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.327 3.873 11.390 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.294 2.763 10.678 1.00 1.09 N ATOM 0 H HIS A 22 -3.705 2.331 8.880 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.631 5.031 9.672 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.279 2.505 11.315 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.465 4.101 12.014 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.636 1.550 9.917 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.219 4.386 11.717 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.108 2.249 10.342 1.00 1.09 H new ATOM 370 N SER A 23 -2.368 5.279 11.132 1.00 0.60 N ATOM 371 CA SER A 23 -1.014 5.711 11.452 1.00 0.62 C ATOM 372 C SER A 23 -0.134 4.559 11.940 1.00 0.52 C ATOM 373 O SER A 23 1.093 4.644 11.891 1.00 0.62 O ATOM 374 CB SER A 23 -1.086 6.805 12.513 1.00 0.84 C ATOM 375 OG SER A 23 -2.379 7.396 12.532 1.00 1.32 O ATOM 0 H SER A 23 -3.086 5.671 11.742 1.00 0.60 H new ATOM 0 HA SER A 23 -0.554 6.092 10.541 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.857 6.385 13.493 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.334 7.567 12.309 1.00 0.84 H new ATOM 0 HG SER A 23 -2.409 8.094 13.219 1.00 1.32 H new ATOM 381 N LYS A 24 -0.758 3.482 12.400 1.00 0.51 N ATOM 382 CA LYS A 24 -0.015 2.332 12.900 1.00 0.51 C ATOM 383 C LYS A 24 0.102 1.228 11.848 1.00 0.44 C ATOM 384 O LYS A 24 0.772 0.219 12.074 1.00 0.45 O ATOM 385 CB LYS A 24 -0.682 1.777 14.164 1.00 0.71 C ATOM 386 CG LYS A 24 -2.090 1.262 13.936 1.00 0.97 C ATOM 387 CD LYS A 24 -2.592 0.482 15.139 1.00 1.41 C ATOM 388 CE LYS A 24 -3.962 -0.117 14.884 1.00 1.88 C ATOM 389 NZ LYS A 24 -4.371 -1.047 15.970 1.00 2.36 N ATOM 0 H LYS A 24 -1.772 3.381 12.437 1.00 0.51 H new ATOM 0 HA LYS A 24 0.992 2.674 13.139 1.00 0.51 H new ATOM 0 HB2 LYS A 24 -0.069 0.968 14.562 1.00 0.71 H new ATOM 0 HB3 LYS A 24 -0.709 2.559 14.923 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -2.759 2.100 13.738 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -2.108 0.624 13.052 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -1.886 -0.313 15.379 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -2.638 1.140 16.007 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -4.697 0.683 14.795 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -3.954 -0.650 13.933 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -5.312 -1.435 15.758 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -3.683 -1.824 16.039 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -4.404 -0.533 16.873 1.00 2.36 H new ATOM 403 N SER A 25 -0.545 1.410 10.699 1.00 0.43 N ATOM 404 CA SER A 25 -0.501 0.406 9.637 1.00 0.42 C ATOM 405 C SER A 25 -0.777 1.029 8.268 1.00 0.42 C ATOM 406 O SER A 25 -1.654 0.580 7.535 1.00 0.50 O ATOM 407 CB SER A 25 -1.514 -0.709 9.921 1.00 0.48 C ATOM 408 OG SER A 25 -1.287 -1.301 11.191 1.00 0.83 O ATOM 0 H SER A 25 -1.102 2.236 10.480 1.00 0.43 H new ATOM 0 HA SER A 25 0.503 -0.017 9.618 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.525 -0.303 9.882 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.446 -1.471 9.145 1.00 0.48 H new ATOM 0 HG SER A 25 -1.949 -2.007 11.346 1.00 0.83 H new ATOM 414 N THR A 26 -0.034 2.071 7.930 1.00 0.42 N ATOM 415 CA THR A 26 -0.206 2.735 6.649 1.00 0.43 C ATOM 416 C THR A 26 0.330 1.864 5.513 1.00 0.36 C ATOM 417 O THR A 26 1.540 1.779 5.291 1.00 0.41 O ATOM 418 CB THR A 26 0.500 4.102 6.631 1.00 0.51 C ATOM 419 OG1 THR A 26 0.493 4.666 7.949 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.191 5.056 5.665 1.00 0.56 C ATOM 0 H THR A 26 0.692 2.474 8.523 1.00 0.42 H new ATOM 0 HA THR A 26 -1.274 2.894 6.503 1.00 0.43 H new ATOM 0 HB THR A 26 1.528 3.955 6.298 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.359 4.462 8.388 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.326 6.016 5.669 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.168 4.636 4.660 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.226 5.200 5.974 1.00 0.56 H new ATOM 428 N TRP A 27 -0.585 1.200 4.817 1.00 0.35 N ATOM 429 CA TRP A 27 -0.228 0.326 3.710 1.00 0.33 C ATOM 430 C TRP A 27 -0.537 0.998 2.381 1.00 0.32 C ATOM 431 O TRP A 27 -1.528 1.721 2.256 1.00 0.36 O ATOM 432 CB TRP A 27 -0.982 -1.003 3.818 1.00 0.38 C ATOM 433 CG TRP A 27 -0.546 -1.837 4.984 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.658 -1.781 5.620 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.308 -2.850 5.651 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.699 -2.698 6.638 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.495 -3.370 6.681 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.591 -3.373 5.479 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.931 -4.384 7.530 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -3.021 -4.379 6.322 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.194 -4.874 7.338 1.00 0.71 C ATOM 0 H TRP A 27 -1.587 1.252 5.003 1.00 0.35 H new ATOM 0 HA TRP A 27 0.843 0.127 3.758 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.050 -0.801 3.903 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.837 -1.571 2.899 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.464 -1.111 5.359 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.490 -2.855 7.263 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.237 -2.997 4.699 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.295 -4.770 8.313 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -4.011 -4.791 6.196 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.561 -5.659 7.983 1.00 0.71 H new ATOM 452 N LEU A 28 0.316 0.763 1.399 1.00 0.32 N ATOM 453 CA LEU A 28 0.140 1.350 0.079 1.00 0.33 C ATOM 454 C LEU A 28 0.164 0.274 -0.998 1.00 0.32 C ATOM 455 O LEU A 28 0.871 -0.728 -0.870 1.00 0.32 O ATOM 456 CB LEU A 28 1.239 2.380 -0.189 1.00 0.36 C ATOM 457 CG LEU A 28 0.757 3.815 -0.409 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.907 4.798 -0.238 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.132 3.956 -1.787 1.00 0.99 C ATOM 0 H LEU A 28 1.140 0.168 1.490 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.830 1.846 0.051 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.932 2.373 0.652 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.801 2.065 -1.068 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.001 4.045 0.340 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.545 5.813 -0.398 1.00 0.85 H new ATOM 0 HD12 LEU A 28 2.312 4.712 0.770 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.689 4.573 -0.963 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.207 4.982 -1.930 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.871 3.708 -2.549 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.718 3.279 -1.872 1.00 0.99 H new ATOM 471 N ILE A 29 -0.616 0.482 -2.050 1.00 0.35 N ATOM 472 CA ILE A 29 -0.677 -0.461 -3.154 1.00 0.36 C ATOM 473 C ILE A 29 0.083 0.083 -4.361 1.00 0.36 C ATOM 474 O ILE A 29 -0.246 1.148 -4.892 1.00 0.39 O ATOM 475 CB ILE A 29 -2.132 -0.768 -3.567 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.908 -1.357 -2.390 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.163 -1.723 -4.754 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.388 -1.516 -2.661 1.00 0.80 C ATOM 0 H ILE A 29 -1.217 1.299 -2.160 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.214 -1.387 -2.811 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.608 0.166 -3.864 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.486 -2.330 -2.138 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.773 -0.716 -1.519 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.198 -1.927 -5.030 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.645 -1.270 -5.599 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.669 -2.656 -4.483 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.875 -1.939 -1.783 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.824 -0.542 -2.884 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.533 -2.181 -3.512 1.00 0.80 H new ATOM 490 N LEU A 30 1.112 -0.643 -4.768 1.00 0.34 N ATOM 491 CA LEU A 30 1.922 -0.258 -5.911 1.00 0.37 C ATOM 492 C LEU A 30 2.087 -1.452 -6.836 1.00 0.38 C ATOM 493 O LEU A 30 2.632 -2.479 -6.435 1.00 0.38 O ATOM 494 CB LEU A 30 3.294 0.251 -5.460 1.00 0.38 C ATOM 495 CG LEU A 30 3.264 1.365 -4.410 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.650 1.593 -3.829 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.719 2.653 -5.009 1.00 0.48 C ATOM 0 H LEU A 30 1.407 -1.510 -4.319 1.00 0.34 H new ATOM 0 HA LEU A 30 1.419 0.550 -6.442 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.861 -0.589 -5.059 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.835 0.613 -6.335 1.00 0.38 H new ATOM 0 HG LEU A 30 2.601 1.054 -3.603 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.606 2.388 -3.085 1.00 0.44 H new ATOM 0 HD12 LEU A 30 5.003 0.675 -3.359 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.336 1.879 -4.626 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.706 3.432 -4.247 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.355 2.967 -5.837 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.705 2.485 -5.373 1.00 0.48 H new ATOM 509 N HIS A 31 1.594 -1.317 -8.064 1.00 0.41 N ATOM 510 CA HIS A 31 1.659 -2.382 -9.064 1.00 0.43 C ATOM 511 C HIS A 31 0.804 -3.564 -8.617 1.00 0.42 C ATOM 512 O HIS A 31 1.128 -4.721 -8.886 1.00 0.45 O ATOM 513 CB HIS A 31 3.107 -2.825 -9.328 1.00 0.47 C ATOM 514 CG HIS A 31 3.887 -1.889 -10.203 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.144 -2.137 -11.536 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.478 -0.700 -9.928 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.857 -1.148 -12.038 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.073 -0.264 -11.084 1.00 1.18 N ATOM 0 H HIS A 31 1.138 -0.467 -8.395 1.00 0.41 H new ATOM 0 HA HIS A 31 1.266 -1.992 -10.003 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.623 -2.927 -8.374 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.094 -3.812 -9.791 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.480 -0.191 -8.975 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.205 -1.075 -13.058 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.598 0.604 -11.189 1.00 1.18 H new ATOM 527 N HIS A 32 -0.299 -3.239 -7.933 1.00 0.42 N ATOM 528 CA HIS A 32 -1.251 -4.229 -7.414 1.00 0.44 C ATOM 529 C HIS A 32 -0.637 -5.055 -6.281 1.00 0.40 C ATOM 530 O HIS A 32 -1.106 -6.151 -5.974 1.00 0.44 O ATOM 531 CB HIS A 32 -1.768 -5.150 -8.530 1.00 0.52 C ATOM 532 CG HIS A 32 -2.611 -4.450 -9.554 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.174 -4.179 -10.832 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.875 -3.970 -9.483 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.130 -3.564 -11.501 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.175 -3.425 -10.708 1.00 0.97 N ATOM 0 H HIS A 32 -0.558 -2.275 -7.722 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.099 -3.676 -7.010 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.917 -5.613 -9.029 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.351 -5.955 -8.082 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.527 -4.008 -8.623 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.068 -3.230 -12.526 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.060 -2.985 -10.962 1.00 0.97 H new ATOM 545 N LYS A 33 0.401 -4.512 -5.657 1.00 0.37 N ATOM 546 CA LYS A 33 1.075 -5.183 -4.549 1.00 0.37 C ATOM 547 C LYS A 33 0.997 -4.311 -3.300 1.00 0.33 C ATOM 548 O LYS A 33 0.936 -3.087 -3.407 1.00 0.36 O ATOM 549 CB LYS A 33 2.533 -5.465 -4.912 1.00 0.40 C ATOM 550 CG LYS A 33 2.705 -6.083 -6.293 1.00 0.57 C ATOM 551 CD LYS A 33 4.164 -6.145 -6.705 1.00 0.79 C ATOM 552 CE LYS A 33 4.856 -7.369 -6.131 1.00 0.94 C ATOM 553 NZ LYS A 33 4.436 -8.617 -6.822 1.00 1.02 N ATOM 0 H LYS A 33 0.797 -3.604 -5.900 1.00 0.37 H new ATOM 0 HA LYS A 33 0.580 -6.133 -4.350 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.097 -4.534 -4.866 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.962 -6.135 -4.167 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.283 -7.088 -6.296 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.145 -5.500 -7.024 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.235 -6.163 -7.793 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.677 -5.245 -6.367 1.00 0.79 H new ATOM 0 HE2 LYS A 33 5.936 -7.251 -6.219 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.630 -7.449 -5.068 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 5.118 -9.375 -6.615 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.493 -8.899 -6.486 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 4.403 -8.451 -7.848 1.00 1.02 H new ATOM 567 N VAL A 34 1.009 -4.932 -2.124 1.00 0.30 N ATOM 568 CA VAL A 34 0.904 -4.188 -0.870 1.00 0.30 C ATOM 569 C VAL A 34 2.260 -4.050 -0.183 1.00 0.27 C ATOM 570 O VAL A 34 2.993 -5.030 -0.018 1.00 0.28 O ATOM 571 CB VAL A 34 -0.086 -4.858 0.109 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.466 -3.901 1.233 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.327 -5.345 -0.623 1.00 0.35 C ATOM 0 H VAL A 34 1.090 -5.943 -2.012 1.00 0.30 H new ATOM 0 HA VAL A 34 0.533 -3.197 -1.133 1.00 0.30 H new ATOM 0 HB VAL A 34 0.410 -5.723 0.550 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.164 -4.394 1.910 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.430 -3.611 1.783 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.936 -3.013 0.811 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.008 -5.813 0.088 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.824 -4.500 -1.099 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.040 -6.072 -1.383 1.00 0.35 H new ATOM 583 N TYR A 35 2.584 -2.826 0.220 1.00 0.28 N ATOM 584 CA TYR A 35 3.846 -2.540 0.890 1.00 0.28 C ATOM 585 C TYR A 35 3.602 -1.883 2.247 1.00 0.30 C ATOM 586 O TYR A 35 2.683 -1.071 2.397 1.00 0.32 O ATOM 587 CB TYR A 35 4.719 -1.634 0.016 1.00 0.31 C ATOM 588 CG TYR A 35 5.047 -2.232 -1.333 1.00 0.31 C ATOM 589 CD1 TYR A 35 4.188 -2.073 -2.410 1.00 0.43 C ATOM 590 CD2 TYR A 35 6.213 -2.961 -1.527 1.00 0.35 C ATOM 591 CE1 TYR A 35 4.477 -2.625 -3.642 1.00 0.47 C ATOM 592 CE2 TYR A 35 6.511 -3.516 -2.759 1.00 0.40 C ATOM 593 CZ TYR A 35 5.638 -3.344 -3.813 1.00 0.41 C ATOM 594 OH TYR A 35 5.927 -3.895 -5.043 1.00 0.48 O ATOM 0 H TYR A 35 1.984 -2.011 0.093 1.00 0.28 H new ATOM 0 HA TYR A 35 4.367 -3.483 1.052 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.208 -0.683 -0.132 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.648 -1.418 0.544 1.00 0.31 H new ATOM 0 HD1 TYR A 35 3.277 -1.507 -2.283 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.898 -3.097 -0.703 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.794 -2.493 -4.469 1.00 0.47 H new ATOM 0 HE2 TYR A 35 7.422 -4.080 -2.895 1.00 0.40 H new ATOM 0 HH TYR A 35 6.783 -4.370 -4.996 1.00 0.48 H new ATOM 604 N ASP A 36 4.428 -2.239 3.224 1.00 0.32 N ATOM 605 CA ASP A 36 4.320 -1.697 4.574 1.00 0.36 C ATOM 606 C ASP A 36 5.346 -0.588 4.782 1.00 0.38 C ATOM 607 O ASP A 36 6.553 -0.831 4.737 1.00 0.50 O ATOM 608 CB ASP A 36 4.531 -2.811 5.609 1.00 0.43 C ATOM 609 CG ASP A 36 4.315 -2.351 7.043 1.00 0.57 C ATOM 610 OD1 ASP A 36 5.221 -1.704 7.613 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.247 -2.657 7.620 1.00 1.28 O ATOM 0 H ASP A 36 5.188 -2.908 3.104 1.00 0.32 H new ATOM 0 HA ASP A 36 3.322 -1.279 4.704 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.848 -3.633 5.392 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.543 -3.203 5.509 1.00 0.43 H new ATOM 616 N LEU A 37 4.862 0.629 4.994 1.00 0.37 N ATOM 617 CA LEU A 37 5.741 1.777 5.203 1.00 0.43 C ATOM 618 C LEU A 37 5.147 2.719 6.248 1.00 0.37 C ATOM 619 O LEU A 37 5.370 3.931 6.217 1.00 0.40 O ATOM 620 CB LEU A 37 5.976 2.529 3.879 1.00 0.56 C ATOM 621 CG LEU A 37 4.784 3.337 3.351 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.266 4.485 2.476 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.827 2.451 2.570 1.00 0.80 C ATOM 0 H LEU A 37 3.866 0.849 5.026 1.00 0.37 H new ATOM 0 HA LEU A 37 6.701 1.411 5.567 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.820 3.206 4.012 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.266 1.805 3.118 1.00 0.56 H new ATOM 0 HG LEU A 37 4.249 3.746 4.208 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.408 5.048 2.109 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.909 5.143 3.061 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.827 4.087 1.630 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.991 3.049 2.207 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.351 2.008 1.723 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.452 1.660 3.219 1.00 0.80 H new ATOM 635 N THR A 38 4.424 2.143 7.202 1.00 0.34 N ATOM 636 CA THR A 38 3.769 2.915 8.254 1.00 0.36 C ATOM 637 C THR A 38 4.772 3.667 9.139 1.00 0.38 C ATOM 638 O THR A 38 4.438 4.693 9.732 1.00 0.44 O ATOM 639 CB THR A 38 2.870 2.011 9.127 1.00 0.41 C ATOM 640 OG1 THR A 38 1.886 2.801 9.799 1.00 0.48 O ATOM 641 CG2 THR A 38 3.678 1.224 10.153 1.00 0.48 C ATOM 0 H THR A 38 4.275 1.136 7.269 1.00 0.34 H new ATOM 0 HA THR A 38 3.149 3.658 7.752 1.00 0.36 H new ATOM 0 HB THR A 38 2.383 1.297 8.463 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.295 3.246 10.570 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.007 0.602 10.745 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.401 0.591 9.639 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.205 1.916 10.810 1.00 0.48 H new ATOM 649 N LYS A 39 5.994 3.166 9.221 1.00 0.39 N ATOM 650 CA LYS A 39 7.016 3.807 10.031 1.00 0.47 C ATOM 651 C LYS A 39 8.005 4.554 9.150 1.00 0.47 C ATOM 652 O LYS A 39 9.009 5.074 9.629 1.00 0.59 O ATOM 653 CB LYS A 39 7.747 2.776 10.889 1.00 0.56 C ATOM 654 CG LYS A 39 7.384 2.857 12.363 1.00 0.75 C ATOM 655 CD LYS A 39 7.758 4.212 12.947 1.00 0.92 C ATOM 656 CE LYS A 39 6.585 4.857 13.666 1.00 1.27 C ATOM 657 NZ LYS A 39 6.874 6.264 14.053 1.00 1.50 N ATOM 0 H LYS A 39 6.301 2.321 8.739 1.00 0.39 H new ATOM 0 HA LYS A 39 6.528 4.524 10.691 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.517 1.777 10.519 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.822 2.917 10.778 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.314 2.687 12.487 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.898 2.067 12.911 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.589 4.092 13.642 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.102 4.870 12.149 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.706 4.831 13.022 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.343 4.278 14.557 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.048 6.667 14.541 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.697 6.287 14.689 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.079 6.823 13.201 1.00 1.50 H new ATOM 671 N PHE A 40 7.707 4.614 7.860 1.00 0.40 N ATOM 672 CA PHE A 40 8.575 5.290 6.907 1.00 0.44 C ATOM 673 C PHE A 40 7.864 6.485 6.286 1.00 0.40 C ATOM 674 O PHE A 40 8.338 7.061 5.309 1.00 0.42 O ATOM 675 CB PHE A 40 9.031 4.314 5.816 1.00 0.52 C ATOM 676 CG PHE A 40 9.964 3.246 6.318 1.00 1.16 C ATOM 677 CD1 PHE A 40 9.470 2.057 6.834 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.336 3.433 6.279 1.00 1.77 C ATOM 679 CE1 PHE A 40 10.327 1.079 7.301 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.197 2.459 6.745 1.00 2.45 C ATOM 681 CZ PHE A 40 11.692 1.278 7.255 1.00 2.68 C ATOM 0 H PHE A 40 6.869 4.202 7.449 1.00 0.40 H new ATOM 0 HA PHE A 40 9.454 5.653 7.440 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.154 3.841 5.373 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.526 4.874 5.022 1.00 0.52 H new ATOM 0 HD1 PHE A 40 8.403 1.894 6.871 1.00 1.66 H new ATOM 0 HD2 PHE A 40 11.738 4.352 5.879 1.00 1.77 H new ATOM 0 HE1 PHE A 40 9.929 0.159 7.702 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.264 2.620 6.711 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.363 0.513 7.616 1.00 2.68 H new ATOM 691 N LEU A 41 6.731 6.860 6.870 1.00 0.39 N ATOM 692 CA LEU A 41 5.944 7.988 6.377 1.00 0.43 C ATOM 693 C LEU A 41 6.749 9.285 6.421 1.00 0.44 C ATOM 694 O LEU A 41 6.927 9.956 5.406 1.00 0.47 O ATOM 695 CB LEU A 41 4.670 8.146 7.206 1.00 0.49 C ATOM 696 CG LEU A 41 3.723 6.942 7.186 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.555 7.168 8.131 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.218 6.680 5.777 1.00 0.59 C ATOM 0 H LEU A 41 6.335 6.398 7.689 1.00 0.39 H new ATOM 0 HA LEU A 41 5.679 7.782 5.340 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.951 8.349 8.239 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.128 9.020 6.846 1.00 0.49 H new ATOM 0 HG LEU A 41 4.278 6.066 7.522 1.00 0.48 H new ATOM 0 HD11 LEU A 41 1.892 6.303 8.104 1.00 0.55 H new ATOM 0 HD12 LEU A 41 2.929 7.307 9.145 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.004 8.057 7.823 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.547 5.821 5.785 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.681 7.556 5.414 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.063 6.474 5.120 1.00 0.59 H new ATOM 710 N GLU A 42 7.254 9.617 7.604 1.00 0.49 N ATOM 711 CA GLU A 42 8.041 10.833 7.791 1.00 0.56 C ATOM 712 C GLU A 42 9.495 10.614 7.374 1.00 0.54 C ATOM 713 O GLU A 42 10.354 11.469 7.590 1.00 0.66 O ATOM 714 CB GLU A 42 7.973 11.292 9.254 1.00 0.67 C ATOM 715 CG GLU A 42 8.226 10.178 10.256 1.00 0.72 C ATOM 716 CD GLU A 42 7.229 10.193 11.393 1.00 0.93 C ATOM 717 OE1 GLU A 42 6.025 9.987 11.137 1.00 1.40 O ATOM 718 OE2 GLU A 42 7.641 10.423 12.548 1.00 1.50 O ATOM 0 H GLU A 42 7.133 9.061 8.450 1.00 0.49 H new ATOM 0 HA GLU A 42 7.618 11.611 7.156 1.00 0.56 H new ATOM 0 HB2 GLU A 42 8.705 12.084 9.412 1.00 0.67 H new ATOM 0 HB3 GLU A 42 6.991 11.724 9.445 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.178 9.216 9.746 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.234 10.276 10.658 1.00 0.72 H new ATOM 725 N GLU A 43 9.763 9.462 6.777 1.00 0.48 N ATOM 726 CA GLU A 43 11.105 9.126 6.327 1.00 0.50 C ATOM 727 C GLU A 43 11.143 9.078 4.803 1.00 0.43 C ATOM 728 O GLU A 43 12.173 8.773 4.199 1.00 0.54 O ATOM 729 CB GLU A 43 11.541 7.783 6.925 1.00 0.58 C ATOM 730 CG GLU A 43 11.232 7.654 8.410 1.00 0.76 C ATOM 731 CD GLU A 43 12.344 6.986 9.187 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.310 7.684 9.565 1.00 1.46 O ATOM 733 OE2 GLU A 43 12.250 5.769 9.444 1.00 1.56 O ATOM 0 H GLU A 43 9.065 8.741 6.593 1.00 0.48 H new ATOM 0 HA GLU A 43 11.801 9.893 6.667 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.045 6.976 6.387 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.613 7.656 6.772 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.050 8.645 8.825 1.00 0.76 H new ATOM 0 HG3 GLU A 43 10.313 7.082 8.536 1.00 0.76 H new ATOM 740 N HIS A 44 10.007 9.401 4.198 1.00 0.43 N ATOM 741 CA HIS A 44 9.865 9.408 2.751 1.00 0.39 C ATOM 742 C HIS A 44 10.133 10.811 2.198 1.00 0.43 C ATOM 743 O HIS A 44 9.477 11.776 2.596 1.00 0.51 O ATOM 744 CB HIS A 44 8.453 8.941 2.362 1.00 0.41 C ATOM 745 CG HIS A 44 8.173 9.008 0.891 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.310 9.915 0.314 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.682 8.272 -0.128 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.323 9.706 -1.009 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.139 8.720 -1.328 1.00 0.41 N ATOM 0 H HIS A 44 9.159 9.665 4.699 1.00 0.43 H new ATOM 0 HA HIS A 44 10.595 8.722 2.321 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.314 7.915 2.702 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.721 9.553 2.889 1.00 0.41 H new ATOM 0 HD2 HIS A 44 9.395 7.467 -0.025 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.741 10.271 -1.722 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.332 8.360 -2.263 1.00 0.41 H new ATOM 757 N PRO A 45 11.106 10.944 1.279 1.00 0.44 N ATOM 758 CA PRO A 45 11.445 12.231 0.672 1.00 0.53 C ATOM 759 C PRO A 45 10.348 12.720 -0.271 1.00 0.62 C ATOM 760 O PRO A 45 10.283 12.315 -1.433 1.00 1.11 O ATOM 761 CB PRO A 45 12.735 11.946 -0.112 1.00 0.58 C ATOM 762 CG PRO A 45 13.181 10.587 0.310 1.00 0.56 C ATOM 763 CD PRO A 45 11.949 9.859 0.752 1.00 0.44 C ATOM 0 HA PRO A 45 11.561 13.014 1.421 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.554 11.981 -1.186 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.498 12.693 0.108 1.00 0.58 H new ATOM 0 HG2 PRO A 45 13.667 10.064 -0.514 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.907 10.650 1.120 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.468 9.337 -0.075 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.171 9.112 1.514 1.00 0.44 H new ATOM 771 N GLY A 46 9.486 13.587 0.237 1.00 0.75 N ATOM 772 CA GLY A 46 8.398 14.112 -0.561 1.00 0.82 C ATOM 773 C GLY A 46 7.233 14.553 0.296 1.00 0.83 C ATOM 774 O GLY A 46 6.367 15.305 -0.152 1.00 1.38 O ATOM 0 H GLY A 46 9.521 13.938 1.194 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.755 14.956 -1.151 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.063 13.350 -1.265 1.00 0.82 H new ATOM 778 N GLY A 47 7.198 14.079 1.534 1.00 0.66 N ATOM 779 CA GLY A 47 6.129 14.454 2.434 1.00 0.67 C ATOM 780 C GLY A 47 5.281 13.270 2.846 1.00 0.60 C ATOM 781 O GLY A 47 5.368 12.199 2.244 1.00 0.64 O ATOM 0 H GLY A 47 7.890 13.443 1.929 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.553 14.921 3.323 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.497 15.200 1.953 1.00 0.67 H new ATOM 785 N GLU A 48 4.455 13.465 3.867 1.00 0.61 N ATOM 786 CA GLU A 48 3.593 12.402 4.365 1.00 0.63 C ATOM 787 C GLU A 48 2.165 12.554 3.848 1.00 0.63 C ATOM 788 O GLU A 48 1.362 11.624 3.937 1.00 0.65 O ATOM 789 CB GLU A 48 3.586 12.403 5.897 1.00 0.76 C ATOM 790 CG GLU A 48 3.311 13.773 6.497 1.00 0.95 C ATOM 791 CD GLU A 48 2.858 13.701 7.939 1.00 1.21 C ATOM 792 OE1 GLU A 48 1.700 13.308 8.182 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.650 14.060 8.838 1.00 1.86 O ATOM 0 H GLU A 48 4.365 14.350 4.366 1.00 0.61 H new ATOM 0 HA GLU A 48 3.990 11.455 4.001 1.00 0.63 H new ATOM 0 HB2 GLU A 48 2.831 11.701 6.250 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.549 12.043 6.258 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.214 14.380 6.434 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.547 14.277 5.905 1.00 0.95 H new ATOM 800 N GLU A 49 1.857 13.721 3.291 1.00 0.66 N ATOM 801 CA GLU A 49 0.517 13.992 2.779 1.00 0.74 C ATOM 802 C GLU A 49 0.203 13.113 1.572 1.00 0.68 C ATOM 803 O GLU A 49 -0.857 12.494 1.511 1.00 0.72 O ATOM 804 CB GLU A 49 0.365 15.471 2.414 1.00 0.86 C ATOM 805 CG GLU A 49 -1.054 15.862 2.020 1.00 1.10 C ATOM 806 CD GLU A 49 -2.019 15.889 3.194 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.754 15.218 4.218 1.00 1.69 O ATOM 808 OE2 GLU A 49 -3.055 16.578 3.095 1.00 1.81 O ATOM 0 H GLU A 49 2.515 14.493 3.183 1.00 0.66 H new ATOM 0 HA GLU A 49 -0.196 13.754 3.569 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.678 16.079 3.263 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.039 15.704 1.589 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.035 16.846 1.552 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.422 15.160 1.272 1.00 1.10 H new ATOM 815 N VAL A 50 1.140 13.040 0.631 1.00 0.63 N ATOM 816 CA VAL A 50 0.956 12.226 -0.573 1.00 0.60 C ATOM 817 C VAL A 50 0.810 10.744 -0.229 1.00 0.54 C ATOM 818 O VAL A 50 0.308 9.960 -1.030 1.00 0.54 O ATOM 819 CB VAL A 50 2.123 12.397 -1.570 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.095 13.782 -2.197 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.462 12.133 -0.894 1.00 0.62 C ATOM 0 H VAL A 50 2.033 13.532 0.676 1.00 0.63 H new ATOM 0 HA VAL A 50 0.038 12.580 -1.042 1.00 0.60 H new ATOM 0 HB VAL A 50 2.000 11.661 -2.365 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.925 13.882 -2.896 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.154 13.922 -2.729 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.186 14.537 -1.416 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.267 12.260 -1.618 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.599 12.835 -0.072 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.480 11.114 -0.507 1.00 0.62 H new ATOM 831 N LEU A 51 1.233 10.368 0.971 1.00 0.52 N ATOM 832 CA LEU A 51 1.158 8.981 1.402 1.00 0.50 C ATOM 833 C LEU A 51 -0.169 8.693 2.098 1.00 0.53 C ATOM 834 O LEU A 51 -0.778 7.649 1.878 1.00 0.55 O ATOM 835 CB LEU A 51 2.322 8.651 2.340 1.00 0.48 C ATOM 836 CG LEU A 51 3.712 8.994 1.800 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.762 8.803 2.884 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.042 8.150 0.574 1.00 0.47 C ATOM 0 H LEU A 51 1.631 11.005 1.662 1.00 0.52 H new ATOM 0 HA LEU A 51 1.224 8.350 0.515 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.173 9.184 3.279 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.292 7.586 2.570 1.00 0.48 H new ATOM 0 HG LEU A 51 3.714 10.041 1.497 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.746 9.051 2.485 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.537 9.456 3.727 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.756 7.765 3.217 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.035 8.412 0.208 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.021 7.094 0.843 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.306 8.340 -0.207 1.00 0.47 H new ATOM 850 N ARG A 52 -0.629 9.627 2.925 1.00 0.59 N ATOM 851 CA ARG A 52 -1.876 9.437 3.662 1.00 0.66 C ATOM 852 C ARG A 52 -3.093 9.468 2.743 1.00 0.65 C ATOM 853 O ARG A 52 -4.081 8.784 2.997 1.00 0.69 O ATOM 854 CB ARG A 52 -2.021 10.480 4.781 1.00 0.79 C ATOM 855 CG ARG A 52 -1.980 11.923 4.304 1.00 0.97 C ATOM 856 CD ARG A 52 -3.375 12.508 4.136 1.00 1.22 C ATOM 857 NE ARG A 52 -4.155 12.433 5.372 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.207 13.404 6.287 1.00 1.90 C ATOM 859 NH1 ARG A 52 -3.534 14.535 6.106 1.00 2.00 N ATOM 860 NH2 ARG A 52 -4.935 13.238 7.383 1.00 2.61 N ATOM 0 H ARG A 52 -0.162 10.517 3.102 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.830 8.446 4.114 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.964 10.309 5.301 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -1.224 10.328 5.508 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.418 12.525 5.018 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.448 11.976 3.354 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -3.296 13.548 3.820 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.899 11.973 3.344 1.00 1.22 H new ATOM 0 HE ARG A 52 -4.694 11.584 5.546 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.973 14.666 5.264 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -3.578 15.273 6.809 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -5.453 12.371 7.525 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -4.977 13.978 8.084 1.00 2.61 H new ATOM 874 N GLU A 53 -3.020 10.237 1.663 1.00 0.64 N ATOM 875 CA GLU A 53 -4.142 10.335 0.733 1.00 0.68 C ATOM 876 C GLU A 53 -4.182 9.137 -0.211 1.00 0.65 C ATOM 877 O GLU A 53 -5.108 8.997 -1.011 1.00 0.78 O ATOM 878 CB GLU A 53 -4.071 11.636 -0.064 1.00 0.72 C ATOM 879 CG GLU A 53 -2.809 11.778 -0.893 1.00 0.67 C ATOM 880 CD GLU A 53 -2.857 12.975 -1.816 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.725 14.117 -1.324 1.00 1.26 O ATOM 882 OE2 GLU A 53 -3.038 12.782 -3.038 1.00 1.35 O ATOM 0 H GLU A 53 -2.206 10.797 1.410 1.00 0.64 H new ATOM 0 HA GLU A 53 -5.060 10.336 1.320 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.937 11.695 -0.724 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.138 12.478 0.625 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.950 11.869 -0.229 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.661 10.873 -1.483 1.00 0.67 H new ATOM 889 N GLN A 54 -3.165 8.289 -0.128 1.00 0.57 N ATOM 890 CA GLN A 54 -3.092 7.096 -0.961 1.00 0.58 C ATOM 891 C GLN A 54 -3.044 5.853 -0.082 1.00 0.57 C ATOM 892 O GLN A 54 -2.860 4.737 -0.566 1.00 0.60 O ATOM 893 CB GLN A 54 -1.861 7.150 -1.873 1.00 0.57 C ATOM 894 CG GLN A 54 -1.894 8.290 -2.883 1.00 0.64 C ATOM 895 CD GLN A 54 -2.911 8.072 -3.986 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.596 7.523 -5.039 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.143 8.505 -3.757 1.00 0.96 N ATOM 0 H GLN A 54 -2.377 8.406 0.510 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.982 7.053 -1.589 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.968 7.249 -1.256 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.775 6.205 -2.409 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.122 9.221 -2.365 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.905 8.405 -3.326 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.368 8.956 -2.871 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.865 8.387 -4.467 1.00 0.96 H new ATOM 906 N ALA A 55 -3.229 6.063 1.218 1.00 0.58 N ATOM 907 CA ALA A 55 -3.205 4.976 2.185 1.00 0.60 C ATOM 908 C ALA A 55 -4.379 4.034 1.961 1.00 0.61 C ATOM 909 O ALA A 55 -5.540 4.421 2.115 1.00 0.68 O ATOM 910 CB ALA A 55 -3.223 5.529 3.604 1.00 0.65 C ATOM 0 H ALA A 55 -3.398 6.983 1.626 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.284 4.410 2.047 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.205 4.704 4.316 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.349 6.162 3.759 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -4.128 6.118 3.754 1.00 0.65 H new ATOM 916 N GLY A 56 -4.067 2.801 1.601 1.00 0.59 N ATOM 917 CA GLY A 56 -5.099 1.819 1.344 1.00 0.64 C ATOM 918 C GLY A 56 -5.580 1.873 -0.090 1.00 0.62 C ATOM 919 O GLY A 56 -6.586 1.258 -0.442 1.00 0.66 O ATOM 0 H GLY A 56 -3.113 2.460 1.481 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.715 0.822 1.561 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.940 1.990 2.016 1.00 0.64 H new ATOM 923 N GLY A 57 -4.859 2.613 -0.920 1.00 0.63 N ATOM 924 CA GLY A 57 -5.221 2.738 -2.316 1.00 0.65 C ATOM 925 C GLY A 57 -4.046 2.472 -3.236 1.00 0.59 C ATOM 926 O GLY A 57 -2.933 2.213 -2.772 1.00 0.55 O ATOM 0 H GLY A 57 -4.024 3.132 -0.648 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.026 2.039 -2.545 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.607 3.740 -2.502 1.00 0.65 H new ATOM 930 N ASP A 58 -4.290 2.533 -4.536 1.00 0.65 N ATOM 931 CA ASP A 58 -3.243 2.292 -5.522 1.00 0.62 C ATOM 932 C ASP A 58 -2.627 3.605 -5.975 1.00 0.61 C ATOM 933 O ASP A 58 -3.325 4.495 -6.465 1.00 0.71 O ATOM 934 CB ASP A 58 -3.808 1.534 -6.728 1.00 0.69 C ATOM 935 CG ASP A 58 -2.769 1.283 -7.808 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.454 2.218 -8.572 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.266 0.143 -7.912 1.00 1.32 O ATOM 0 H ASP A 58 -5.204 2.747 -4.935 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.468 1.683 -5.057 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.214 0.580 -6.393 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.636 2.102 -7.152 1.00 0.69 H new ATOM 942 N ALA A 59 -1.323 3.724 -5.804 1.00 0.55 N ATOM 943 CA ALA A 59 -0.610 4.925 -6.198 1.00 0.57 C ATOM 944 C ALA A 59 0.353 4.621 -7.336 1.00 0.54 C ATOM 945 O ALA A 59 1.292 5.375 -7.582 1.00 0.54 O ATOM 946 CB ALA A 59 0.136 5.516 -5.011 1.00 0.60 C ATOM 0 H ALA A 59 -0.734 3.000 -5.393 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.336 5.659 -6.547 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.665 6.416 -5.325 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.574 5.769 -4.224 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.853 4.787 -4.632 1.00 0.60 H new ATOM 952 N THR A 60 0.105 3.521 -8.039 1.00 0.56 N ATOM 953 CA THR A 60 0.952 3.113 -9.152 1.00 0.57 C ATOM 954 C THR A 60 1.004 4.202 -10.219 1.00 0.57 C ATOM 955 O THR A 60 2.061 4.483 -10.789 1.00 0.58 O ATOM 956 CB THR A 60 0.434 1.807 -9.781 1.00 0.64 C ATOM 957 OG1 THR A 60 0.191 0.835 -8.754 1.00 0.67 O ATOM 958 CG2 THR A 60 1.432 1.245 -10.780 1.00 0.71 C ATOM 0 H THR A 60 -0.679 2.895 -7.856 1.00 0.56 H new ATOM 0 HA THR A 60 1.956 2.948 -8.761 1.00 0.57 H new ATOM 0 HB THR A 60 -0.494 2.031 -10.307 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.731 0.509 -8.824 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.039 0.323 -11.208 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.599 1.971 -11.575 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.375 1.037 -10.274 1.00 0.71 H new ATOM 966 N GLU A 61 -0.144 4.831 -10.450 1.00 0.62 N ATOM 967 CA GLU A 61 -0.267 5.894 -11.439 1.00 0.67 C ATOM 968 C GLU A 61 0.643 7.072 -11.103 1.00 0.63 C ATOM 969 O GLU A 61 1.203 7.700 -11.993 1.00 0.74 O ATOM 970 CB GLU A 61 -1.723 6.357 -11.533 1.00 0.78 C ATOM 971 CG GLU A 61 -2.400 6.531 -10.180 1.00 0.83 C ATOM 972 CD GLU A 61 -3.826 7.012 -10.310 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.036 8.237 -10.442 1.00 1.48 O ATOM 974 OE2 GLU A 61 -4.746 6.165 -10.293 1.00 1.64 O ATOM 0 H GLU A 61 -1.012 4.619 -9.958 1.00 0.62 H new ATOM 0 HA GLU A 61 0.045 5.496 -12.405 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.760 7.304 -12.072 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.288 5.634 -12.121 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.387 5.582 -9.645 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.832 7.243 -9.581 1.00 0.83 H new ATOM 981 N ASN A 62 0.795 7.358 -9.815 1.00 0.56 N ATOM 982 CA ASN A 62 1.641 8.465 -9.376 1.00 0.55 C ATOM 983 C ASN A 62 3.094 8.015 -9.286 1.00 0.50 C ATOM 984 O ASN A 62 4.016 8.784 -9.567 1.00 0.50 O ATOM 985 CB ASN A 62 1.170 9.001 -8.017 1.00 0.58 C ATOM 986 CG ASN A 62 1.756 10.368 -7.695 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.821 10.479 -7.090 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.056 11.420 -8.090 1.00 1.32 N ATOM 0 H ASN A 62 0.346 6.842 -9.058 1.00 0.56 H new ATOM 0 HA ASN A 62 1.564 9.267 -10.110 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.082 9.066 -8.013 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.450 8.296 -7.235 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.396 12.362 -7.895 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.177 11.289 -8.590 1.00 1.32 H new ATOM 995 N PHE A 63 3.278 6.751 -8.914 1.00 0.48 N ATOM 996 CA PHE A 63 4.601 6.151 -8.771 1.00 0.46 C ATOM 997 C PHE A 63 5.391 6.254 -10.071 1.00 0.49 C ATOM 998 O PHE A 63 6.549 6.683 -10.076 1.00 0.50 O ATOM 999 CB PHE A 63 4.462 4.680 -8.354 1.00 0.48 C ATOM 1000 CG PHE A 63 5.704 4.080 -7.756 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.948 4.178 -6.397 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.619 3.407 -8.550 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.080 3.618 -5.838 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.753 2.841 -7.997 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.984 2.949 -6.640 1.00 0.73 C ATOM 0 H PHE A 63 2.511 6.112 -8.703 1.00 0.48 H new ATOM 0 HA PHE A 63 5.145 6.696 -7.999 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.650 4.596 -7.632 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.175 4.094 -9.227 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.244 4.699 -5.765 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.444 3.324 -9.613 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.258 3.703 -4.776 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.457 2.315 -8.625 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.871 2.511 -6.206 1.00 0.73 H new ATOM 1015 N GLU A 64 4.755 5.872 -11.173 1.00 0.53 N ATOM 1016 CA GLU A 64 5.401 5.914 -12.479 1.00 0.58 C ATOM 1017 C GLU A 64 5.307 7.302 -13.105 1.00 0.57 C ATOM 1018 O GLU A 64 6.097 7.646 -13.985 1.00 0.65 O ATOM 1019 CB GLU A 64 4.787 4.867 -13.414 1.00 0.69 C ATOM 1020 CG GLU A 64 3.320 5.102 -13.740 1.00 1.08 C ATOM 1021 CD GLU A 64 2.785 4.098 -14.739 1.00 1.47 C ATOM 1022 OE1 GLU A 64 3.283 4.073 -15.885 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.870 3.323 -14.385 1.00 1.89 O ATOM 0 H GLU A 64 3.794 5.530 -11.188 1.00 0.53 H new ATOM 0 HA GLU A 64 6.456 5.684 -12.334 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.355 4.850 -14.344 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.892 3.883 -12.957 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.733 5.047 -12.823 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.195 6.109 -14.138 1.00 1.08 H new ATOM 1030 N ASP A 65 4.346 8.099 -12.644 1.00 0.54 N ATOM 1031 CA ASP A 65 4.163 9.450 -13.166 1.00 0.55 C ATOM 1032 C ASP A 65 5.322 10.343 -12.751 1.00 0.53 C ATOM 1033 O ASP A 65 5.921 11.030 -13.578 1.00 0.58 O ATOM 1034 CB ASP A 65 2.854 10.059 -12.668 1.00 0.57 C ATOM 1035 CG ASP A 65 2.621 11.449 -13.220 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.254 11.566 -14.412 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.801 12.429 -12.469 1.00 0.79 O ATOM 0 H ASP A 65 3.685 7.834 -11.914 1.00 0.54 H new ATOM 0 HA ASP A 65 4.129 9.381 -14.253 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.024 9.413 -12.953 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.866 10.100 -11.579 1.00 0.57 H new ATOM 1042 N VAL A 66 5.630 10.325 -11.463 1.00 0.50 N ATOM 1043 CA VAL A 66 6.723 11.123 -10.934 1.00 0.52 C ATOM 1044 C VAL A 66 8.057 10.540 -11.382 1.00 0.50 C ATOM 1045 O VAL A 66 8.851 11.211 -12.041 1.00 0.55 O ATOM 1046 CB VAL A 66 6.680 11.188 -9.393 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.881 11.948 -8.848 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.382 11.830 -8.921 1.00 0.60 C ATOM 0 H VAL A 66 5.138 9.766 -10.766 1.00 0.50 H new ATOM 0 HA VAL A 66 6.614 12.136 -11.322 1.00 0.52 H new ATOM 0 HB VAL A 66 6.721 10.169 -9.009 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.828 11.980 -7.760 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.799 11.444 -9.152 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.878 12.964 -9.242 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.370 11.867 -7.832 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.311 12.842 -9.320 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.535 11.241 -9.274 1.00 0.60 H new ATOM 1058 N GLY A 67 8.279 9.280 -11.049 1.00 0.50 N ATOM 1059 CA GLY A 67 9.514 8.629 -11.417 1.00 0.54 C ATOM 1060 C GLY A 67 10.336 8.260 -10.209 1.00 0.54 C ATOM 1061 O GLY A 67 10.610 9.100 -9.353 1.00 0.82 O ATOM 0 H GLY A 67 7.624 8.696 -10.529 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.293 7.731 -11.994 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.094 9.288 -12.063 1.00 0.54 H new ATOM 1065 N HIS A 68 10.720 7.002 -10.132 1.00 0.45 N ATOM 1066 CA HIS A 68 11.514 6.520 -9.019 1.00 0.42 C ATOM 1067 C HIS A 68 12.800 5.890 -9.522 1.00 0.47 C ATOM 1068 O HIS A 68 12.812 5.212 -10.553 1.00 0.58 O ATOM 1069 CB HIS A 68 10.717 5.514 -8.188 1.00 0.39 C ATOM 1070 CG HIS A 68 9.748 6.160 -7.246 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.481 6.572 -7.601 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.893 6.479 -5.936 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.908 7.115 -6.520 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.723 7.083 -5.484 1.00 0.40 N ATOM 0 H HIS A 68 10.494 6.292 -10.829 1.00 0.45 H new ATOM 0 HA HIS A 68 11.768 7.368 -8.383 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.173 4.849 -8.859 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.409 4.895 -7.618 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.056 6.479 -8.524 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.774 6.294 -5.339 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.909 7.525 -6.499 1.00 0.35 H new ATOM 1082 N SER A 69 13.878 6.124 -8.795 1.00 0.45 N ATOM 1083 CA SER A 69 15.173 5.582 -9.153 1.00 0.50 C ATOM 1084 C SER A 69 15.173 4.062 -9.028 1.00 0.50 C ATOM 1085 O SER A 69 14.348 3.484 -8.315 1.00 0.46 O ATOM 1086 CB SER A 69 16.243 6.193 -8.249 1.00 0.55 C ATOM 1087 OG SER A 69 15.697 6.537 -6.983 1.00 1.01 O ATOM 0 H SER A 69 13.880 6.691 -7.947 1.00 0.45 H new ATOM 0 HA SER A 69 15.391 5.833 -10.191 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.061 5.485 -8.117 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.662 7.081 -8.723 1.00 0.55 H new ATOM 0 HG SER A 69 15.391 7.468 -7.001 1.00 1.01 H new ATOM 1093 N THR A 70 16.094 3.417 -9.724 1.00 0.59 N ATOM 1094 CA THR A 70 16.203 1.970 -9.685 1.00 0.64 C ATOM 1095 C THR A 70 16.530 1.497 -8.270 1.00 0.61 C ATOM 1096 O THR A 70 16.147 0.403 -7.861 1.00 0.66 O ATOM 1097 CB THR A 70 17.277 1.483 -10.672 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.314 2.468 -10.784 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.671 1.219 -12.044 1.00 1.08 C ATOM 0 H THR A 70 16.779 3.875 -10.325 1.00 0.59 H new ATOM 0 HA THR A 70 15.243 1.546 -9.980 1.00 0.64 H new ATOM 0 HB THR A 70 17.696 0.551 -10.293 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.997 2.154 -11.412 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.449 0.876 -12.726 1.00 1.08 H new ATOM 0 HG22 THR A 70 15.899 0.454 -11.960 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.230 2.138 -12.430 1.00 1.08 H new ATOM 1107 N ASP A 71 17.223 2.347 -7.522 1.00 0.60 N ATOM 1108 CA ASP A 71 17.589 2.036 -6.144 1.00 0.61 C ATOM 1109 C ASP A 71 16.350 2.076 -5.250 1.00 0.54 C ATOM 1110 O ASP A 71 16.186 1.253 -4.352 1.00 0.56 O ATOM 1111 CB ASP A 71 18.629 3.038 -5.634 1.00 0.70 C ATOM 1112 CG ASP A 71 19.494 2.486 -4.514 1.00 0.97 C ATOM 1113 OD1 ASP A 71 18.946 1.975 -3.519 1.00 1.29 O ATOM 1114 OD2 ASP A 71 20.739 2.575 -4.625 1.00 1.38 O ATOM 0 H ASP A 71 17.544 3.259 -7.847 1.00 0.60 H new ATOM 0 HA ASP A 71 18.018 1.034 -6.114 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.269 3.341 -6.463 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.118 3.934 -5.282 1.00 0.70 H new ATOM 1119 N ALA A 72 15.464 3.029 -5.537 1.00 0.48 N ATOM 1120 CA ALA A 72 14.238 3.211 -4.764 1.00 0.44 C ATOM 1121 C ALA A 72 13.342 1.978 -4.821 1.00 0.42 C ATOM 1122 O ALA A 72 12.807 1.548 -3.798 1.00 0.43 O ATOM 1123 CB ALA A 72 13.476 4.436 -5.257 1.00 0.47 C ATOM 0 H ALA A 72 15.575 3.691 -6.305 1.00 0.48 H new ATOM 0 HA ALA A 72 14.528 3.362 -3.724 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.565 4.558 -4.671 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.101 5.322 -5.145 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.217 4.305 -6.308 1.00 0.47 H new ATOM 1129 N ARG A 73 13.186 1.399 -6.009 1.00 0.44 N ATOM 1130 CA ARG A 73 12.339 0.220 -6.163 1.00 0.48 C ATOM 1131 C ARG A 73 12.988 -1.008 -5.524 1.00 0.49 C ATOM 1132 O ARG A 73 12.307 -1.965 -5.161 1.00 0.56 O ATOM 1133 CB ARG A 73 12.000 -0.035 -7.641 1.00 0.54 C ATOM 1134 CG ARG A 73 13.176 -0.459 -8.513 1.00 0.68 C ATOM 1135 CD ARG A 73 13.282 -1.973 -8.628 1.00 0.74 C ATOM 1136 NE ARG A 73 11.991 -2.599 -8.910 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.625 -3.793 -8.443 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.455 -4.502 -7.687 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.429 -4.283 -8.738 1.00 1.36 N ATOM 0 H ARG A 73 13.629 1.722 -6.869 1.00 0.44 H new ATOM 0 HA ARG A 73 11.402 0.413 -5.640 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.233 -0.807 -7.693 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.567 0.873 -8.060 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.065 -0.027 -9.507 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.100 -0.061 -8.094 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.987 -2.227 -9.420 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.685 -2.378 -7.700 1.00 0.74 H new ATOM 0 HE ARG A 73 11.331 -2.092 -9.499 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.379 -4.134 -7.460 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.169 -5.415 -7.333 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.788 -3.746 -9.323 1.00 1.36 H new ATOM 0 HH22 ARG A 73 10.150 -5.197 -8.380 1.00 1.36 H new ATOM 1153 N GLU A 74 14.308 -0.975 -5.387 1.00 0.47 N ATOM 1154 CA GLU A 74 15.029 -2.078 -4.769 1.00 0.51 C ATOM 1155 C GLU A 74 14.961 -1.951 -3.253 1.00 0.49 C ATOM 1156 O GLU A 74 15.166 -2.919 -2.519 1.00 0.55 O ATOM 1157 CB GLU A 74 16.487 -2.108 -5.238 1.00 0.57 C ATOM 1158 CG GLU A 74 16.656 -2.558 -6.680 1.00 0.65 C ATOM 1159 CD GLU A 74 16.195 -3.984 -6.913 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.984 -4.193 -7.128 1.00 0.84 O ATOM 1161 OE2 GLU A 74 17.041 -4.900 -6.885 1.00 1.01 O ATOM 0 H GLU A 74 14.897 -0.201 -5.694 1.00 0.47 H new ATOM 0 HA GLU A 74 14.560 -3.014 -5.071 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.916 -1.113 -5.125 1.00 0.57 H new ATOM 0 HB3 GLU A 74 17.054 -2.776 -4.589 1.00 0.57 H new ATOM 0 HG2 GLU A 74 16.094 -1.889 -7.332 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.705 -2.470 -6.962 1.00 0.65 H new ATOM 1168 N LEU A 75 14.668 -0.745 -2.788 1.00 0.47 N ATOM 1169 CA LEU A 75 14.555 -0.479 -1.364 1.00 0.48 C ATOM 1170 C LEU A 75 13.170 -0.876 -0.869 1.00 0.43 C ATOM 1171 O LEU A 75 13.002 -1.310 0.269 1.00 0.44 O ATOM 1172 CB LEU A 75 14.822 1.004 -1.082 1.00 0.53 C ATOM 1173 CG LEU A 75 14.817 1.402 0.398 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.976 0.749 1.136 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.878 2.916 0.546 1.00 0.61 C ATOM 0 H LEU A 75 14.504 0.068 -3.381 1.00 0.47 H new ATOM 0 HA LEU A 75 15.299 -1.072 -0.831 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.789 1.269 -1.509 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.070 1.597 -1.603 1.00 0.53 H new ATOM 0 HG LEU A 75 13.886 1.049 0.841 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.953 1.045 2.185 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.889 -0.335 1.063 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.918 1.068 0.689 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.873 3.179 1.604 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.791 3.290 0.083 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.013 3.365 0.057 1.00 0.61 H new ATOM 1187 N SER A 76 12.179 -0.746 -1.742 1.00 0.45 N ATOM 1188 CA SER A 76 10.807 -1.094 -1.401 1.00 0.46 C ATOM 1189 C SER A 76 10.595 -2.601 -1.501 1.00 0.43 C ATOM 1190 O SER A 76 9.563 -3.130 -1.087 1.00 0.45 O ATOM 1191 CB SER A 76 9.842 -0.353 -2.328 1.00 0.55 C ATOM 1192 OG SER A 76 10.497 0.039 -3.523 1.00 0.82 O ATOM 0 H SER A 76 12.301 -0.401 -2.694 1.00 0.45 H new ATOM 0 HA SER A 76 10.611 -0.793 -0.372 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.994 -0.995 -2.566 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.444 0.526 -1.820 1.00 0.55 H new ATOM 0 HG SER A 76 9.864 0.510 -4.104 1.00 0.82 H new ATOM 1198 N LYS A 77 11.602 -3.290 -2.023 1.00 0.45 N ATOM 1199 CA LYS A 77 11.556 -4.736 -2.192 1.00 0.51 C ATOM 1200 C LYS A 77 11.430 -5.443 -0.840 1.00 0.47 C ATOM 1201 O LYS A 77 10.891 -6.543 -0.749 1.00 0.56 O ATOM 1202 CB LYS A 77 12.818 -5.205 -2.915 1.00 0.63 C ATOM 1203 CG LYS A 77 12.791 -6.667 -3.321 1.00 0.94 C ATOM 1204 CD LYS A 77 14.084 -7.075 -4.006 1.00 1.20 C ATOM 1205 CE LYS A 77 14.030 -8.516 -4.480 1.00 1.60 C ATOM 1206 NZ LYS A 77 15.200 -8.861 -5.329 1.00 1.89 N ATOM 0 H LYS A 77 12.472 -2.863 -2.340 1.00 0.45 H new ATOM 0 HA LYS A 77 10.679 -4.990 -2.787 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.962 -4.594 -3.806 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.679 -5.034 -2.269 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.633 -7.288 -2.440 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.950 -6.845 -3.992 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.270 -6.418 -4.855 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.918 -6.949 -3.316 1.00 1.20 H new ATOM 0 HE2 LYS A 77 13.998 -9.182 -3.617 1.00 1.60 H new ATOM 0 HE3 LYS A 77 13.111 -8.679 -5.043 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 15.128 -9.853 -5.633 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.217 -8.243 -6.165 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 16.076 -8.729 -4.784 1.00 1.89 H new ATOM 1220 N THR A 78 11.924 -4.800 0.208 1.00 0.42 N ATOM 1221 CA THR A 78 11.861 -5.371 1.544 1.00 0.48 C ATOM 1222 C THR A 78 10.605 -4.895 2.281 1.00 0.43 C ATOM 1223 O THR A 78 10.294 -5.371 3.375 1.00 0.53 O ATOM 1224 CB THR A 78 13.128 -5.020 2.364 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.203 -5.835 3.544 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.143 -3.550 2.758 1.00 0.63 C ATOM 0 H THR A 78 12.372 -3.885 0.159 1.00 0.42 H new ATOM 0 HA THR A 78 11.813 -6.455 1.437 1.00 0.48 H new ATOM 0 HB THR A 78 13.994 -5.217 1.732 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.932 -5.307 4.324 1.00 0.84 H new ATOM 0 HG21 THR A 78 14.045 -3.336 3.332 1.00 0.63 H new ATOM 0 HG22 THR A 78 13.130 -2.932 1.860 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.265 -3.327 3.365 1.00 0.63 H new ATOM 1234 N PHE A 79 9.863 -3.982 1.656 1.00 0.36 N ATOM 1235 CA PHE A 79 8.650 -3.432 2.260 1.00 0.38 C ATOM 1236 C PHE A 79 7.413 -4.234 1.860 1.00 0.32 C ATOM 1237 O PHE A 79 6.334 -4.026 2.410 1.00 0.33 O ATOM 1238 CB PHE A 79 8.449 -1.966 1.851 1.00 0.46 C ATOM 1239 CG PHE A 79 9.513 -1.016 2.341 1.00 0.51 C ATOM 1240 CD1 PHE A 79 10.257 -1.291 3.481 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.761 0.163 1.656 1.00 0.96 C ATOM 1242 CE1 PHE A 79 11.226 -0.409 3.923 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.728 1.047 2.095 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.461 0.761 3.229 1.00 0.70 C ATOM 0 H PHE A 79 10.080 -3.608 0.732 1.00 0.36 H new ATOM 0 HA PHE A 79 8.778 -3.494 3.341 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.407 -1.910 0.763 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.482 -1.629 2.225 1.00 0.46 H new ATOM 0 HD1 PHE A 79 10.077 -2.204 4.029 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.191 0.394 0.768 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.798 -0.635 4.810 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.910 1.962 1.551 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.217 1.451 3.573 1.00 0.70 H new ATOM 1254 N ILE A 80 7.569 -5.140 0.902 1.00 0.38 N ATOM 1255 CA ILE A 80 6.451 -5.950 0.439 1.00 0.36 C ATOM 1256 C ILE A 80 5.967 -6.903 1.532 1.00 0.33 C ATOM 1257 O ILE A 80 6.760 -7.592 2.179 1.00 0.42 O ATOM 1258 CB ILE A 80 6.805 -6.749 -0.840 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.588 -7.542 -1.316 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.991 -7.673 -0.598 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.835 -8.348 -2.573 1.00 0.72 C ATOM 0 H ILE A 80 8.455 -5.331 0.433 1.00 0.38 H new ATOM 0 HA ILE A 80 5.645 -5.259 0.193 1.00 0.36 H new ATOM 0 HB ILE A 80 7.090 -6.043 -1.620 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.272 -8.216 -0.520 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.764 -6.851 -1.495 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.217 -8.221 -1.512 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.859 -7.082 -0.305 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.747 -8.378 0.197 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.925 -8.882 -2.847 1.00 0.72 H new ATOM 0 HD12 ILE A 80 6.121 -7.678 -3.384 1.00 0.72 H new ATOM 0 HD13 ILE A 80 6.637 -9.064 -2.394 1.00 0.72 H new ATOM 1273 N ILE A 81 4.663 -6.900 1.759 1.00 0.28 N ATOM 1274 CA ILE A 81 4.057 -7.771 2.755 1.00 0.32 C ATOM 1275 C ILE A 81 3.095 -8.748 2.095 1.00 0.29 C ATOM 1276 O ILE A 81 2.722 -9.767 2.683 1.00 0.31 O ATOM 1277 CB ILE A 81 3.310 -6.973 3.847 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.563 -5.786 3.231 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.282 -6.504 4.921 1.00 0.43 C ATOM 1280 CD1 ILE A 81 1.644 -5.077 4.202 1.00 0.77 C ATOM 0 H ILE A 81 4.001 -6.302 1.265 1.00 0.28 H new ATOM 0 HA ILE A 81 4.869 -8.320 3.232 1.00 0.32 H new ATOM 0 HB ILE A 81 2.576 -7.629 4.314 1.00 0.42 H new ATOM 0 HG12 ILE A 81 3.290 -5.072 2.844 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.978 -6.137 2.381 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.740 -5.943 5.683 1.00 0.43 H new ATOM 0 HG22 ILE A 81 4.762 -7.368 5.380 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.041 -5.864 4.471 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.149 -4.248 3.696 1.00 0.77 H new ATOM 0 HD12 ILE A 81 0.894 -5.777 4.570 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.226 -4.695 5.041 1.00 0.77 H new ATOM 1292 N GLY A 82 2.710 -8.445 0.861 1.00 0.32 N ATOM 1293 CA GLY A 82 1.801 -9.308 0.148 1.00 0.35 C ATOM 1294 C GLY A 82 1.198 -8.651 -1.074 1.00 0.31 C ATOM 1295 O GLY A 82 1.714 -7.650 -1.573 1.00 0.34 O ATOM 0 H GLY A 82 3.013 -7.618 0.346 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.329 -10.212 -0.156 1.00 0.35 H new ATOM 0 HA3 GLY A 82 1.000 -9.617 0.820 1.00 0.35 H new ATOM 1299 N GLU A 83 0.099 -9.218 -1.545 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.602 -8.710 -2.716 1.00 0.31 C ATOM 1301 C GLU A 83 -2.103 -8.678 -2.459 1.00 0.32 C ATOM 1302 O GLU A 83 -2.557 -9.007 -1.365 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.320 -9.589 -3.936 1.00 0.37 C ATOM 1304 CG GLU A 83 1.060 -9.402 -4.541 1.00 0.61 C ATOM 1305 CD GLU A 83 1.161 -9.994 -5.932 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.386 -10.925 -6.246 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.007 -9.524 -6.721 1.00 0.86 O ATOM 0 H GLU A 83 -0.333 -10.043 -1.128 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.244 -7.699 -2.912 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.439 -10.634 -3.650 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.069 -9.380 -4.700 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.295 -8.339 -4.583 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.804 -9.868 -3.895 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.865 -8.289 -3.472 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.318 -8.224 -3.355 1.00 0.44 C ATOM 1316 C LEU A 84 -4.956 -9.517 -3.855 1.00 0.40 C ATOM 1317 O LEU A 84 -4.351 -10.261 -4.633 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.883 -7.038 -4.153 1.00 0.52 C ATOM 1319 CG LEU A 84 -4.775 -5.661 -3.484 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.199 -5.722 -2.023 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.360 -5.118 -3.610 1.00 0.87 C ATOM 0 H LEU A 84 -2.503 -8.013 -4.385 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.557 -8.087 -2.300 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.369 -6.994 -5.113 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.934 -7.236 -4.363 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.455 -4.983 -3.999 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.111 -4.731 -1.577 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.234 -6.059 -1.958 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.556 -6.420 -1.486 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.301 -4.141 -3.130 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.663 -5.802 -3.126 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.100 -5.021 -4.664 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.173 -9.783 -3.399 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.906 -10.976 -3.814 1.00 0.48 C ATOM 1335 C HIS A 85 -7.183 -10.921 -5.315 1.00 0.42 C ATOM 1336 O HIS A 85 -7.357 -9.837 -5.870 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.225 -11.095 -3.037 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.082 -11.724 -1.684 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.150 -12.220 -0.971 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -6.990 -11.938 -0.912 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.725 -12.707 0.179 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.418 -12.547 0.239 1.00 1.10 N ATOM 0 H HIS A 85 -6.676 -9.188 -2.740 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.297 -11.853 -3.596 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.657 -10.101 -2.920 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.930 -11.682 -3.626 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -5.971 -11.677 -1.158 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.342 -13.159 0.941 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -6.822 -12.831 1.016 1.00 1.10 H new ATOM 1351 N PRO A 86 -7.223 -12.081 -5.995 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.478 -12.146 -7.441 1.00 0.44 C ATOM 1353 C PRO A 86 -8.824 -11.535 -7.811 1.00 0.40 C ATOM 1354 O PRO A 86 -8.983 -10.930 -8.875 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.461 -13.649 -7.753 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.648 -14.327 -6.438 1.00 0.57 C ATOM 1357 CD PRO A 86 -7.030 -13.420 -5.414 1.00 0.53 C ATOM 0 HA PRO A 86 -6.739 -11.581 -8.010 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.256 -13.915 -8.449 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.520 -13.944 -8.217 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.706 -14.488 -6.229 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.169 -15.306 -6.432 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.520 -13.513 -4.445 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.974 -13.645 -5.261 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.786 -11.690 -6.913 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.128 -11.163 -7.109 1.00 0.43 C ATOM 1367 C ASP A 87 -11.096 -9.642 -7.125 1.00 0.41 C ATOM 1368 O ASP A 87 -11.793 -8.999 -7.907 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.066 -11.649 -5.997 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.654 -12.991 -5.421 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.638 -13.045 -4.691 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.346 -14.000 -5.685 1.00 1.30 O ATOM 0 H ASP A 87 -9.658 -12.184 -6.030 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.502 -11.525 -8.067 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -12.088 -10.908 -5.198 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.080 -11.724 -6.391 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.258 -9.075 -6.277 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.128 -7.626 -6.185 1.00 0.50 C ATOM 1379 C ASP A 88 -9.075 -7.128 -7.161 1.00 0.49 C ATOM 1380 O ASP A 88 -8.772 -5.939 -7.215 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.738 -7.206 -4.766 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.745 -7.643 -3.721 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.932 -7.823 -4.063 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.353 -7.809 -2.545 1.00 1.20 O ATOM 0 H ASP A 88 -9.654 -9.594 -5.639 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.093 -7.185 -6.434 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.763 -7.629 -4.523 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.633 -6.122 -4.730 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.522 -8.049 -7.934 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.488 -7.708 -8.892 1.00 0.51 C ATOM 1391 C ARG A 89 -8.032 -7.622 -10.313 1.00 0.57 C ATOM 1392 O ARG A 89 -7.831 -6.618 -10.992 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.354 -8.733 -8.831 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.046 -8.231 -9.424 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.968 -9.306 -9.400 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.672 -9.772 -8.042 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.453 -10.126 -7.619 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.404 -10.038 -8.429 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.275 -10.564 -6.383 1.00 0.81 N ATOM 0 H ARG A 89 -8.773 -9.037 -7.915 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.107 -6.723 -8.623 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.187 -9.016 -7.792 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.661 -9.634 -9.361 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.213 -7.906 -10.451 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.704 -7.360 -8.865 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.288 -10.151 -10.009 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.057 -8.914 -9.853 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.444 -9.830 -7.378 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.524 -9.698 -9.383 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.479 -10.310 -8.097 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.069 -10.633 -5.747 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.343 -10.832 -6.066 1.00 0.81 H new ATOM 1413 N SER A 90 -8.716 -8.665 -10.769 1.00 0.50 N ATOM 1414 CA SER A 90 -9.237 -8.673 -12.133 1.00 0.59 C ATOM 1415 C SER A 90 -10.765 -8.775 -12.195 1.00 0.57 C ATOM 1416 O SER A 90 -11.369 -8.395 -13.200 1.00 0.88 O ATOM 1417 CB SER A 90 -8.607 -9.828 -12.914 1.00 0.71 C ATOM 1418 OG SER A 90 -7.231 -9.973 -12.593 1.00 1.16 O ATOM 0 H SER A 90 -8.921 -9.504 -10.226 1.00 0.50 H new ATOM 0 HA SER A 90 -8.969 -7.717 -12.582 1.00 0.59 H new ATOM 0 HB2 SER A 90 -9.136 -10.754 -12.689 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.717 -9.650 -13.984 1.00 0.71 H new ATOM 0 HG SER A 90 -6.853 -10.719 -13.104 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.390 -9.277 -11.138 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.843 -9.425 -11.130 1.00 0.49 C ATOM 1426 C LYS A 91 -13.537 -8.100 -10.840 1.00 0.51 C ATOM 1427 O LYS A 91 -14.357 -7.638 -11.634 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.285 -10.463 -10.099 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.954 -11.895 -10.478 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.541 -12.876 -9.477 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.646 -14.276 -10.055 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.710 -14.377 -11.090 1.00 1.76 N ATOM 0 H LYS A 91 -10.923 -9.585 -10.285 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.133 -9.763 -12.125 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.813 -10.233 -9.143 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -14.362 -10.377 -9.952 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -13.343 -12.110 -11.473 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -11.872 -12.021 -10.524 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -12.919 -12.898 -8.582 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.530 -12.534 -9.170 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.688 -14.560 -10.491 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.853 -14.984 -9.253 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -14.946 -15.377 -11.249 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -15.558 -13.868 -10.767 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.371 -13.956 -11.979 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.209 -7.511 -9.690 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.788 -6.238 -9.249 1.00 0.55 C ATOM 1448 C LEU A 92 -15.251 -6.417 -8.841 1.00 0.58 C ATOM 1449 O LEU A 92 -15.961 -5.444 -8.593 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.662 -5.155 -10.333 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.466 -4.206 -10.190 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.560 -3.421 -8.891 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.152 -4.973 -10.261 1.00 0.90 C ATOM 0 H LEU A 92 -12.533 -7.903 -9.035 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.222 -5.907 -8.378 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.599 -5.645 -11.305 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.576 -4.561 -10.334 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.490 -3.501 -11.021 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.703 -2.753 -8.807 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.479 -2.835 -8.886 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.566 -4.112 -8.048 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.319 -4.278 -10.157 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.115 -5.707 -9.456 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.080 -5.484 -11.221 1.00 0.90 H new ATOM 1465 N SER A 93 -15.693 -7.665 -8.772 1.00 0.52 N ATOM 1466 CA SER A 93 -17.057 -7.981 -8.385 1.00 0.57 C ATOM 1467 C SER A 93 -17.166 -8.034 -6.862 1.00 0.58 C ATOM 1468 O SER A 93 -16.930 -9.081 -6.248 1.00 0.70 O ATOM 1469 CB SER A 93 -17.477 -9.322 -8.988 1.00 0.62 C ATOM 1470 OG SER A 93 -16.709 -9.628 -10.147 1.00 0.70 O ATOM 0 H SER A 93 -15.118 -8.481 -8.982 1.00 0.52 H new ATOM 0 HA SER A 93 -17.721 -7.203 -8.762 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.353 -10.112 -8.247 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.535 -9.292 -9.247 1.00 0.62 H new ATOM 0 HG SER A 93 -16.997 -10.491 -10.512 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.498 -6.904 -6.257 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.620 -6.817 -4.811 1.00 0.60 C ATOM 1478 C LYS A 94 -18.653 -5.763 -4.419 1.00 0.71 C ATOM 1479 O LYS A 94 -18.593 -4.630 -4.897 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.268 -6.455 -4.197 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.004 -7.114 -2.852 1.00 0.73 C ATOM 1482 CD LYS A 94 -15.370 -8.485 -3.022 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.375 -8.774 -1.910 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.299 -7.751 -1.847 1.00 0.93 N ATOM 0 H LYS A 94 -17.689 -6.031 -6.748 1.00 0.57 H new ATOM 0 HA LYS A 94 -17.946 -7.787 -4.435 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.477 -6.740 -4.891 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.213 -5.373 -4.077 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -15.348 -6.479 -2.256 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.940 -7.210 -2.302 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -16.147 -9.250 -3.026 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.866 -8.538 -3.987 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.899 -8.809 -0.955 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -13.932 -9.757 -2.066 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.546 -8.078 -1.208 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.906 -7.602 -2.798 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.691 -6.856 -1.490 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.622 -6.116 -3.557 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.644 -5.176 -3.100 1.00 0.92 C ATOM 1500 C PRO A 95 -20.060 -4.175 -2.109 1.00 0.95 C ATOM 1501 O PRO A 95 -19.627 -4.552 -1.017 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.695 -6.065 -2.413 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.281 -7.477 -2.675 1.00 1.05 C ATOM 1504 CD PRO A 95 -19.807 -7.445 -2.962 1.00 0.84 C ATOM 0 HA PRO A 95 -21.060 -4.587 -3.918 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -21.736 -5.863 -1.343 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.690 -5.871 -2.812 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.494 -8.110 -1.813 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.831 -7.892 -3.519 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.215 -7.568 -2.055 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -19.511 -8.240 -3.646 1.00 0.84 H new ATOM 1512 N MET A 96 -20.036 -2.906 -2.493 1.00 1.06 N ATOM 1513 CA MET A 96 -19.481 -1.864 -1.635 1.00 1.14 C ATOM 1514 C MET A 96 -20.491 -1.405 -0.589 1.00 1.16 C ATOM 1515 O MET A 96 -20.320 -1.692 0.595 1.00 1.25 O ATOM 1516 CB MET A 96 -19.008 -0.666 -2.463 1.00 1.31 C ATOM 1517 CG MET A 96 -18.185 0.331 -1.657 1.00 1.38 C ATOM 1518 SD MET A 96 -17.387 1.585 -2.684 1.00 1.63 S ATOM 1519 CE MET A 96 -18.812 2.491 -3.278 1.00 1.94 C ATOM 0 H MET A 96 -20.392 -2.573 -3.389 1.00 1.06 H new ATOM 0 HA MET A 96 -18.624 -2.296 -1.118 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.412 -1.025 -3.302 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.876 -0.157 -2.882 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.831 0.823 -0.930 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.423 -0.207 -1.093 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.540 3.535 -3.434 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.151 2.059 -4.220 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.614 2.431 -2.542 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.533 -0.699 -1.036 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.585 -0.183 -0.148 1.00 1.22 C ATOM 1531 C GLU A 97 -22.037 0.900 0.787 1.00 1.29 C ATOM 1532 O GLU A 97 -21.255 0.623 1.700 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.223 -1.325 0.656 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.334 -0.880 1.592 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.000 -2.046 2.294 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.285 -2.847 2.932 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.239 -2.173 2.202 1.00 2.57 O ATOM 0 H GLU A 97 -21.673 -0.468 -2.020 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.356 0.272 -0.769 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.622 -2.065 -0.038 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.448 -1.821 1.240 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.926 -0.196 2.336 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.082 -0.325 1.026 1.00 1.50 H new ATOM 1544 N THR A 98 -22.451 2.138 0.558 1.00 1.31 N ATOM 1545 CA THR A 98 -21.996 3.253 1.371 1.00 1.40 C ATOM 1546 C THR A 98 -22.918 4.458 1.197 1.00 1.39 C ATOM 1547 O THR A 98 -23.811 4.439 0.345 1.00 1.35 O ATOM 1548 CB THR A 98 -20.538 3.640 1.022 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.969 4.429 2.073 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.463 4.411 -0.289 1.00 1.37 C ATOM 0 H THR A 98 -23.101 2.394 -0.185 1.00 1.31 H new ATOM 0 HA THR A 98 -22.025 2.938 2.414 1.00 1.40 H new ATOM 0 HB THR A 98 -19.971 2.716 0.909 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.047 4.666 1.842 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.425 4.666 -0.502 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.859 3.795 -1.097 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.052 5.325 -0.208 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.692 5.486 2.016 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.484 6.716 1.986 1.00 1.48 C ATOM 1560 C LEU A 99 -24.954 6.427 2.265 1.00 1.52 C ATOM 1561 O LEU A 99 -25.826 6.708 1.442 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.320 7.435 0.645 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.959 8.100 0.423 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.868 8.658 -0.989 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.727 9.201 1.448 1.00 1.61 C ATOM 0 H LEU A 99 -21.954 5.489 2.720 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.114 7.372 2.774 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.491 6.717 -0.157 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.096 8.196 0.562 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.182 7.347 0.549 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.895 9.128 -1.133 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.990 7.848 -1.709 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.654 9.398 -1.139 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.755 9.661 1.274 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.508 9.956 1.354 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.752 8.775 2.451 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.214 5.863 3.433 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.567 5.526 3.846 1.00 1.68 C ATOM 1579 C ILE A 100 -26.921 6.225 5.154 1.00 1.72 C ATOM 1580 O ILE A 100 -28.011 6.044 5.701 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.736 4.001 4.020 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.557 3.422 4.809 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.863 3.325 2.663 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.665 1.935 5.068 1.00 1.79 C ATOM 0 H ILE A 100 -24.497 5.627 4.119 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.241 5.866 3.060 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.650 3.811 4.583 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.635 3.620 4.263 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.480 3.943 5.764 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.981 2.250 2.802 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.733 3.721 2.139 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.966 3.518 2.075 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.794 1.600 5.631 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.569 1.730 5.642 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.710 1.403 4.118 1.00 1.79 H new ATOM 1596 N THR A 101 -25.993 7.029 5.645 1.00 1.73 N ATOM 1597 CA THR A 101 -26.184 7.757 6.887 1.00 1.77 C ATOM 1598 C THR A 101 -25.842 9.232 6.698 1.00 1.85 C ATOM 1599 O THR A 101 -24.992 9.575 5.871 1.00 1.80 O ATOM 1600 CB THR A 101 -25.301 7.166 8.003 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.848 5.857 7.618 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.069 7.072 9.315 1.00 1.98 C ATOM 0 H THR A 101 -25.092 7.195 5.197 1.00 1.73 H new ATOM 0 HA THR A 101 -27.231 7.665 7.174 1.00 1.77 H new ATOM 0 HB THR A 101 -24.446 7.826 8.150 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.285 5.484 8.328 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.423 6.652 10.086 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.395 8.067 9.618 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.940 6.430 9.182 1.00 1.98 H new ATOM 1610 N THR A 102 -26.510 10.100 7.443 1.00 2.05 N ATOM 1611 CA THR A 102 -26.257 11.528 7.349 1.00 2.18 C ATOM 1612 C THR A 102 -25.235 11.961 8.393 1.00 2.11 C ATOM 1613 O THR A 102 -25.547 12.101 9.577 1.00 2.23 O ATOM 1614 CB THR A 102 -27.553 12.339 7.524 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.589 11.764 6.721 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.347 13.793 7.125 1.00 2.72 C ATOM 0 H THR A 102 -27.230 9.840 8.118 1.00 2.05 H new ATOM 0 HA THR A 102 -25.859 11.726 6.354 1.00 2.18 H new ATOM 0 HB THR A 102 -27.838 12.309 8.576 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.415 12.280 6.834 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.279 14.343 7.259 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.572 14.236 7.750 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.043 13.844 6.080 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.006 12.158 7.949 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.931 12.571 8.835 1.00 2.08 C ATOM 1626 C VAL A 103 -22.718 14.076 8.743 1.00 2.14 C ATOM 1627 O VAL A 103 -21.688 14.601 9.172 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.611 11.839 8.509 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.732 10.353 8.818 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.224 12.045 7.052 1.00 1.94 C ATOM 0 H VAL A 103 -23.727 12.038 6.975 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.225 12.306 9.851 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.826 12.262 9.136 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.792 9.855 8.582 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.958 10.219 9.876 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.533 9.921 8.218 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.291 11.520 6.846 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.011 11.653 6.408 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.092 13.109 6.858 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.708 14.759 8.190 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.656 16.205 8.034 1.00 2.30 C ATOM 1642 C ASP A 104 -24.308 16.888 9.223 1.00 2.65 C ATOM 1643 O ASP A 104 -25.525 16.707 9.418 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.355 16.634 6.742 1.00 2.32 C ATOM 1645 CG ASP A 104 -23.434 16.578 5.545 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -23.067 15.463 5.119 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -23.064 17.647 5.022 1.00 2.54 O ATOM 0 H ASP A 104 -24.565 14.331 7.839 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.609 16.504 7.982 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -25.216 15.989 6.566 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.736 17.649 6.857 1.00 2.32 H new