USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 64 SER OG : rot -152:sc= 0.868 USER MOD Set 1.2: A 94 CYS SG : rot -59:sc= 0.712 USER MOD Set 2.1: A 33 TYR OH : rot 63:sc= 0.0316 USER MOD Set 2.2: A 62 CYS SG : rot 180:sc= 0.0307 USER MOD Single : A 21 THR OG1 : rot 123:sc= 0.565 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 25 THR OG1 : rot -80:sc= 0.635 USER MOD Single : A 39 MET CE :methyl -174:sc= -1.39 (180deg=-1.61) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 37:sc= 1.05 USER MOD Single : A 53 SER OG : rot 99:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -44:sc= 0.817 USER MOD Single : A 68 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 71 MET CE :methyl -142:sc= -0.635 (180deg=-5.21!) USER MOD Single : A 74 THR OG1 : rot 60:sc= 0.444 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -30:sc= 0.168 USER MOD Single : A 83 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.031) USER MOD Single : A 87 MET CE :methyl 137:sc= -0.955 (180deg=-3.39!) USER MOD Single : A 95 THR OG1 : rot 42:sc= 0.0445 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 108 SER OG : rot -100:sc= -0.658! USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= -0.0784 USER MOD Single : A 121 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 20 15.021 -9.900 4.456 1.00 10.18 N ATOM 2 CA GLY A 20 13.645 -10.335 4.786 1.00 9.43 C ATOM 3 C GLY A 20 12.889 -9.271 5.548 1.00 8.28 C ATOM 4 O GLY A 20 13.494 -8.387 6.163 1.00 7.90 O ATOM 0 HA2 GLY A 20 13.109 -10.575 3.868 1.00 9.43 H new ATOM 0 HA3 GLY A 20 13.685 -11.248 5.379 1.00 9.43 H new ATOM 10 N THR A 21 11.572 -9.348 5.506 1.00 7.85 N ATOM 11 CA THR A 21 10.727 -8.363 6.153 1.00 6.80 C ATOM 12 C THR A 21 9.746 -9.023 7.114 1.00 6.02 C ATOM 13 O THR A 21 9.357 -10.179 6.927 1.00 6.28 O ATOM 14 CB THR A 21 9.941 -7.552 5.104 1.00 6.86 C ATOM 15 OG1 THR A 21 9.344 -8.438 4.146 1.00 7.76 O ATOM 16 CG2 THR A 21 10.845 -6.556 4.392 1.00 7.10 C ATOM 0 H THR A 21 11.061 -10.089 5.026 1.00 7.85 H new ATOM 0 HA THR A 21 11.377 -7.695 6.718 1.00 6.80 H new ATOM 0 HB THR A 21 9.159 -6.996 5.621 1.00 6.86 H new ATOM 0 HG1 THR A 21 8.375 -8.290 4.123 1.00 7.76 H new ATOM 0 HG21 THR A 21 10.264 -5.998 3.658 1.00 7.10 H new ATOM 0 HG22 THR A 21 11.270 -5.865 5.120 1.00 7.10 H new ATOM 0 HG23 THR A 21 11.650 -7.091 3.887 1.00 7.10 H new ATOM 24 N PRO A 22 9.360 -8.305 8.181 1.00 5.40 N ATOM 25 CA PRO A 22 8.287 -8.739 9.079 1.00 4.94 C ATOM 26 C PRO A 22 6.966 -8.839 8.323 1.00 4.22 C ATOM 27 O PRO A 22 6.717 -8.055 7.405 1.00 3.77 O ATOM 28 CB PRO A 22 8.222 -7.625 10.135 1.00 4.80 C ATOM 29 CG PRO A 22 9.535 -6.931 10.044 1.00 5.20 C ATOM 30 CD PRO A 22 9.950 -7.027 8.606 1.00 5.57 C ATOM 0 HA PRO A 22 8.468 -9.723 9.513 1.00 4.94 H new ATOM 0 HB2 PRO A 22 7.399 -6.939 9.935 1.00 4.80 H new ATOM 0 HB3 PRO A 22 8.061 -8.035 11.132 1.00 4.80 H new ATOM 0 HG2 PRO A 22 9.450 -5.891 10.358 1.00 5.20 H new ATOM 0 HG3 PRO A 22 10.272 -7.401 10.696 1.00 5.20 H new ATOM 0 HD2 PRO A 22 9.570 -6.191 8.019 1.00 5.57 H new ATOM 0 HD3 PRO A 22 11.035 -7.026 8.497 1.00 5.57 H new ATOM 38 N PRO A 23 6.097 -9.794 8.716 1.00 4.46 N ATOM 39 CA PRO A 23 4.864 -10.132 7.980 1.00 4.09 C ATOM 40 C PRO A 23 3.937 -8.940 7.739 1.00 2.90 C ATOM 41 O PRO A 23 3.016 -9.022 6.925 1.00 3.02 O ATOM 42 CB PRO A 23 4.170 -11.165 8.881 1.00 5.06 C ATOM 43 CG PRO A 23 4.840 -11.045 10.208 1.00 5.96 C ATOM 44 CD PRO A 23 6.248 -10.627 9.917 1.00 5.49 C ATOM 0 HA PRO A 23 5.103 -10.494 6.980 1.00 4.09 H new ATOM 0 HB2 PRO A 23 3.102 -10.963 8.960 1.00 5.06 H new ATOM 0 HB3 PRO A 23 4.275 -12.172 8.477 1.00 5.06 H new ATOM 0 HG2 PRO A 23 4.336 -10.310 10.836 1.00 5.96 H new ATOM 0 HG3 PRO A 23 4.817 -11.993 10.745 1.00 5.96 H new ATOM 0 HD2 PRO A 23 6.684 -10.068 10.745 1.00 5.49 H new ATOM 0 HD3 PRO A 23 6.896 -11.485 9.736 1.00 5.49 H new ATOM 52 N SER A 24 4.181 -7.848 8.455 1.00 2.34 N ATOM 53 CA SER A 24 3.420 -6.619 8.291 1.00 1.74 C ATOM 54 C SER A 24 3.548 -6.081 6.866 1.00 1.44 C ATOM 55 O SER A 24 2.598 -5.540 6.304 1.00 2.02 O ATOM 56 CB SER A 24 3.936 -5.571 9.274 1.00 2.46 C ATOM 57 OG SER A 24 4.198 -6.147 10.543 1.00 2.89 O ATOM 0 H SER A 24 4.912 -7.792 9.164 1.00 2.34 H new ATOM 0 HA SER A 24 2.369 -6.834 8.486 1.00 1.74 H new ATOM 0 HB2 SER A 24 4.846 -5.117 8.882 1.00 2.46 H new ATOM 0 HB3 SER A 24 3.201 -4.773 9.378 1.00 2.46 H new ATOM 0 HG SER A 24 4.529 -5.456 11.154 1.00 2.89 H new ATOM 63 N THR A 25 4.736 -6.228 6.286 1.00 1.09 N ATOM 64 CA THR A 25 5.010 -5.685 4.965 1.00 0.85 C ATOM 65 C THR A 25 5.849 -6.681 4.164 1.00 1.01 C ATOM 66 O THR A 25 6.751 -7.311 4.714 1.00 1.99 O ATOM 67 CB THR A 25 5.766 -4.340 5.054 1.00 0.70 C ATOM 68 OG1 THR A 25 7.174 -4.564 5.220 1.00 0.83 O ATOM 69 CG2 THR A 25 5.279 -3.491 6.212 1.00 0.96 C ATOM 0 H THR A 25 5.522 -6.719 6.712 1.00 1.09 H new ATOM 0 HA THR A 25 4.055 -5.511 4.468 1.00 0.85 H new ATOM 0 HB THR A 25 5.572 -3.811 4.121 1.00 0.70 H new ATOM 0 HG1 THR A 25 7.364 -4.772 6.159 1.00 0.83 H new ATOM 0 HG21 THR A 25 5.837 -2.555 6.237 1.00 0.96 H new ATOM 0 HG22 THR A 25 4.218 -3.277 6.085 1.00 0.96 H new ATOM 0 HG23 THR A 25 5.431 -4.030 7.147 1.00 0.96 H new ATOM 77 N ARG A 26 5.567 -6.821 2.875 1.00 0.78 N ATOM 78 CA ARG A 26 6.240 -7.842 2.078 1.00 0.81 C ATOM 79 C ARG A 26 7.328 -7.249 1.184 1.00 0.79 C ATOM 80 O ARG A 26 8.495 -7.617 1.292 1.00 0.95 O ATOM 81 CB ARG A 26 5.225 -8.606 1.225 1.00 1.04 C ATOM 82 CG ARG A 26 5.536 -10.092 1.079 1.00 1.15 C ATOM 83 CD ARG A 26 6.835 -10.341 0.324 1.00 1.19 C ATOM 84 NE ARG A 26 7.216 -11.753 0.355 1.00 1.65 N ATOM 85 CZ ARG A 26 7.994 -12.343 -0.556 1.00 1.90 C ATOM 86 NH1 ARG A 26 8.479 -11.650 -1.577 1.00 2.06 N ATOM 87 NH2 ARG A 26 8.299 -13.628 -0.435 1.00 2.51 N ATOM 0 H ARG A 26 4.890 -6.253 2.365 1.00 0.78 H new ATOM 0 HA ARG A 26 6.721 -8.529 2.774 1.00 0.81 H new ATOM 0 HB2 ARG A 26 4.235 -8.494 1.667 1.00 1.04 H new ATOM 0 HB3 ARG A 26 5.184 -8.154 0.234 1.00 1.04 H new ATOM 0 HG2 ARG A 26 5.601 -10.546 2.068 1.00 1.15 H new ATOM 0 HG3 ARG A 26 4.715 -10.583 0.556 1.00 1.15 H new ATOM 0 HD2 ARG A 26 6.723 -10.017 -0.711 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.632 -9.739 0.762 1.00 1.19 H new ATOM 0 HE ARG A 26 6.864 -12.325 1.123 1.00 1.65 H new ATOM 0 HH11 ARG A 26 8.259 -10.659 -1.671 1.00 2.06 H new ATOM 0 HH12 ARG A 26 9.073 -12.108 -2.268 1.00 2.06 H new ATOM 0 HH21 ARG A 26 7.939 -14.165 0.354 1.00 2.51 H new ATOM 0 HH22 ARG A 26 8.893 -14.079 -1.131 1.00 2.51 H new ATOM 101 N PHE A 27 6.952 -6.349 0.289 1.00 0.72 N ATOM 102 CA PHE A 27 7.897 -5.828 -0.691 1.00 0.77 C ATOM 103 C PHE A 27 8.227 -4.364 -0.432 1.00 0.71 C ATOM 104 O PHE A 27 7.411 -3.478 -0.683 1.00 0.72 O ATOM 105 CB PHE A 27 7.336 -6.005 -2.105 1.00 0.88 C ATOM 106 CG PHE A 27 8.222 -5.460 -3.195 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.378 -6.129 -3.564 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.903 -4.277 -3.847 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.196 -5.634 -4.559 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.719 -3.776 -4.844 1.00 1.35 C ATOM 111 CZ PHE A 27 9.847 -4.451 -5.213 1.00 1.51 C ATOM 0 H PHE A 27 6.009 -5.966 0.219 1.00 0.72 H new ATOM 0 HA PHE A 27 8.823 -6.395 -0.597 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.167 -7.066 -2.286 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.365 -5.514 -2.162 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.642 -7.050 -3.066 1.00 0.89 H new ATOM 0 HD2 PHE A 27 7.006 -3.741 -3.572 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.100 -6.158 -4.830 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.463 -2.847 -5.333 1.00 1.35 H new ATOM 0 HZ PHE A 27 10.469 -4.070 -6.010 1.00 1.51 H new ATOM 121 N PRO A 28 9.433 -4.090 0.086 1.00 0.72 N ATOM 122 CA PRO A 28 9.899 -2.725 0.291 1.00 0.81 C ATOM 123 C PRO A 28 10.324 -2.081 -1.031 1.00 1.01 C ATOM 124 O PRO A 28 10.577 -2.771 -2.023 1.00 2.02 O ATOM 125 CB PRO A 28 11.075 -2.898 1.252 1.00 0.91 C ATOM 126 CG PRO A 28 11.612 -4.256 0.952 1.00 1.03 C ATOM 127 CD PRO A 28 10.435 -5.088 0.504 1.00 0.76 C ATOM 0 HA PRO A 28 9.131 -2.061 0.688 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.832 -2.129 1.094 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.753 -2.820 2.290 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.374 -4.210 0.174 1.00 1.03 H new ATOM 0 HG3 PRO A 28 12.083 -4.691 1.833 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.705 -5.752 -0.318 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.060 -5.717 1.312 1.00 0.76 H new ATOM 135 N GLY A 29 10.400 -0.761 -1.045 1.00 0.67 N ATOM 136 CA GLY A 29 10.556 -0.035 -2.292 1.00 0.68 C ATOM 137 C GLY A 29 9.241 0.606 -2.673 1.00 0.65 C ATOM 138 O GLY A 29 9.197 1.703 -3.231 1.00 0.86 O ATOM 0 H GLY A 29 10.356 -0.174 -0.212 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.327 0.728 -2.186 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.884 -0.712 -3.080 1.00 0.68 H new ATOM 142 N VAL A 30 8.166 -0.094 -2.341 1.00 0.69 N ATOM 143 CA VAL A 30 6.832 0.467 -2.398 1.00 0.68 C ATOM 144 C VAL A 30 6.240 0.422 -1.001 1.00 0.70 C ATOM 145 O VAL A 30 5.893 -0.643 -0.490 1.00 0.75 O ATOM 146 CB VAL A 30 5.889 -0.274 -3.381 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.485 0.317 -3.322 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.415 -0.204 -4.806 1.00 1.15 C ATOM 0 H VAL A 30 8.198 -1.064 -2.026 1.00 0.69 H new ATOM 0 HA VAL A 30 6.920 1.488 -2.770 1.00 0.68 H new ATOM 0 HB VAL A 30 5.851 -1.320 -3.077 1.00 0.70 H new ATOM 0 HG11 VAL A 30 3.837 -0.215 -4.018 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.091 0.218 -2.311 1.00 1.01 H new ATOM 0 HG13 VAL A 30 4.522 1.372 -3.595 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.733 -0.732 -5.472 1.00 1.15 H new ATOM 0 HG22 VAL A 30 6.490 0.838 -5.115 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.400 -0.668 -4.853 1.00 1.15 H new ATOM 158 N ALA A 31 6.162 1.578 -0.376 1.00 0.71 N ATOM 159 CA ALA A 31 5.614 1.693 0.957 1.00 0.73 C ATOM 160 C ALA A 31 4.338 2.506 0.896 1.00 0.65 C ATOM 161 O ALA A 31 4.359 3.702 0.596 1.00 0.76 O ATOM 162 CB ALA A 31 6.628 2.324 1.897 1.00 0.84 C ATOM 0 H ALA A 31 6.476 2.462 -0.777 1.00 0.71 H new ATOM 0 HA ALA A 31 5.383 0.702 1.347 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.199 2.403 2.896 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.524 1.704 1.935 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.890 3.318 1.535 1.00 0.84 H new ATOM 168 N ILE A 32 3.229 1.845 1.144 1.00 0.57 N ATOM 169 CA ILE A 32 1.924 2.453 0.962 1.00 0.48 C ATOM 170 C ILE A 32 1.366 2.953 2.268 1.00 0.44 C ATOM 171 O ILE A 32 1.069 2.164 3.162 1.00 0.54 O ATOM 172 CB ILE A 32 0.929 1.449 0.385 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.624 0.615 -0.691 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.285 2.168 -0.178 1.00 0.49 C ATOM 175 CD1 ILE A 32 0.744 -0.413 -1.348 1.00 0.67 C ATOM 0 H ILE A 32 3.202 0.880 1.474 1.00 0.57 H new ATOM 0 HA ILE A 32 2.062 3.287 0.273 1.00 0.48 H new ATOM 0 HB ILE A 32 0.580 0.785 1.176 1.00 0.49 H new ATOM 0 HG12 ILE A 32 2.013 1.285 -1.458 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.481 0.110 -0.245 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.984 1.438 -0.585 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.773 2.734 0.615 1.00 0.49 H new ATOM 0 HG23 ILE A 32 0.030 2.849 -0.969 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.318 -0.958 -2.097 1.00 0.67 H new ATOM 0 HD12 ILE A 32 0.375 -1.110 -0.596 1.00 0.67 H new ATOM 0 HD13 ILE A 32 -0.100 0.083 -1.828 1.00 0.67 H new ATOM 187 N TYR A 33 1.207 4.250 2.368 1.00 0.38 N ATOM 188 CA TYR A 33 0.560 4.831 3.513 1.00 0.38 C ATOM 189 C TYR A 33 -0.842 5.234 3.121 1.00 0.34 C ATOM 190 O TYR A 33 -1.067 5.828 2.066 1.00 0.41 O ATOM 191 CB TYR A 33 1.344 6.046 4.022 1.00 0.54 C ATOM 192 CG TYR A 33 0.748 6.687 5.257 1.00 0.58 C ATOM 193 CD1 TYR A 33 0.722 6.013 6.472 1.00 1.01 C ATOM 194 CD2 TYR A 33 0.217 7.969 5.208 1.00 0.56 C ATOM 195 CE1 TYR A 33 0.181 6.599 7.601 1.00 1.18 C ATOM 196 CE2 TYR A 33 -0.322 8.564 6.334 1.00 0.64 C ATOM 197 CZ TYR A 33 -0.337 7.874 7.527 1.00 0.90 C ATOM 198 OH TYR A 33 -0.866 8.463 8.656 1.00 1.11 O ATOM 0 H TYR A 33 1.518 4.923 1.667 1.00 0.38 H new ATOM 0 HA TYR A 33 0.523 4.100 4.321 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.367 5.740 4.241 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.397 6.791 3.228 1.00 0.54 H new ATOM 0 HD1 TYR A 33 1.131 5.015 6.535 1.00 1.01 H new ATOM 0 HD2 TYR A 33 0.225 8.511 4.274 1.00 0.56 H new ATOM 0 HE1 TYR A 33 0.164 6.060 8.537 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -0.729 9.563 6.279 1.00 0.64 H new ATOM 0 HH TYR A 33 -0.161 8.573 9.328 1.00 1.11 H new ATOM 208 N LEU A 34 -1.773 4.930 3.993 1.00 0.33 N ATOM 209 CA LEU A 34 -3.177 5.117 3.688 1.00 0.36 C ATOM 210 C LEU A 34 -3.798 6.037 4.714 1.00 0.31 C ATOM 211 O LEU A 34 -3.602 5.862 5.918 1.00 0.35 O ATOM 212 CB LEU A 34 -3.939 3.792 3.673 1.00 0.45 C ATOM 213 CG LEU A 34 -3.386 2.720 2.742 1.00 0.64 C ATOM 214 CD1 LEU A 34 -2.413 1.807 3.475 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.524 1.931 2.128 1.00 1.06 C ATOM 0 H LEU A 34 -1.587 4.551 4.922 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.245 5.555 2.692 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.956 3.393 4.687 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.973 3.992 3.392 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.831 3.207 1.940 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.034 1.052 2.787 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -1.581 2.396 3.861 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -2.926 1.318 4.303 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -4.120 1.167 1.464 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -5.105 1.455 2.918 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -5.167 2.603 1.559 1.00 1.06 H new ATOM 227 N VAL A 35 -4.532 7.025 4.244 1.00 0.31 N ATOM 228 CA VAL A 35 -5.241 7.916 5.138 1.00 0.34 C ATOM 229 C VAL A 35 -6.545 7.259 5.565 1.00 0.46 C ATOM 230 O VAL A 35 -7.602 7.488 4.974 1.00 0.72 O ATOM 231 CB VAL A 35 -5.531 9.275 4.485 1.00 0.42 C ATOM 232 CG1 VAL A 35 -6.006 10.289 5.518 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.304 9.791 3.746 1.00 1.39 C ATOM 0 H VAL A 35 -4.653 7.230 3.252 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.608 8.101 6.006 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.333 9.135 3.760 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.204 11.242 5.028 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.919 9.927 5.990 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -5.235 10.424 6.276 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.532 10.755 3.291 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.479 9.907 4.448 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.022 9.081 2.969 1.00 1.39 H new ATOM 243 N GLU A 36 -6.436 6.414 6.574 1.00 0.59 N ATOM 244 CA GLU A 36 -7.569 5.668 7.118 1.00 0.77 C ATOM 245 C GLU A 36 -8.724 6.590 7.552 1.00 0.71 C ATOM 246 O GLU A 36 -9.880 6.278 7.276 1.00 0.79 O ATOM 247 CB GLU A 36 -7.107 4.778 8.278 1.00 1.03 C ATOM 248 CG GLU A 36 -8.187 3.859 8.831 1.00 1.76 C ATOM 249 CD GLU A 36 -7.642 2.883 9.852 1.00 1.96 C ATOM 250 OE1 GLU A 36 -7.135 3.335 10.900 1.00 2.34 O ATOM 251 OE2 GLU A 36 -7.714 1.656 9.611 1.00 2.24 O ATOM 0 H GLU A 36 -5.553 6.221 7.047 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.960 5.035 6.321 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -6.267 4.171 7.942 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -6.739 5.413 9.084 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -8.973 4.460 9.289 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -8.645 3.306 8.011 1.00 1.76 H new ATOM 258 N PRO A 37 -8.449 7.735 8.226 1.00 0.70 N ATOM 259 CA PRO A 37 -9.491 8.729 8.553 1.00 0.83 C ATOM 260 C PRO A 37 -10.172 9.329 7.312 1.00 0.90 C ATOM 261 O PRO A 37 -11.053 10.181 7.429 1.00 1.46 O ATOM 262 CB PRO A 37 -8.733 9.822 9.318 1.00 0.91 C ATOM 263 CG PRO A 37 -7.296 9.607 8.984 1.00 0.91 C ATOM 264 CD PRO A 37 -7.144 8.129 8.789 1.00 0.73 C ATOM 0 HA PRO A 37 -10.301 8.270 9.120 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -9.063 10.816 9.016 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.904 9.742 10.392 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -7.018 10.152 8.082 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.650 9.965 9.785 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.324 7.893 8.111 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.938 7.617 9.729 1.00 0.73 H new ATOM 272 N ARG A 38 -9.750 8.894 6.131 1.00 0.89 N ATOM 273 CA ARG A 38 -10.378 9.300 4.881 1.00 0.93 C ATOM 274 C ARG A 38 -10.810 8.069 4.091 1.00 0.92 C ATOM 275 O ARG A 38 -10.665 8.019 2.870 1.00 1.42 O ATOM 276 CB ARG A 38 -9.419 10.151 4.037 1.00 0.99 C ATOM 277 CG ARG A 38 -9.237 11.578 4.539 1.00 1.31 C ATOM 278 CD ARG A 38 -10.518 12.391 4.418 1.00 1.06 C ATOM 279 NE ARG A 38 -11.035 12.404 3.048 1.00 1.41 N ATOM 280 CZ ARG A 38 -12.006 13.212 2.624 1.00 1.91 C ATOM 281 NH1 ARG A 38 -12.513 14.138 3.430 1.00 2.37 N ATOM 282 NH2 ARG A 38 -12.456 13.106 1.383 1.00 2.60 N ATOM 0 H ARG A 38 -8.966 8.252 6.013 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.254 9.903 5.119 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -8.446 9.661 4.010 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -9.788 10.184 3.012 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -8.917 11.558 5.581 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -8.444 12.064 3.971 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -11.274 11.978 5.086 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -10.330 13.414 4.744 1.00 1.06 H new ATOM 0 HE ARG A 38 -10.626 11.754 2.376 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -12.159 14.235 4.382 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -13.256 14.752 3.097 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -12.059 12.407 0.755 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -13.199 13.723 1.056 1.00 2.60 H new ATOM 296 N MET A 39 -11.313 7.065 4.809 1.00 0.73 N ATOM 297 CA MET A 39 -11.806 5.840 4.208 1.00 0.74 C ATOM 298 C MET A 39 -12.477 4.993 5.285 1.00 0.74 C ATOM 299 O MET A 39 -12.770 5.483 6.379 1.00 1.05 O ATOM 300 CB MET A 39 -10.660 5.054 3.550 1.00 0.80 C ATOM 301 CG MET A 39 -9.589 4.578 4.518 1.00 1.19 C ATOM 302 SD MET A 39 -8.263 3.670 3.692 1.00 1.27 S ATOM 303 CE MET A 39 -7.516 4.965 2.703 1.00 0.61 C ATOM 0 H MET A 39 -11.387 7.085 5.826 1.00 0.73 H new ATOM 0 HA MET A 39 -12.530 6.089 3.432 1.00 0.74 H new ATOM 0 HB2 MET A 39 -11.078 4.189 3.035 1.00 0.80 H new ATOM 0 HB3 MET A 39 -10.194 5.682 2.791 1.00 0.80 H new ATOM 0 HG2 MET A 39 -9.167 5.437 5.039 1.00 1.19 H new ATOM 0 HG3 MET A 39 -10.045 3.940 5.275 1.00 1.19 H new ATOM 0 HE1 MET A 39 -6.751 4.534 2.057 1.00 0.61 H new ATOM 0 HE2 MET A 39 -8.281 5.442 2.091 1.00 0.61 H new ATOM 0 HE3 MET A 39 -7.061 5.707 3.359 1.00 0.61 H new ATOM 313 N GLY A 40 -12.729 3.741 4.966 1.00 1.32 N ATOM 314 CA GLY A 40 -13.336 2.834 5.918 1.00 1.52 C ATOM 315 C GLY A 40 -12.465 1.622 6.182 1.00 1.39 C ATOM 316 O GLY A 40 -11.728 1.180 5.297 1.00 1.36 O ATOM 0 H GLY A 40 -12.523 3.328 4.056 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.518 3.360 6.855 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.306 2.509 5.541 1.00 1.52 H new ATOM 320 N ARG A 41 -12.549 1.090 7.399 1.00 1.34 N ATOM 321 CA ARG A 41 -11.741 -0.059 7.803 1.00 1.26 C ATOM 322 C ARG A 41 -12.070 -1.295 6.972 1.00 1.15 C ATOM 323 O ARG A 41 -11.202 -2.134 6.750 1.00 1.03 O ATOM 324 CB ARG A 41 -11.951 -0.371 9.290 1.00 1.42 C ATOM 325 CG ARG A 41 -13.305 -0.991 9.609 1.00 1.79 C ATOM 326 CD ARG A 41 -13.351 -1.523 11.028 1.00 1.72 C ATOM 327 NE ARG A 41 -14.543 -2.338 11.271 1.00 2.20 N ATOM 328 CZ ARG A 41 -14.544 -3.461 11.990 1.00 2.49 C ATOM 329 NH1 ARG A 41 -13.436 -3.864 12.600 1.00 2.51 N ATOM 330 NH2 ARG A 41 -15.664 -4.160 12.120 1.00 3.20 N ATOM 0 H ARG A 41 -13.173 1.439 8.127 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.697 0.203 7.632 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -11.165 -1.049 9.623 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -11.841 0.550 9.863 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -14.089 -0.246 9.473 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -13.510 -1.801 8.909 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -12.459 -2.119 11.221 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -13.334 -0.688 11.729 1.00 1.72 H new ATOM 0 HE ARG A 41 -15.426 -2.028 10.866 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -12.581 -3.314 12.519 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.440 -4.723 13.149 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -16.521 -3.838 11.671 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -15.668 -5.019 12.669 1.00 3.20 H new ATOM 344 N SER A 42 -13.315 -1.400 6.514 1.00 1.23 N ATOM 345 CA SER A 42 -13.752 -2.553 5.736 1.00 1.19 C ATOM 346 C SER A 42 -12.908 -2.691 4.472 1.00 1.02 C ATOM 347 O SER A 42 -12.337 -3.750 4.201 1.00 0.94 O ATOM 348 CB SER A 42 -15.236 -2.420 5.377 1.00 1.38 C ATOM 349 OG SER A 42 -15.715 -3.582 4.717 1.00 2.00 O ATOM 0 H SER A 42 -14.039 -0.699 6.669 1.00 1.23 H new ATOM 0 HA SER A 42 -13.620 -3.451 6.339 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.817 -2.249 6.283 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.380 -1.550 4.736 1.00 1.38 H new ATOM 0 HG SER A 42 -16.664 -3.468 4.502 1.00 2.00 H new ATOM 355 N ARG A 43 -12.819 -1.610 3.709 1.00 1.01 N ATOM 356 CA ARG A 43 -12.019 -1.603 2.497 1.00 0.91 C ATOM 357 C ARG A 43 -10.535 -1.547 2.851 1.00 0.74 C ATOM 358 O ARG A 43 -9.696 -2.085 2.133 1.00 0.60 O ATOM 359 CB ARG A 43 -12.404 -0.409 1.612 1.00 1.08 C ATOM 360 CG ARG A 43 -12.005 -0.552 0.144 1.00 1.13 C ATOM 361 CD ARG A 43 -10.550 -0.168 -0.100 1.00 1.08 C ATOM 362 NE ARG A 43 -10.366 1.281 -0.173 1.00 0.95 N ATOM 363 CZ ARG A 43 -9.859 2.029 0.803 1.00 1.74 C ATOM 364 NH1 ARG A 43 -9.485 1.482 1.953 1.00 2.48 N ATOM 365 NH2 ARG A 43 -9.734 3.334 0.625 1.00 2.23 N ATOM 0 H ARG A 43 -13.291 -0.728 3.910 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.212 -2.521 1.942 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.483 -0.264 1.669 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.939 0.491 2.015 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -12.165 -1.582 -0.175 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -12.652 0.076 -0.469 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -9.930 -0.571 0.701 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.207 -0.623 -1.029 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.646 1.751 -1.034 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -9.585 0.477 2.096 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -9.098 2.067 2.694 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -10.025 3.759 -0.255 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -9.346 3.915 1.368 1.00 2.23 H new ATOM 379 N ARG A 44 -10.208 -0.894 3.963 1.00 0.81 N ATOM 380 CA ARG A 44 -8.817 -0.768 4.374 1.00 0.77 C ATOM 381 C ARG A 44 -8.242 -2.141 4.689 1.00 0.68 C ATOM 382 O ARG A 44 -7.272 -2.559 4.071 1.00 0.62 O ATOM 383 CB ARG A 44 -8.674 0.179 5.573 1.00 0.95 C ATOM 384 CG ARG A 44 -7.350 0.936 5.592 1.00 0.98 C ATOM 385 CD ARG A 44 -6.226 0.140 6.242 1.00 1.46 C ATOM 386 NE ARG A 44 -6.163 0.373 7.684 1.00 1.62 N ATOM 387 CZ ARG A 44 -5.043 0.302 8.406 1.00 2.09 C ATOM 388 NH1 ARG A 44 -3.891 -0.046 7.842 1.00 2.72 N ATOM 389 NH2 ARG A 44 -5.083 0.583 9.697 1.00 2.57 N ATOM 0 H ARG A 44 -10.880 -0.449 4.588 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.251 -0.334 3.550 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.494 0.897 5.560 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -8.769 -0.396 6.494 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -7.066 1.189 4.570 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -7.481 1.876 6.129 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.375 -0.923 6.051 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -5.275 0.415 5.787 1.00 1.46 H new ATOM 0 HE ARG A 44 -7.030 0.604 8.169 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -3.856 -0.263 6.846 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -3.042 -0.096 8.405 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -5.965 0.851 10.133 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -4.232 0.531 10.257 1.00 2.57 H new ATOM 403 N ALA A 45 -8.843 -2.840 5.643 1.00 0.82 N ATOM 404 CA ALA A 45 -8.425 -4.203 5.984 1.00 0.77 C ATOM 405 C ALA A 45 -8.475 -5.142 4.777 1.00 0.61 C ATOM 406 O ALA A 45 -7.743 -6.132 4.711 1.00 0.58 O ATOM 407 CB ALA A 45 -9.294 -4.753 7.098 1.00 0.91 C ATOM 0 H ALA A 45 -9.623 -2.489 6.198 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.389 -4.149 6.317 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -8.974 -5.766 7.343 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.199 -4.120 7.980 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.334 -4.770 6.773 1.00 0.91 H new ATOM 413 N PHE A 46 -9.331 -4.812 3.825 1.00 0.63 N ATOM 414 CA PHE A 46 -9.492 -5.617 2.630 1.00 0.57 C ATOM 415 C PHE A 46 -8.224 -5.540 1.784 1.00 0.44 C ATOM 416 O PHE A 46 -7.647 -6.563 1.409 1.00 0.44 O ATOM 417 CB PHE A 46 -10.748 -5.157 1.875 1.00 0.69 C ATOM 418 CG PHE A 46 -10.622 -5.089 0.382 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.881 -6.208 -0.383 1.00 0.74 C ATOM 420 CD2 PHE A 46 -10.240 -3.921 -0.252 1.00 0.57 C ATOM 421 CE1 PHE A 46 -10.768 -6.170 -1.750 1.00 0.78 C ATOM 422 CE2 PHE A 46 -10.121 -3.875 -1.625 1.00 0.61 C ATOM 423 CZ PHE A 46 -10.395 -4.924 -2.375 1.00 0.71 C ATOM 0 H PHE A 46 -9.928 -3.986 3.859 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.636 -6.666 2.887 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.566 -5.834 2.122 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.029 -4.170 2.243 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -11.177 -7.127 0.101 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -10.033 -3.037 0.333 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -10.954 -7.052 -2.344 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -9.796 -2.959 -2.096 1.00 0.61 H new ATOM 0 HZ PHE A 46 -10.341 -4.851 -3.451 1.00 0.71 H new ATOM 433 N LEU A 47 -7.770 -4.323 1.540 1.00 0.39 N ATOM 434 CA LEU A 47 -6.530 -4.089 0.816 1.00 0.35 C ATOM 435 C LEU A 47 -5.336 -4.443 1.683 1.00 0.38 C ATOM 436 O LEU A 47 -4.248 -4.663 1.178 1.00 0.47 O ATOM 437 CB LEU A 47 -6.443 -2.634 0.372 1.00 0.36 C ATOM 438 CG LEU A 47 -6.218 -1.639 1.499 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.740 -1.332 1.669 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.024 -0.388 1.247 1.00 0.42 C ATOM 0 H LEU A 47 -8.247 -3.472 1.836 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.520 -4.727 -0.068 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.631 -2.536 -0.349 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.364 -2.371 -0.148 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.560 -2.081 2.435 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.608 -0.618 2.482 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.202 -2.251 1.902 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.348 -0.907 0.745 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.858 0.321 2.058 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.714 0.061 0.304 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.083 -0.641 1.197 1.00 0.42 H new ATOM 452 N THR A 48 -5.541 -4.524 2.992 1.00 0.40 N ATOM 453 CA THR A 48 -4.422 -4.716 3.901 1.00 0.48 C ATOM 454 C THR A 48 -3.859 -6.120 3.718 1.00 0.48 C ATOM 455 O THR A 48 -2.689 -6.281 3.360 1.00 0.57 O ATOM 456 CB THR A 48 -4.820 -4.495 5.378 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.254 -3.143 5.569 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.649 -4.786 6.308 1.00 0.69 C ATOM 0 H THR A 48 -6.455 -4.461 3.440 1.00 0.40 H new ATOM 0 HA THR A 48 -3.664 -3.971 3.658 1.00 0.48 H new ATOM 0 HB THR A 48 -5.633 -5.181 5.616 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.754 -2.845 4.780 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.956 -4.623 7.341 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.333 -5.822 6.182 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.819 -4.122 6.067 1.00 0.69 H new ATOM 466 N GLY A 49 -4.695 -7.136 3.932 1.00 0.45 N ATOM 467 CA GLY A 49 -4.259 -8.503 3.717 1.00 0.50 C ATOM 468 C GLY A 49 -3.931 -8.786 2.264 1.00 0.42 C ATOM 469 O GLY A 49 -3.078 -9.624 1.963 1.00 0.42 O ATOM 0 H GLY A 49 -5.660 -7.036 4.248 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.380 -8.701 4.330 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.040 -9.187 4.050 1.00 0.50 H new ATOM 473 N LEU A 50 -4.588 -8.067 1.362 1.00 0.43 N ATOM 474 CA LEU A 50 -4.354 -8.257 -0.060 1.00 0.42 C ATOM 475 C LEU A 50 -3.011 -7.670 -0.469 1.00 0.41 C ATOM 476 O LEU A 50 -2.155 -8.386 -0.971 1.00 0.46 O ATOM 477 CB LEU A 50 -5.471 -7.638 -0.900 1.00 0.44 C ATOM 478 CG LEU A 50 -6.790 -8.410 -0.895 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.788 -7.758 -1.836 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.557 -9.862 -1.284 1.00 0.48 C ATOM 0 H LEU A 50 -5.281 -7.354 1.589 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.343 -9.331 -0.246 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.658 -6.627 -0.539 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.124 -7.549 -1.929 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.202 -8.387 0.114 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.722 -8.319 -1.821 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.975 -6.733 -1.515 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.384 -7.753 -2.848 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.506 -10.398 -1.276 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.124 -9.906 -2.284 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -5.873 -10.324 -0.572 1.00 0.48 H new ATOM 492 N ALA A 51 -2.821 -6.383 -0.213 1.00 0.38 N ATOM 493 CA ALA A 51 -1.629 -5.665 -0.659 1.00 0.39 C ATOM 494 C ALA A 51 -0.355 -6.282 -0.093 1.00 0.43 C ATOM 495 O ALA A 51 0.657 -6.388 -0.792 1.00 0.47 O ATOM 496 CB ALA A 51 -1.729 -4.193 -0.283 1.00 0.38 C ATOM 0 H ALA A 51 -3.483 -5.807 0.307 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.575 -5.748 -1.744 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.835 -3.670 -0.621 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.607 -3.755 -0.758 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.817 -4.099 0.799 1.00 0.38 H new ATOM 502 N ARG A 52 -0.414 -6.702 1.169 1.00 0.45 N ATOM 503 CA ARG A 52 0.705 -7.395 1.800 1.00 0.51 C ATOM 504 C ARG A 52 1.058 -8.657 1.020 1.00 0.60 C ATOM 505 O ARG A 52 2.229 -8.947 0.784 1.00 0.75 O ATOM 506 CB ARG A 52 0.367 -7.757 3.252 1.00 0.54 C ATOM 507 CG ARG A 52 0.405 -6.573 4.206 1.00 1.12 C ATOM 508 CD ARG A 52 -0.286 -6.882 5.529 1.00 1.04 C ATOM 509 NE ARG A 52 0.245 -8.085 6.179 1.00 1.51 N ATOM 510 CZ ARG A 52 -0.210 -8.568 7.338 1.00 1.87 C ATOM 511 NH1 ARG A 52 -1.113 -7.895 8.037 1.00 1.75 N ATOM 512 NH2 ARG A 52 0.261 -9.713 7.819 1.00 2.79 N ATOM 0 H ARG A 52 -1.225 -6.574 1.774 1.00 0.45 H new ATOM 0 HA ARG A 52 1.565 -6.725 1.797 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.626 -8.205 3.283 1.00 0.54 H new ATOM 0 HB3 ARG A 52 1.069 -8.515 3.600 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.441 -6.293 4.395 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.076 -5.715 3.738 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -0.172 -6.031 6.201 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -1.354 -7.010 5.355 1.00 1.04 H new ATOM 0 HE ARG A 52 1.007 -8.582 5.718 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -1.465 -7.002 7.690 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.456 -8.270 8.921 1.00 1.75 H new ATOM 0 HH21 ARG A 52 0.974 -10.228 7.303 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -0.090 -10.077 8.705 1.00 2.79 H new ATOM 526 N SER A 53 0.041 -9.395 0.613 1.00 0.54 N ATOM 527 CA SER A 53 0.243 -10.636 -0.114 1.00 0.61 C ATOM 528 C SER A 53 0.541 -10.393 -1.598 1.00 0.61 C ATOM 529 O SER A 53 1.025 -11.292 -2.286 1.00 0.69 O ATOM 530 CB SER A 53 -0.997 -11.517 0.031 1.00 0.63 C ATOM 531 OG SER A 53 -1.361 -11.658 1.396 1.00 1.36 O ATOM 0 H SER A 53 -0.937 -9.155 0.774 1.00 0.54 H new ATOM 0 HA SER A 53 1.111 -11.137 0.314 1.00 0.61 H new ATOM 0 HB2 SER A 53 -1.825 -11.081 -0.527 1.00 0.63 H new ATOM 0 HB3 SER A 53 -0.803 -12.499 -0.401 1.00 0.63 H new ATOM 0 HG SER A 53 -2.086 -11.033 1.607 1.00 1.36 H new ATOM 537 N LYS A 54 0.263 -9.191 -2.091 1.00 0.57 N ATOM 538 CA LYS A 54 0.415 -8.916 -3.517 1.00 0.60 C ATOM 539 C LYS A 54 1.862 -8.641 -3.897 1.00 0.63 C ATOM 540 O LYS A 54 2.432 -9.366 -4.714 1.00 0.76 O ATOM 541 CB LYS A 54 -0.478 -7.760 -3.980 1.00 0.56 C ATOM 542 CG LYS A 54 -1.967 -8.060 -3.874 1.00 0.54 C ATOM 543 CD LYS A 54 -2.287 -9.471 -4.336 1.00 0.60 C ATOM 544 CE LYS A 54 -3.769 -9.776 -4.210 1.00 0.64 C ATOM 545 NZ LYS A 54 -4.064 -11.204 -4.493 1.00 0.83 N ATOM 0 H LYS A 54 -0.064 -8.401 -1.535 1.00 0.57 H new ATOM 0 HA LYS A 54 0.094 -9.822 -4.032 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.251 -6.876 -3.385 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.237 -7.518 -5.015 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.292 -7.932 -2.841 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.527 -7.344 -4.475 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.976 -9.594 -5.373 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.716 -10.187 -3.745 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.107 -9.527 -3.204 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.330 -9.145 -4.900 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -5.086 -11.373 -4.397 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.764 -11.435 -5.462 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.549 -11.805 -3.819 1.00 0.83 H new ATOM 559 N GLY A 55 2.476 -7.628 -3.295 1.00 0.56 N ATOM 560 CA GLY A 55 3.825 -7.258 -3.687 1.00 0.61 C ATOM 561 C GLY A 55 4.165 -5.824 -3.316 1.00 0.54 C ATOM 562 O GLY A 55 4.861 -5.132 -4.055 1.00 0.57 O ATOM 0 H GLY A 55 2.070 -7.061 -2.550 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.537 -7.932 -3.210 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.936 -7.388 -4.764 1.00 0.61 H new ATOM 566 N PHE A 56 3.656 -5.377 -2.172 1.00 0.50 N ATOM 567 CA PHE A 56 3.981 -4.054 -1.637 1.00 0.47 C ATOM 568 C PHE A 56 4.166 -4.161 -0.137 1.00 0.42 C ATOM 569 O PHE A 56 3.665 -5.112 0.470 1.00 0.65 O ATOM 570 CB PHE A 56 2.834 -3.075 -1.905 1.00 0.66 C ATOM 571 CG PHE A 56 2.162 -3.237 -3.239 1.00 0.56 C ATOM 572 CD1 PHE A 56 2.634 -2.569 -4.351 1.00 0.61 C ATOM 573 CD2 PHE A 56 1.048 -4.053 -3.372 1.00 0.53 C ATOM 574 CE1 PHE A 56 2.010 -2.709 -5.570 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.421 -4.197 -4.593 1.00 0.48 C ATOM 576 CZ PHE A 56 0.903 -3.523 -5.693 1.00 0.47 C ATOM 0 H PHE A 56 3.012 -5.914 -1.592 1.00 0.50 H new ATOM 0 HA PHE A 56 4.890 -3.695 -2.119 1.00 0.47 H new ATOM 0 HB2 PHE A 56 2.086 -3.192 -1.121 1.00 0.66 H new ATOM 0 HB3 PHE A 56 3.219 -2.058 -1.830 1.00 0.66 H new ATOM 0 HD1 PHE A 56 3.501 -1.931 -4.264 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.667 -4.581 -2.511 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.388 -2.180 -6.432 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.445 -4.836 -4.686 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.415 -3.632 -6.650 1.00 0.47 H new ATOM 586 N ARG A 57 4.898 -3.244 0.491 1.00 0.46 N ATOM 587 CA ARG A 57 4.915 -3.171 1.937 1.00 0.68 C ATOM 588 C ARG A 57 3.946 -2.109 2.439 1.00 0.79 C ATOM 589 O ARG A 57 3.909 -0.983 1.935 1.00 1.17 O ATOM 590 CB ARG A 57 6.354 -2.878 2.391 1.00 0.93 C ATOM 591 CG ARG A 57 6.538 -1.679 3.318 1.00 0.72 C ATOM 592 CD ARG A 57 8.002 -1.527 3.701 1.00 1.01 C ATOM 593 NE ARG A 57 8.214 -0.602 4.815 1.00 1.72 N ATOM 594 CZ ARG A 57 8.473 -0.991 6.065 1.00 2.00 C ATOM 595 NH1 ARG A 57 8.410 -2.279 6.397 1.00 1.80 N ATOM 596 NH2 ARG A 57 8.778 -0.091 6.986 1.00 3.00 N ATOM 0 H ARG A 57 5.480 -2.550 0.021 1.00 0.46 H new ATOM 0 HA ARG A 57 4.588 -4.121 2.361 1.00 0.68 H new ATOM 0 HB2 ARG A 57 6.741 -3.763 2.895 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.968 -2.723 1.504 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.188 -0.772 2.824 1.00 0.72 H new ATOM 0 HG3 ARG A 57 5.932 -1.808 4.215 1.00 0.72 H new ATOM 0 HD2 ARG A 57 8.404 -2.504 3.967 1.00 1.01 H new ATOM 0 HD3 ARG A 57 8.563 -1.177 2.835 1.00 1.01 H new ATOM 0 HE ARG A 57 8.161 0.399 4.625 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.163 -2.975 5.694 1.00 1.80 H new ATOM 0 HH12 ARG A 57 8.609 -2.569 7.354 1.00 1.80 H new ATOM 0 HH21 ARG A 57 8.815 0.898 6.740 1.00 3.00 H new ATOM 0 HH22 ARG A 57 8.976 -0.387 7.942 1.00 3.00 H new ATOM 610 N VAL A 58 3.155 -2.484 3.425 1.00 0.67 N ATOM 611 CA VAL A 58 2.179 -1.585 3.998 1.00 0.69 C ATOM 612 C VAL A 58 2.805 -0.629 5.013 1.00 0.68 C ATOM 613 O VAL A 58 3.318 -1.043 6.051 1.00 0.73 O ATOM 614 CB VAL A 58 1.031 -2.371 4.661 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.072 -1.439 5.393 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.283 -3.189 3.621 1.00 0.88 C ATOM 0 H VAL A 58 3.172 -3.413 3.847 1.00 0.67 H new ATOM 0 HA VAL A 58 1.779 -0.989 3.177 1.00 0.69 H new ATOM 0 HB VAL A 58 1.467 -3.047 5.396 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.726 -2.024 5.850 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.613 -0.896 6.168 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.357 -0.730 4.685 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.525 -3.739 4.103 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.132 -2.523 2.864 1.00 0.88 H new ATOM 0 HG23 VAL A 58 0.969 -3.892 3.149 1.00 0.88 H new ATOM 626 N LEU A 59 2.759 0.649 4.682 1.00 0.70 N ATOM 627 CA LEU A 59 3.192 1.691 5.592 1.00 0.77 C ATOM 628 C LEU A 59 2.028 2.012 6.524 1.00 0.91 C ATOM 629 O LEU A 59 1.039 2.620 6.115 1.00 1.02 O ATOM 630 CB LEU A 59 3.658 2.933 4.822 1.00 0.74 C ATOM 631 CG LEU A 59 4.821 3.704 5.455 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.409 4.325 6.777 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.026 2.794 5.648 1.00 0.99 C ATOM 0 H LEU A 59 2.423 0.991 3.782 1.00 0.70 H new ATOM 0 HA LEU A 59 4.047 1.351 6.177 1.00 0.77 H new ATOM 0 HB2 LEU A 59 3.951 2.627 3.818 1.00 0.74 H new ATOM 0 HB3 LEU A 59 2.811 3.611 4.714 1.00 0.74 H new ATOM 0 HG LEU A 59 5.099 4.509 4.775 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.254 4.866 7.204 1.00 1.13 H new ATOM 0 HD12 LEU A 59 3.582 5.015 6.613 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.095 3.540 7.466 1.00 1.13 H new ATOM 0 HD21 LEU A 59 6.841 3.360 6.099 1.00 0.99 H new ATOM 0 HD22 LEU A 59 5.755 1.965 6.302 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.346 2.404 4.682 1.00 0.99 H new ATOM 645 N ASP A 60 2.160 1.609 7.777 1.00 1.06 N ATOM 646 CA ASP A 60 1.037 1.604 8.702 1.00 1.31 C ATOM 647 C ASP A 60 1.380 2.453 9.921 1.00 1.32 C ATOM 648 O ASP A 60 1.065 2.114 11.062 1.00 2.09 O ATOM 649 CB ASP A 60 0.705 0.158 9.097 1.00 1.89 C ATOM 650 CG ASP A 60 -0.577 0.027 9.899 1.00 2.15 C ATOM 651 OD1 ASP A 60 -1.646 0.402 9.371 1.00 2.89 O ATOM 652 OD2 ASP A 60 -0.525 -0.436 11.059 1.00 2.30 O ATOM 0 H ASP A 60 3.038 1.280 8.179 1.00 1.06 H new ATOM 0 HA ASP A 60 0.156 2.035 8.227 1.00 1.31 H new ATOM 0 HB2 ASP A 60 0.622 -0.447 8.194 1.00 1.89 H new ATOM 0 HB3 ASP A 60 1.531 -0.250 9.679 1.00 1.89 H new ATOM 657 N ALA A 61 2.043 3.566 9.653 1.00 1.32 N ATOM 658 CA ALA A 61 2.476 4.485 10.690 1.00 1.55 C ATOM 659 C ALA A 61 2.764 5.844 10.074 1.00 1.25 C ATOM 660 O ALA A 61 2.939 5.951 8.862 1.00 1.76 O ATOM 661 CB ALA A 61 3.721 3.946 11.383 1.00 2.66 C ATOM 0 H ALA A 61 2.296 3.857 8.709 1.00 1.32 H new ATOM 0 HA ALA A 61 1.685 4.588 11.432 1.00 1.55 H new ATOM 0 HB1 ALA A 61 4.036 4.644 12.159 1.00 2.66 H new ATOM 0 HB2 ALA A 61 3.497 2.979 11.834 1.00 2.66 H new ATOM 0 HB3 ALA A 61 4.522 3.829 10.653 1.00 2.66 H new ATOM 667 N CYS A 62 2.801 6.877 10.895 1.00 1.19 N ATOM 668 CA CYS A 62 3.131 8.210 10.415 1.00 1.18 C ATOM 669 C CYS A 62 4.631 8.323 10.154 1.00 1.18 C ATOM 670 O CYS A 62 5.365 8.954 10.917 1.00 1.66 O ATOM 671 CB CYS A 62 2.673 9.266 11.423 1.00 1.44 C ATOM 672 SG CYS A 62 0.891 9.260 11.726 1.00 2.09 S ATOM 0 H CYS A 62 2.608 6.821 11.895 1.00 1.19 H new ATOM 0 HA CYS A 62 2.607 8.385 9.475 1.00 1.18 H new ATOM 0 HB2 CYS A 62 3.193 9.104 12.367 1.00 1.44 H new ATOM 0 HB3 CYS A 62 2.968 10.251 11.062 1.00 1.44 H new ATOM 0 HG CYS A 62 0.595 10.183 12.592 1.00 2.09 H new ATOM 678 N SER A 63 5.077 7.680 9.084 1.00 1.03 N ATOM 679 CA SER A 63 6.476 7.682 8.703 1.00 1.07 C ATOM 680 C SER A 63 6.633 8.228 7.287 1.00 1.01 C ATOM 681 O SER A 63 5.842 7.906 6.395 1.00 1.03 O ATOM 682 CB SER A 63 7.028 6.258 8.784 1.00 1.23 C ATOM 683 OG SER A 63 6.661 5.635 10.007 1.00 1.76 O ATOM 0 H SER A 63 4.477 7.143 8.458 1.00 1.03 H new ATOM 0 HA SER A 63 7.034 8.323 9.386 1.00 1.07 H new ATOM 0 HB2 SER A 63 6.652 5.671 7.946 1.00 1.23 H new ATOM 0 HB3 SER A 63 8.114 6.280 8.695 1.00 1.23 H new ATOM 0 HG SER A 63 7.025 4.725 10.033 1.00 1.76 H new ATOM 689 N SER A 64 7.657 9.047 7.083 1.00 1.04 N ATOM 690 CA SER A 64 7.908 9.662 5.787 1.00 1.05 C ATOM 691 C SER A 64 8.587 8.673 4.832 1.00 0.99 C ATOM 692 O SER A 64 8.939 9.029 3.706 1.00 1.01 O ATOM 693 CB SER A 64 8.767 10.922 5.962 1.00 1.23 C ATOM 694 OG SER A 64 8.920 11.626 4.736 1.00 1.95 O ATOM 0 H SER A 64 8.331 9.302 7.805 1.00 1.04 H new ATOM 0 HA SER A 64 6.952 9.946 5.348 1.00 1.05 H new ATOM 0 HB2 SER A 64 8.307 11.576 6.703 1.00 1.23 H new ATOM 0 HB3 SER A 64 9.748 10.644 6.347 1.00 1.23 H new ATOM 0 HG SER A 64 9.765 12.122 4.747 1.00 1.95 H new ATOM 700 N GLU A 65 8.768 7.436 5.291 1.00 0.97 N ATOM 701 CA GLU A 65 9.354 6.378 4.470 1.00 0.96 C ATOM 702 C GLU A 65 8.425 5.989 3.320 1.00 0.83 C ATOM 703 O GLU A 65 8.879 5.529 2.270 1.00 0.86 O ATOM 704 CB GLU A 65 9.652 5.149 5.331 1.00 1.04 C ATOM 705 CG GLU A 65 10.211 3.975 4.546 1.00 1.17 C ATOM 706 CD GLU A 65 10.378 2.741 5.400 1.00 1.41 C ATOM 707 OE1 GLU A 65 9.356 2.174 5.838 1.00 1.51 O ATOM 708 OE2 GLU A 65 11.533 2.320 5.614 1.00 1.70 O ATOM 0 H GLU A 65 8.515 7.140 6.234 1.00 0.97 H new ATOM 0 HA GLU A 65 10.283 6.759 4.045 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.363 5.426 6.110 1.00 1.04 H new ATOM 0 HB3 GLU A 65 8.736 4.836 5.832 1.00 1.04 H new ATOM 0 HG2 GLU A 65 9.547 3.749 3.712 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.175 4.252 4.120 1.00 1.17 H new ATOM 715 N ALA A 66 7.126 6.190 3.518 1.00 0.78 N ATOM 716 CA ALA A 66 6.127 5.818 2.520 1.00 0.71 C ATOM 717 C ALA A 66 6.378 6.535 1.197 1.00 0.66 C ATOM 718 O ALA A 66 6.938 7.629 1.176 1.00 0.90 O ATOM 719 CB ALA A 66 4.732 6.143 3.030 1.00 0.80 C ATOM 0 H ALA A 66 6.739 6.610 4.363 1.00 0.78 H new ATOM 0 HA ALA A 66 6.206 4.745 2.347 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.995 5.862 2.278 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.542 5.589 3.949 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.657 7.212 3.229 1.00 0.80 H new ATOM 725 N THR A 67 5.975 5.917 0.093 1.00 0.57 N ATOM 726 CA THR A 67 6.085 6.570 -1.203 1.00 0.51 C ATOM 727 C THR A 67 4.813 6.345 -2.024 1.00 0.41 C ATOM 728 O THR A 67 4.830 6.364 -3.251 1.00 0.55 O ATOM 729 CB THR A 67 7.316 6.017 -1.964 1.00 0.62 C ATOM 730 OG1 THR A 67 7.497 6.686 -3.220 1.00 0.67 O ATOM 731 CG2 THR A 67 7.176 4.516 -2.204 1.00 0.70 C ATOM 0 H THR A 67 5.575 4.979 0.069 1.00 0.57 H new ATOM 0 HA THR A 67 6.211 7.642 -1.049 1.00 0.51 H new ATOM 0 HB THR A 67 8.191 6.201 -1.341 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.632 6.771 -3.673 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.052 4.150 -2.740 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.094 4.001 -1.247 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.282 4.324 -2.797 1.00 0.70 H new ATOM 739 N HIS A 68 3.695 6.188 -1.326 1.00 0.50 N ATOM 740 CA HIS A 68 2.376 6.162 -1.957 1.00 0.42 C ATOM 741 C HIS A 68 1.317 6.486 -0.940 1.00 0.44 C ATOM 742 O HIS A 68 0.955 5.648 -0.119 1.00 0.61 O ATOM 743 CB HIS A 68 2.069 4.792 -2.600 1.00 0.51 C ATOM 744 CG HIS A 68 2.684 4.579 -3.956 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.791 3.786 -4.163 1.00 1.34 N ATOM 746 CD2 HIS A 68 2.331 5.051 -5.176 1.00 1.05 C ATOM 747 CE1 HIS A 68 4.093 3.780 -5.450 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.221 4.537 -6.087 1.00 0.72 N ATOM 0 H HIS A 68 3.674 6.076 -0.312 1.00 0.50 H new ATOM 0 HA HIS A 68 2.377 6.911 -2.749 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.419 4.006 -1.931 1.00 0.51 H new ATOM 0 HB3 HIS A 68 0.988 4.681 -2.685 1.00 0.51 H new ATOM 0 HD2 HIS A 68 1.503 5.710 -5.392 1.00 1.05 H new ATOM 0 HE1 HIS A 68 4.915 3.246 -5.903 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.209 4.712 -7.092 1.00 0.72 H new ATOM 757 N VAL A 69 0.864 7.721 -0.969 1.00 0.37 N ATOM 758 CA VAL A 69 -0.250 8.134 -0.153 1.00 0.36 C ATOM 759 C VAL A 69 -1.549 7.939 -0.927 1.00 0.34 C ATOM 760 O VAL A 69 -1.693 8.420 -2.044 1.00 0.43 O ATOM 761 CB VAL A 69 -0.114 9.603 0.296 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.302 10.007 1.145 1.00 0.49 C ATOM 763 CG2 VAL A 69 1.182 9.815 1.066 1.00 0.43 C ATOM 0 H VAL A 69 1.256 8.459 -1.554 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.260 7.516 0.745 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.090 10.231 -0.594 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.192 11.046 1.454 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.218 9.896 0.565 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.352 9.369 2.028 1.00 0.49 H new ATOM 0 HG21 VAL A 69 1.257 10.858 1.373 1.00 0.43 H new ATOM 0 HG22 VAL A 69 1.189 9.176 1.949 1.00 0.43 H new ATOM 0 HG23 VAL A 69 2.029 9.563 0.428 1.00 0.43 H new ATOM 773 N VAL A 70 -2.483 7.258 -0.296 1.00 0.35 N ATOM 774 CA VAL A 70 -3.743 6.873 -0.909 1.00 0.36 C ATOM 775 C VAL A 70 -4.907 7.251 0.000 1.00 0.39 C ATOM 776 O VAL A 70 -4.761 7.321 1.226 1.00 0.65 O ATOM 777 CB VAL A 70 -3.792 5.362 -1.186 1.00 0.46 C ATOM 778 CG1 VAL A 70 -2.990 5.008 -2.425 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.284 4.578 0.009 1.00 0.69 C ATOM 0 H VAL A 70 -2.389 6.950 0.672 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.824 7.405 -1.857 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.833 5.091 -1.362 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.042 3.933 -2.597 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.401 5.534 -3.287 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.950 5.303 -2.282 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -3.328 3.511 -0.210 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.253 4.863 0.220 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.905 4.796 0.878 1.00 0.69 H new ATOM 789 N MET A 71 -6.059 7.484 -0.608 1.00 0.35 N ATOM 790 CA MET A 71 -7.248 7.934 0.104 1.00 0.34 C ATOM 791 C MET A 71 -8.491 7.427 -0.594 1.00 0.30 C ATOM 792 O MET A 71 -8.429 7.044 -1.752 1.00 0.37 O ATOM 793 CB MET A 71 -7.280 9.458 0.160 1.00 0.45 C ATOM 794 CG MET A 71 -6.523 10.032 1.334 1.00 1.06 C ATOM 795 SD MET A 71 -5.746 11.611 0.962 1.00 1.38 S ATOM 796 CE MET A 71 -4.537 11.093 -0.254 1.00 1.68 C ATOM 0 H MET A 71 -6.198 7.367 -1.612 1.00 0.35 H new ATOM 0 HA MET A 71 -7.219 7.539 1.120 1.00 0.34 H new ATOM 0 HB2 MET A 71 -6.860 9.857 -0.763 1.00 0.45 H new ATOM 0 HB3 MET A 71 -8.317 9.791 0.208 1.00 0.45 H new ATOM 0 HG2 MET A 71 -7.206 10.158 2.174 1.00 1.06 H new ATOM 0 HG3 MET A 71 -5.758 9.322 1.649 1.00 1.06 H new ATOM 0 HE1 MET A 71 -3.613 11.654 -0.110 1.00 1.68 H new ATOM 0 HE2 MET A 71 -4.337 10.028 -0.137 1.00 1.68 H new ATOM 0 HE3 MET A 71 -4.924 11.282 -1.255 1.00 1.68 H new ATOM 806 N GLU A 72 -9.603 7.400 0.123 1.00 0.33 N ATOM 807 CA GLU A 72 -10.878 7.018 -0.463 1.00 0.39 C ATOM 808 C GLU A 72 -11.816 8.216 -0.511 1.00 0.41 C ATOM 809 O GLU A 72 -11.894 8.988 0.449 1.00 0.49 O ATOM 810 CB GLU A 72 -11.512 5.893 0.349 1.00 0.56 C ATOM 811 CG GLU A 72 -12.835 5.400 -0.205 1.00 1.10 C ATOM 812 CD GLU A 72 -13.411 4.266 0.608 1.00 1.59 C ATOM 813 OE1 GLU A 72 -13.096 3.094 0.315 1.00 1.94 O ATOM 814 OE2 GLU A 72 -14.185 4.540 1.543 1.00 2.28 O ATOM 0 H GLU A 72 -9.648 7.639 1.114 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.703 6.667 -1.480 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.815 5.056 0.396 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.664 6.239 1.371 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -13.547 6.225 -0.228 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -12.695 5.071 -1.235 1.00 1.10 H new ATOM 821 N GLU A 73 -12.492 8.383 -1.646 1.00 0.51 N ATOM 822 CA GLU A 73 -13.472 9.454 -1.833 1.00 0.68 C ATOM 823 C GLU A 73 -12.839 10.813 -1.575 1.00 0.66 C ATOM 824 O GLU A 73 -13.494 11.747 -1.116 1.00 0.81 O ATOM 825 CB GLU A 73 -14.682 9.248 -0.917 1.00 0.87 C ATOM 826 CG GLU A 73 -15.388 7.926 -1.143 1.00 1.08 C ATOM 827 CD GLU A 73 -16.598 7.756 -0.254 1.00 1.30 C ATOM 828 OE1 GLU A 73 -16.429 7.431 0.939 1.00 1.74 O ATOM 829 OE2 GLU A 73 -17.728 7.944 -0.746 1.00 1.54 O ATOM 0 H GLU A 73 -12.377 7.781 -2.462 1.00 0.51 H new ATOM 0 HA GLU A 73 -13.814 9.423 -2.868 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.356 9.305 0.122 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.390 10.062 -1.074 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.695 7.856 -2.186 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.690 7.109 -0.961 1.00 1.08 H new ATOM 836 N THR A 74 -11.556 10.916 -1.871 1.00 0.57 N ATOM 837 CA THR A 74 -10.814 12.131 -1.640 1.00 0.56 C ATOM 838 C THR A 74 -10.362 12.709 -2.969 1.00 0.56 C ATOM 839 O THR A 74 -9.796 12.002 -3.799 1.00 0.75 O ATOM 840 CB THR A 74 -9.606 11.847 -0.726 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.071 11.250 0.497 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.829 13.119 -0.416 1.00 0.63 C ATOM 0 H THR A 74 -11.005 10.159 -2.277 1.00 0.57 H new ATOM 0 HA THR A 74 -11.453 12.859 -1.141 1.00 0.56 H new ATOM 0 HB THR A 74 -8.933 11.165 -1.246 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.543 10.415 0.295 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.984 12.881 0.231 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.463 13.557 -1.345 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.483 13.831 0.088 1.00 0.63 H new ATOM 850 N SER A 75 -10.637 13.981 -3.184 1.00 0.55 N ATOM 851 CA SER A 75 -10.293 14.616 -4.439 1.00 0.63 C ATOM 852 C SER A 75 -8.925 15.276 -4.335 1.00 0.53 C ATOM 853 O SER A 75 -8.324 15.297 -3.257 1.00 0.52 O ATOM 854 CB SER A 75 -11.367 15.627 -4.830 1.00 0.76 C ATOM 855 OG SER A 75 -12.632 14.999 -4.933 1.00 1.31 O ATOM 0 H SER A 75 -11.096 14.592 -2.508 1.00 0.55 H new ATOM 0 HA SER A 75 -10.244 13.858 -5.221 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.411 16.424 -4.088 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.107 16.091 -5.781 1.00 0.76 H new ATOM 0 HG SER A 75 -13.308 15.663 -5.183 1.00 1.31 H new ATOM 861 N ALA A 76 -8.445 15.804 -5.457 1.00 0.52 N ATOM 862 CA ALA A 76 -7.095 16.348 -5.545 1.00 0.49 C ATOM 863 C ALA A 76 -6.790 17.335 -4.423 1.00 0.40 C ATOM 864 O ALA A 76 -5.927 17.074 -3.593 1.00 0.41 O ATOM 865 CB ALA A 76 -6.884 17.014 -6.897 1.00 0.57 C ATOM 0 H ALA A 76 -8.977 15.866 -6.325 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.405 15.511 -5.436 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -5.872 17.416 -6.951 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.025 16.280 -7.690 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.603 17.824 -7.020 1.00 0.57 H new ATOM 871 N GLU A 77 -7.535 18.429 -4.372 1.00 0.42 N ATOM 872 CA GLU A 77 -7.236 19.526 -3.445 1.00 0.44 C ATOM 873 C GLU A 77 -7.387 19.073 -1.997 1.00 0.38 C ATOM 874 O GLU A 77 -6.567 19.410 -1.142 1.00 0.39 O ATOM 875 CB GLU A 77 -8.160 20.706 -3.731 1.00 0.61 C ATOM 876 CG GLU A 77 -8.365 20.936 -5.215 1.00 1.06 C ATOM 877 CD GLU A 77 -9.182 22.168 -5.524 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.291 22.308 -4.975 1.00 1.91 O ATOM 879 OE2 GLU A 77 -8.729 22.988 -6.348 1.00 1.80 O ATOM 0 H GLU A 77 -8.353 18.587 -4.960 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.201 19.835 -3.593 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -9.126 20.530 -3.257 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -7.743 21.607 -3.281 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -7.392 21.023 -5.699 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -8.858 20.065 -5.645 1.00 1.06 H new ATOM 886 N GLU A 78 -8.464 18.341 -1.740 1.00 0.41 N ATOM 887 CA GLU A 78 -8.690 17.689 -0.442 1.00 0.43 C ATOM 888 C GLU A 78 -7.427 17.009 0.074 1.00 0.38 C ATOM 889 O GLU A 78 -7.025 17.203 1.221 1.00 0.40 O ATOM 890 CB GLU A 78 -9.802 16.644 -0.561 1.00 0.51 C ATOM 891 CG GLU A 78 -11.204 17.219 -0.590 1.00 0.59 C ATOM 892 CD GLU A 78 -11.398 18.257 -1.675 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.499 17.875 -2.855 1.00 1.95 O ATOM 894 OE2 GLU A 78 -11.458 19.458 -1.350 1.00 1.38 O ATOM 0 H GLU A 78 -9.208 18.179 -2.419 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.980 18.467 0.264 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.642 16.064 -1.470 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.724 15.952 0.277 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.919 16.410 -0.738 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.426 17.668 0.378 1.00 0.59 H new ATOM 901 N ALA A 79 -6.807 16.210 -0.775 1.00 0.34 N ATOM 902 CA ALA A 79 -5.589 15.511 -0.394 1.00 0.32 C ATOM 903 C ALA A 79 -4.359 16.411 -0.509 1.00 0.33 C ATOM 904 O ALA A 79 -3.328 16.133 0.095 1.00 0.38 O ATOM 905 CB ALA A 79 -5.413 14.247 -1.213 1.00 0.32 C ATOM 0 H ALA A 79 -7.123 16.028 -1.728 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.689 15.229 0.654 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.496 13.742 -0.910 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.263 13.585 -1.048 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.353 14.504 -2.271 1.00 0.32 H new ATOM 911 N VAL A 80 -4.455 17.478 -1.293 1.00 0.33 N ATOM 912 CA VAL A 80 -3.356 18.433 -1.416 1.00 0.39 C ATOM 913 C VAL A 80 -3.130 19.173 -0.094 1.00 0.45 C ATOM 914 O VAL A 80 -1.991 19.354 0.331 1.00 0.52 O ATOM 915 CB VAL A 80 -3.580 19.442 -2.571 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.575 20.581 -2.511 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.477 18.743 -3.918 1.00 0.44 C ATOM 0 H VAL A 80 -5.278 17.705 -1.852 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.461 17.859 -1.657 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.582 19.856 -2.455 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.758 21.272 -3.334 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.680 21.110 -1.564 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.565 20.180 -2.592 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.637 19.467 -4.717 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.487 18.300 -4.023 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.233 17.961 -3.981 1.00 0.44 H new ATOM 927 N SER A 81 -4.206 19.598 0.564 1.00 0.46 N ATOM 928 CA SER A 81 -4.084 20.185 1.896 1.00 0.55 C ATOM 929 C SER A 81 -3.584 19.127 2.883 1.00 0.53 C ATOM 930 O SER A 81 -2.769 19.409 3.759 1.00 0.59 O ATOM 931 CB SER A 81 -5.427 20.757 2.353 1.00 0.59 C ATOM 932 OG SER A 81 -6.420 19.748 2.394 1.00 1.03 O ATOM 0 H SER A 81 -5.159 19.548 0.203 1.00 0.46 H new ATOM 0 HA SER A 81 -3.363 21.002 1.860 1.00 0.55 H new ATOM 0 HB2 SER A 81 -5.318 21.206 3.340 1.00 0.59 H new ATOM 0 HB3 SER A 81 -5.738 21.551 1.674 1.00 0.59 H new ATOM 0 HG SER A 81 -6.227 19.071 1.712 1.00 1.03 H new ATOM 938 N TRP A 82 -4.115 17.920 2.741 1.00 0.46 N ATOM 939 CA TRP A 82 -3.581 16.763 3.457 1.00 0.47 C ATOM 940 C TRP A 82 -2.063 16.660 3.248 1.00 0.48 C ATOM 941 O TRP A 82 -1.314 16.426 4.194 1.00 0.52 O ATOM 942 CB TRP A 82 -4.285 15.473 3.024 1.00 0.46 C ATOM 943 CG TRP A 82 -3.451 14.249 3.230 1.00 0.42 C ATOM 944 CD1 TRP A 82 -2.942 13.453 2.253 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.004 13.695 4.476 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.211 12.439 2.805 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.231 12.563 4.167 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.178 14.044 5.819 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.634 11.776 5.144 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.585 13.260 6.792 1.00 0.46 C ATOM 951 CH2 TRP A 82 -1.819 12.139 6.447 1.00 0.43 C ATOM 0 H TRP A 82 -4.912 17.714 2.139 1.00 0.46 H new ATOM 0 HA TRP A 82 -3.773 16.901 4.521 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.215 15.369 3.583 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.553 15.549 1.970 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.093 13.601 1.194 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.728 11.707 2.285 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -3.764 14.909 6.091 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.045 10.909 4.882 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -2.714 13.516 7.833 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.365 11.549 7.229 1.00 0.43 H new ATOM 962 N GLN A 83 -1.619 16.842 2.006 1.00 0.49 N ATOM 963 CA GLN A 83 -0.190 16.878 1.689 1.00 0.55 C ATOM 964 C GLN A 83 0.526 17.960 2.496 1.00 0.60 C ATOM 965 O GLN A 83 1.640 17.752 2.978 1.00 0.61 O ATOM 966 CB GLN A 83 0.004 17.130 0.197 1.00 0.64 C ATOM 967 CG GLN A 83 1.425 17.503 -0.190 1.00 0.84 C ATOM 968 CD GLN A 83 1.554 17.821 -1.663 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.603 17.607 -2.266 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.488 18.331 -2.250 1.00 0.98 N ATOM 0 H GLN A 83 -2.230 16.967 1.199 1.00 0.49 H new ATOM 0 HA GLN A 83 0.242 15.913 1.954 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.288 16.235 -0.353 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.668 17.929 -0.116 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.744 18.366 0.395 1.00 0.84 H new ATOM 0 HG3 GLN A 83 2.095 16.681 0.062 1.00 0.84 H new ATOM 0 HE21 GLN A 83 -0.363 18.492 -1.711 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.515 18.564 -3.243 1.00 0.98 H new ATOM 979 N GLU A 84 -0.127 19.103 2.636 1.00 0.68 N ATOM 980 CA GLU A 84 0.401 20.199 3.438 1.00 0.78 C ATOM 981 C GLU A 84 0.536 19.771 4.900 1.00 0.82 C ATOM 982 O GLU A 84 1.549 20.043 5.536 1.00 0.95 O ATOM 983 CB GLU A 84 -0.497 21.429 3.317 1.00 0.86 C ATOM 984 CG GLU A 84 -0.337 22.171 2.000 1.00 0.94 C ATOM 985 CD GLU A 84 0.999 22.881 1.893 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.146 23.986 2.450 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.917 22.328 1.251 1.00 1.61 O ATOM 0 H GLU A 84 -1.029 19.298 2.202 1.00 0.68 H new ATOM 0 HA GLU A 84 1.391 20.460 3.063 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.537 21.122 3.427 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.277 22.111 4.138 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.437 21.466 1.175 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.141 22.899 1.897 1.00 0.94 H new ATOM 994 N ARG A 85 -0.484 19.092 5.416 1.00 0.77 N ATOM 995 CA ARG A 85 -0.430 18.535 6.765 1.00 0.87 C ATOM 996 C ARG A 85 0.674 17.490 6.877 1.00 0.80 C ATOM 997 O ARG A 85 1.388 17.427 7.879 1.00 0.93 O ATOM 998 CB ARG A 85 -1.773 17.907 7.149 1.00 0.96 C ATOM 999 CG ARG A 85 -2.863 18.912 7.457 1.00 1.23 C ATOM 1000 CD ARG A 85 -2.594 19.593 8.784 1.00 1.45 C ATOM 1001 NE ARG A 85 -2.660 18.656 9.907 1.00 2.09 N ATOM 1002 CZ ARG A 85 -2.482 19.007 11.181 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -2.322 20.283 11.507 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -2.490 18.084 12.132 1.00 3.26 N ATOM 0 H ARG A 85 -1.358 18.914 4.921 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.213 19.353 7.452 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.107 17.264 6.335 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.627 17.268 8.020 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -2.915 19.657 6.663 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -3.830 18.411 7.488 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -1.609 20.059 8.759 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.321 20.391 8.935 1.00 1.45 H new ATOM 0 HE ARG A 85 -2.854 17.676 9.703 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -2.335 21.000 10.782 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -2.186 20.547 12.483 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -2.632 17.103 11.890 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -2.354 18.354 13.106 1.00 3.26 H new ATOM 1018 N ARG A 86 0.784 16.659 5.850 1.00 0.71 N ATOM 1019 CA ARG A 86 1.856 15.679 5.748 1.00 0.80 C ATOM 1020 C ARG A 86 3.212 16.365 5.901 1.00 0.75 C ATOM 1021 O ARG A 86 4.023 15.985 6.745 1.00 0.78 O ATOM 1022 CB ARG A 86 1.754 14.967 4.390 1.00 0.96 C ATOM 1023 CG ARG A 86 2.810 13.906 4.141 1.00 1.18 C ATOM 1024 CD ARG A 86 2.645 13.272 2.761 1.00 1.04 C ATOM 1025 NE ARG A 86 2.854 14.234 1.667 1.00 1.92 N ATOM 1026 CZ ARG A 86 2.779 13.919 0.364 1.00 2.68 C ATOM 1027 NH1 ARG A 86 2.430 12.694 -0.008 1.00 2.91 N ATOM 1028 NH2 ARG A 86 3.033 14.835 -0.565 1.00 3.72 N ATOM 0 H ARG A 86 0.133 16.645 5.065 1.00 0.71 H new ATOM 0 HA ARG A 86 1.761 14.942 6.546 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.770 14.504 4.312 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.818 15.714 3.599 1.00 0.96 H new ATOM 0 HG2 ARG A 86 3.802 14.351 4.223 1.00 1.18 H new ATOM 0 HG3 ARG A 86 2.742 13.135 4.908 1.00 1.18 H new ATOM 0 HD2 ARG A 86 3.352 12.449 2.656 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.645 12.845 2.679 1.00 1.04 H new ATOM 0 HE ARG A 86 3.069 15.200 1.914 1.00 1.92 H new ATOM 0 HH11 ARG A 86 2.218 11.988 0.697 1.00 2.91 H new ATOM 0 HH12 ARG A 86 2.374 12.458 -0.999 1.00 2.91 H new ATOM 0 HH21 ARG A 86 3.287 15.784 -0.290 1.00 3.72 H new ATOM 0 HH22 ARG A 86 2.974 14.589 -1.553 1.00 3.72 H new ATOM 1042 N MET A 87 3.435 17.376 5.074 1.00 0.77 N ATOM 1043 CA MET A 87 4.662 18.168 5.132 1.00 0.89 C ATOM 1044 C MET A 87 4.822 18.854 6.487 1.00 0.93 C ATOM 1045 O MET A 87 5.905 18.851 7.054 1.00 1.01 O ATOM 1046 CB MET A 87 4.689 19.218 4.016 1.00 1.11 C ATOM 1047 CG MET A 87 4.807 18.649 2.606 1.00 1.21 C ATOM 1048 SD MET A 87 6.496 18.190 2.140 1.00 1.69 S ATOM 1049 CE MET A 87 6.701 16.590 2.928 1.00 1.11 C ATOM 0 H MET A 87 2.780 17.671 4.350 1.00 0.77 H new ATOM 0 HA MET A 87 5.495 17.479 4.993 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.780 19.816 4.077 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.527 19.893 4.192 1.00 1.11 H new ATOM 0 HG2 MET A 87 4.166 17.771 2.524 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.431 19.385 1.895 1.00 1.21 H new ATOM 0 HE1 MET A 87 7.197 15.906 2.239 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.307 16.702 3.827 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.724 16.189 3.197 1.00 1.11 H new ATOM 1059 N ALA A 88 3.746 19.444 6.990 1.00 0.97 N ATOM 1060 CA ALA A 88 3.767 20.126 8.283 1.00 1.13 C ATOM 1061 C ALA A 88 4.207 19.205 9.426 1.00 1.14 C ATOM 1062 O ALA A 88 4.752 19.670 10.430 1.00 1.29 O ATOM 1063 CB ALA A 88 2.395 20.709 8.586 1.00 1.32 C ATOM 0 H ALA A 88 2.841 19.465 6.521 1.00 0.97 H new ATOM 0 HA ALA A 88 4.503 20.927 8.212 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.420 21.215 9.551 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.123 21.423 7.809 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.657 19.907 8.616 1.00 1.32 H new ATOM 1069 N ALA A 89 3.968 17.908 9.274 1.00 1.05 N ATOM 1070 CA ALA A 89 4.310 16.946 10.314 1.00 1.18 C ATOM 1071 C ALA A 89 5.774 16.531 10.204 1.00 1.20 C ATOM 1072 O ALA A 89 6.416 16.191 11.197 1.00 1.45 O ATOM 1073 CB ALA A 89 3.400 15.728 10.231 1.00 1.25 C ATOM 0 H ALA A 89 3.540 17.499 8.443 1.00 1.05 H new ATOM 0 HA ALA A 89 4.163 17.421 11.284 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.668 15.019 11.014 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.363 16.039 10.362 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.516 15.253 9.257 1.00 1.25 H new ATOM 1079 N ALA A 90 6.294 16.578 8.993 1.00 1.01 N ATOM 1080 CA ALA A 90 7.672 16.212 8.729 1.00 1.10 C ATOM 1081 C ALA A 90 8.534 17.466 8.608 1.00 1.12 C ATOM 1082 O ALA A 90 8.016 18.580 8.633 1.00 1.00 O ATOM 1083 CB ALA A 90 7.741 15.386 7.450 1.00 1.05 C ATOM 0 H ALA A 90 5.774 16.870 8.166 1.00 1.01 H new ATOM 0 HA ALA A 90 8.054 15.614 9.556 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.776 15.110 7.250 1.00 1.05 H new ATOM 0 HB2 ALA A 90 7.141 14.483 7.567 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.355 15.973 6.617 1.00 1.05 H new ATOM 1089 N PRO A 91 9.862 17.322 8.536 1.00 1.40 N ATOM 1090 CA PRO A 91 10.726 18.427 8.144 1.00 1.57 C ATOM 1091 C PRO A 91 10.480 18.778 6.681 1.00 1.45 C ATOM 1092 O PRO A 91 10.602 17.919 5.811 1.00 1.42 O ATOM 1093 CB PRO A 91 12.149 17.885 8.344 1.00 1.91 C ATOM 1094 CG PRO A 91 11.991 16.654 9.172 1.00 1.96 C ATOM 1095 CD PRO A 91 10.629 16.110 8.854 1.00 1.67 C ATOM 0 HA PRO A 91 10.549 19.335 8.721 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.621 17.658 7.388 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.782 18.617 8.846 1.00 1.91 H new ATOM 0 HG2 PRO A 91 12.766 15.925 8.938 1.00 1.96 H new ATOM 0 HG3 PRO A 91 12.080 16.884 10.234 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.656 15.416 8.014 1.00 1.67 H new ATOM 0 HD3 PRO A 91 10.201 15.570 9.699 1.00 1.67 H new ATOM 1103 N PRO A 92 10.106 20.034 6.394 1.00 1.56 N ATOM 1104 CA PRO A 92 9.762 20.479 5.032 1.00 1.67 C ATOM 1105 C PRO A 92 10.908 20.301 4.032 1.00 1.87 C ATOM 1106 O PRO A 92 10.707 20.411 2.821 1.00 2.74 O ATOM 1107 CB PRO A 92 9.433 21.965 5.211 1.00 1.98 C ATOM 1108 CG PRO A 92 9.087 22.105 6.652 1.00 2.05 C ATOM 1109 CD PRO A 92 9.960 21.121 7.375 1.00 1.77 C ATOM 0 HA PRO A 92 8.943 19.890 4.618 1.00 1.67 H new ATOM 0 HB2 PRO A 92 10.283 22.593 4.945 1.00 1.98 H new ATOM 0 HB3 PRO A 92 8.602 22.266 4.573 1.00 1.98 H new ATOM 0 HG2 PRO A 92 9.269 23.121 7.002 1.00 2.05 H new ATOM 0 HG3 PRO A 92 8.032 21.893 6.824 1.00 2.05 H new ATOM 0 HD2 PRO A 92 10.923 21.555 7.644 1.00 1.77 H new ATOM 0 HD3 PRO A 92 9.498 20.773 8.299 1.00 1.77 H new ATOM 1117 N GLY A 93 12.105 20.033 4.541 1.00 1.48 N ATOM 1118 CA GLY A 93 13.238 19.762 3.675 1.00 1.64 C ATOM 1119 C GLY A 93 13.289 18.312 3.234 1.00 1.50 C ATOM 1120 O GLY A 93 14.204 17.906 2.518 1.00 1.68 O ATOM 0 H GLY A 93 12.312 19.998 5.539 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.184 20.405 2.797 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.161 20.014 4.198 1.00 1.64 H new ATOM 1124 N CYS A 94 12.311 17.531 3.671 1.00 1.28 N ATOM 1125 CA CYS A 94 12.195 16.142 3.271 1.00 1.27 C ATOM 1126 C CYS A 94 11.334 16.037 2.019 1.00 1.14 C ATOM 1127 O CYS A 94 10.388 16.809 1.835 1.00 1.17 O ATOM 1128 CB CYS A 94 11.578 15.308 4.402 1.00 1.33 C ATOM 1129 SG CYS A 94 11.466 13.536 4.048 1.00 2.34 S ATOM 0 H CYS A 94 11.580 17.844 4.310 1.00 1.28 H new ATOM 0 HA CYS A 94 13.191 15.754 3.057 1.00 1.27 H new ATOM 0 HB2 CYS A 94 12.171 15.449 5.306 1.00 1.33 H new ATOM 0 HB3 CYS A 94 10.578 15.688 4.614 1.00 1.33 H new ATOM 0 HG CYS A 94 10.748 13.351 2.980 1.00 2.34 H new ATOM 1135 N THR A 95 11.683 15.100 1.153 1.00 1.27 N ATOM 1136 CA THR A 95 10.933 14.861 -0.066 1.00 1.33 C ATOM 1137 C THR A 95 9.566 14.266 0.234 1.00 0.96 C ATOM 1138 O THR A 95 9.458 13.282 0.968 1.00 0.86 O ATOM 1139 CB THR A 95 11.684 13.902 -0.997 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.260 12.840 -0.221 1.00 1.72 O ATOM 1141 CG2 THR A 95 12.767 14.624 -1.780 1.00 2.23 C ATOM 0 H THR A 95 12.490 14.488 1.275 1.00 1.27 H new ATOM 0 HA THR A 95 10.811 15.828 -0.554 1.00 1.33 H new ATOM 0 HB THR A 95 10.975 13.491 -1.715 1.00 1.73 H new ATOM 0 HG1 THR A 95 11.615 12.540 0.453 1.00 1.72 H new ATOM 0 HG21 THR A 95 13.280 13.915 -2.430 1.00 2.23 H new ATOM 0 HG22 THR A 95 12.316 15.410 -2.385 1.00 2.23 H new ATOM 0 HG23 THR A 95 13.484 15.065 -1.087 1.00 2.23 H new ATOM 1149 N PRO A 96 8.511 14.849 -0.342 1.00 0.93 N ATOM 1150 CA PRO A 96 7.152 14.346 -0.195 1.00 0.76 C ATOM 1151 C PRO A 96 6.903 13.124 -1.074 1.00 0.61 C ATOM 1152 O PRO A 96 7.255 13.120 -2.257 1.00 0.71 O ATOM 1153 CB PRO A 96 6.269 15.519 -0.659 1.00 1.07 C ATOM 1154 CG PRO A 96 7.198 16.652 -0.965 1.00 1.30 C ATOM 1155 CD PRO A 96 8.552 16.047 -1.183 1.00 1.27 C ATOM 0 HA PRO A 96 6.947 14.026 0.827 1.00 0.76 H new ATOM 0 HB2 PRO A 96 5.689 15.244 -1.540 1.00 1.07 H new ATOM 0 HB3 PRO A 96 5.557 15.800 0.117 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.869 17.195 -1.851 1.00 1.30 H new ATOM 0 HG3 PRO A 96 7.221 17.367 -0.143 1.00 1.30 H new ATOM 0 HD2 PRO A 96 8.721 15.800 -2.231 1.00 1.27 H new ATOM 0 HD3 PRO A 96 9.351 16.725 -0.883 1.00 1.27 H new ATOM 1163 N PRO A 97 6.318 12.055 -0.507 1.00 0.50 N ATOM 1164 CA PRO A 97 5.919 10.879 -1.281 1.00 0.46 C ATOM 1165 C PRO A 97 4.763 11.203 -2.211 1.00 0.45 C ATOM 1166 O PRO A 97 4.202 12.298 -2.158 1.00 0.68 O ATOM 1167 CB PRO A 97 5.477 9.884 -0.212 1.00 0.59 C ATOM 1168 CG PRO A 97 5.045 10.739 0.916 1.00 0.69 C ATOM 1169 CD PRO A 97 6.003 11.898 0.921 1.00 0.64 C ATOM 0 HA PRO A 97 6.721 10.503 -1.917 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.664 9.251 -0.567 1.00 0.59 H new ATOM 0 HB3 PRO A 97 6.293 9.222 0.079 1.00 0.59 H new ATOM 0 HG2 PRO A 97 4.018 11.078 0.782 1.00 0.69 H new ATOM 0 HG3 PRO A 97 5.081 10.194 1.859 1.00 0.69 H new ATOM 0 HD2 PRO A 97 5.550 12.797 1.338 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.894 11.686 1.512 1.00 0.64 H new ATOM 1177 N ALA A 98 4.382 10.248 -3.035 1.00 0.44 N ATOM 1178 CA ALA A 98 3.374 10.484 -4.051 1.00 0.44 C ATOM 1179 C ALA A 98 2.009 10.737 -3.435 1.00 0.38 C ATOM 1180 O ALA A 98 1.561 9.991 -2.559 1.00 0.39 O ATOM 1181 CB ALA A 98 3.305 9.301 -5.002 1.00 0.54 C ATOM 0 H ALA A 98 4.756 9.299 -3.022 1.00 0.44 H new ATOM 0 HA ALA A 98 3.662 11.378 -4.605 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.545 9.488 -5.761 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.273 9.164 -5.484 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.047 8.401 -4.445 1.00 0.54 H new ATOM 1187 N LEU A 99 1.368 11.803 -3.879 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.007 12.080 -3.511 1.00 0.44 C ATOM 1189 C LEU A 99 -0.907 11.483 -4.577 1.00 0.44 C ATOM 1190 O LEU A 99 -0.715 11.742 -5.761 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.241 13.590 -3.399 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.514 14.013 -2.658 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.441 13.596 -1.198 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.715 15.514 -2.778 1.00 0.46 C ATOM 0 H LEU A 99 1.783 12.497 -4.501 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.230 11.639 -2.539 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.616 14.035 -2.894 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.272 14.010 -4.404 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.368 13.512 -3.113 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.353 13.904 -0.686 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.337 12.513 -1.134 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.581 14.072 -0.726 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.622 15.803 -2.248 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.860 16.032 -2.343 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.807 15.786 -3.830 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.858 10.671 -4.155 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.741 9.966 -5.071 1.00 0.39 C ATOM 1208 C LEU A 100 -3.891 9.329 -4.301 1.00 0.44 C ATOM 1209 O LEU A 100 -4.053 9.578 -3.106 1.00 0.66 O ATOM 1210 CB LEU A 100 -1.966 8.931 -5.911 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.739 8.281 -5.261 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.096 6.973 -4.585 1.00 0.79 C ATOM 1213 CD2 LEU A 100 0.343 8.059 -6.301 1.00 0.98 C ATOM 0 H LEU A 100 -2.042 10.480 -3.170 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.163 10.685 -5.773 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.659 8.138 -6.194 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.643 9.416 -6.832 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.365 8.959 -4.493 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.202 6.540 -4.135 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.841 7.155 -3.810 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.502 6.281 -5.323 1.00 0.79 H new ATOM 0 HD21 LEU A 100 1.211 7.597 -5.830 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.036 7.404 -7.086 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.632 9.016 -6.735 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.688 8.516 -4.975 1.00 0.41 N ATOM 1226 CA ASP A 101 -5.912 7.990 -4.390 1.00 0.44 C ATOM 1227 C ASP A 101 -5.842 6.465 -4.331 1.00 0.40 C ATOM 1228 O ASP A 101 -5.006 5.856 -5.006 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.111 8.449 -5.240 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.456 7.959 -4.739 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -8.858 6.833 -5.095 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -9.108 8.690 -3.969 1.00 1.92 O ATOM 0 H ASP A 101 -4.509 8.205 -5.930 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.032 8.366 -3.374 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.123 9.538 -5.271 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -6.970 8.102 -6.264 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.712 5.855 -3.522 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.831 4.393 -3.436 1.00 0.42 C ATOM 1239 C ILE A 102 -7.055 3.774 -4.822 1.00 0.46 C ATOM 1240 O ILE A 102 -6.888 2.570 -5.023 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.994 3.991 -2.495 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -8.001 2.485 -2.248 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.329 4.429 -3.063 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.765 2.003 -1.540 1.00 0.44 C ATOM 0 H ILE A 102 -7.354 6.357 -2.908 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.894 4.012 -3.029 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.838 4.499 -1.544 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.878 2.223 -1.656 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -8.093 1.966 -3.202 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -10.128 4.134 -2.383 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.336 5.512 -3.183 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.485 3.956 -4.032 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.827 0.925 -1.392 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.887 2.237 -2.142 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.684 2.498 -0.572 1.00 0.44 H new ATOM 1256 N SER A 103 -7.403 4.628 -5.770 1.00 0.42 N ATOM 1257 CA SER A 103 -7.656 4.222 -7.145 1.00 0.51 C ATOM 1258 C SER A 103 -6.404 3.608 -7.784 1.00 0.48 C ATOM 1259 O SER A 103 -6.498 2.794 -8.704 1.00 0.58 O ATOM 1260 CB SER A 103 -8.141 5.429 -7.953 1.00 0.66 C ATOM 1261 OG SER A 103 -8.545 5.050 -9.255 1.00 1.46 O ATOM 0 H SER A 103 -7.519 5.628 -5.608 1.00 0.42 H new ATOM 0 HA SER A 103 -8.430 3.455 -7.145 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.975 5.904 -7.436 1.00 0.66 H new ATOM 0 HB3 SER A 103 -7.343 6.169 -8.019 1.00 0.66 H new ATOM 0 HG SER A 103 -8.851 5.841 -9.746 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.232 4.000 -7.294 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.977 3.416 -7.757 1.00 0.36 C ATOM 1269 C TRP A 104 -3.797 2.017 -7.183 1.00 0.34 C ATOM 1270 O TRP A 104 -3.261 1.123 -7.844 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.782 4.306 -7.358 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.461 3.579 -7.347 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.613 3.379 -8.401 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.844 2.942 -6.215 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.483 2.650 -7.994 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.363 2.373 -6.661 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.198 2.800 -4.873 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.214 1.669 -5.812 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.352 2.101 -4.031 1.00 0.31 C ATOM 1280 CH2 TRP A 104 0.842 1.545 -4.503 1.00 0.32 C ATOM 0 H TRP A 104 -5.125 4.718 -6.578 1.00 0.38 H new ATOM 0 HA TRP A 104 -4.015 3.349 -8.844 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.719 5.146 -8.050 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.966 4.723 -6.368 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.778 3.740 -9.405 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.259 2.363 -8.591 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -2.116 3.228 -4.498 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.135 1.237 -6.175 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.618 1.982 -2.991 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.482 1.007 -3.819 1.00 0.32 H new ATOM 1291 N LEU A 105 -4.295 1.823 -5.974 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.967 0.637 -5.201 1.00 0.32 C ATOM 1293 C LEU A 105 -4.818 -0.550 -5.608 1.00 0.31 C ATOM 1294 O LEU A 105 -4.349 -1.680 -5.613 1.00 0.34 O ATOM 1295 CB LEU A 105 -4.116 0.907 -3.707 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.640 -0.230 -2.802 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -2.232 -0.658 -3.179 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.686 0.201 -1.350 1.00 0.35 C ATOM 0 H LEU A 105 -4.928 2.471 -5.506 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.927 0.390 -5.412 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.558 1.810 -3.457 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -5.165 1.110 -3.491 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.307 -1.081 -2.937 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.910 -1.468 -2.524 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -2.221 -1.001 -4.213 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.553 0.188 -3.070 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.345 -0.618 -0.716 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -3.038 1.066 -1.206 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.709 0.466 -1.081 1.00 0.35 H new ATOM 1310 N THR A 106 -6.059 -0.302 -5.973 1.00 0.35 N ATOM 1311 CA THR A 106 -6.962 -1.382 -6.325 1.00 0.37 C ATOM 1312 C THR A 106 -6.466 -2.161 -7.551 1.00 0.36 C ATOM 1313 O THR A 106 -6.307 -3.382 -7.496 1.00 0.47 O ATOM 1314 CB THR A 106 -8.378 -0.833 -6.554 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.319 0.322 -7.407 1.00 0.50 O ATOM 1316 CG2 THR A 106 -9.015 -0.461 -5.220 1.00 0.59 C ATOM 0 H THR A 106 -6.465 0.632 -6.034 1.00 0.35 H new ATOM 0 HA THR A 106 -6.990 -2.084 -5.492 1.00 0.37 H new ATOM 0 HB THR A 106 -8.985 -1.601 -7.033 1.00 0.47 H new ATOM 0 HG1 THR A 106 -9.224 0.668 -7.552 1.00 0.50 H new ATOM 0 HG21 THR A 106 -10.019 -0.073 -5.392 1.00 0.59 H new ATOM 0 HG22 THR A 106 -9.072 -1.345 -4.585 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.410 0.301 -4.728 1.00 0.59 H new ATOM 1324 N GLU A 107 -6.241 -1.461 -8.660 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.663 -2.074 -9.859 1.00 0.39 C ATOM 1326 C GLU A 107 -4.306 -2.731 -9.575 1.00 0.33 C ATOM 1327 O GLU A 107 -4.087 -3.890 -9.929 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.515 -1.033 -10.971 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.840 -0.478 -11.467 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.680 0.457 -12.650 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.241 -0.003 -13.725 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.974 1.662 -12.506 1.00 1.51 O ATOM 0 H GLU A 107 -6.450 -0.467 -8.756 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.349 -2.857 -10.182 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.900 -0.210 -10.607 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.983 -1.483 -11.809 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.492 -1.305 -11.749 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.333 0.054 -10.653 1.00 0.53 H new ATOM 1339 N SER A 108 -3.391 -1.967 -8.984 1.00 0.35 N ATOM 1340 CA SER A 108 -2.072 -2.499 -8.622 1.00 0.36 C ATOM 1341 C SER A 108 -2.198 -3.802 -7.822 1.00 0.38 C ATOM 1342 O SER A 108 -1.440 -4.747 -8.047 1.00 0.46 O ATOM 1343 CB SER A 108 -1.233 -1.466 -7.862 1.00 0.45 C ATOM 1344 OG SER A 108 -1.937 -0.931 -6.766 1.00 0.88 O ATOM 0 H SER A 108 -3.533 -0.985 -8.746 1.00 0.35 H new ATOM 0 HA SER A 108 -1.549 -2.725 -9.551 1.00 0.36 H new ATOM 0 HB2 SER A 108 -0.312 -1.932 -7.511 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.946 -0.661 -8.539 1.00 0.45 H new ATOM 0 HG SER A 108 -2.306 -0.057 -7.010 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.162 -3.856 -6.900 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.464 -5.088 -6.175 1.00 0.43 C ATOM 1352 C LEU A 109 -3.858 -6.213 -7.121 1.00 0.52 C ATOM 1353 O LEU A 109 -3.392 -7.344 -6.976 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.582 -4.875 -5.159 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.210 -4.007 -3.962 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.187 -4.238 -2.831 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.794 -4.299 -3.513 1.00 0.86 C ATOM 0 H LEU A 109 -3.745 -3.061 -6.639 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.552 -5.371 -5.650 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.432 -4.421 -5.667 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.911 -5.848 -4.794 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.262 -2.960 -4.259 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.913 -3.614 -1.980 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.193 -3.980 -3.161 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.160 -5.287 -2.535 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.546 -3.670 -2.658 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.712 -5.348 -3.228 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.103 -4.090 -4.329 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.719 -5.899 -8.080 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.167 -6.888 -9.043 1.00 0.62 C ATOM 1371 C GLY A 110 -4.018 -7.484 -9.833 1.00 0.67 C ATOM 1372 O GLY A 110 -3.892 -8.706 -9.933 1.00 0.96 O ATOM 0 H GLY A 110 -5.118 -4.969 -8.209 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -5.698 -7.684 -8.522 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -5.877 -6.427 -9.730 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.184 -6.620 -10.395 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.000 -7.061 -11.124 1.00 0.53 C ATOM 1378 C ALA A 111 -1.019 -7.777 -10.199 1.00 0.59 C ATOM 1379 O ALA A 111 -0.333 -8.716 -10.601 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.324 -5.876 -11.798 1.00 0.48 C ATOM 0 H ALA A 111 -3.305 -5.608 -10.361 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.318 -7.768 -11.890 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -0.442 -6.219 -12.338 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.019 -5.410 -12.496 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.026 -5.149 -11.042 1.00 0.48 H new ATOM 1386 N GLY A 112 -0.970 -7.333 -8.950 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.093 -7.948 -7.977 1.00 0.60 C ATOM 1388 C GLY A 112 1.275 -7.304 -7.965 1.00 0.58 C ATOM 1389 O GLY A 112 2.203 -7.814 -7.342 1.00 0.66 O ATOM 0 H GLY A 112 -1.525 -6.555 -8.594 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.539 -7.871 -6.986 1.00 0.60 H new ATOM 0 HA3 GLY A 112 0.008 -9.010 -8.199 1.00 0.60 H new ATOM 1393 N GLN A 113 1.395 -6.181 -8.654 1.00 0.52 N ATOM 1394 CA GLN A 113 2.661 -5.477 -8.772 1.00 0.54 C ATOM 1395 C GLN A 113 2.423 -3.979 -8.907 1.00 0.50 C ATOM 1396 O GLN A 113 1.364 -3.556 -9.375 1.00 0.48 O ATOM 1397 CB GLN A 113 3.460 -6.001 -9.971 1.00 0.60 C ATOM 1398 CG GLN A 113 2.641 -6.184 -11.240 1.00 0.61 C ATOM 1399 CD GLN A 113 3.502 -6.593 -12.419 1.00 0.81 C ATOM 1400 OE1 GLN A 113 3.773 -7.778 -12.619 1.00 1.45 O ATOM 1401 NE2 GLN A 113 3.918 -5.625 -13.220 1.00 0.87 N ATOM 0 H GLN A 113 0.621 -5.733 -9.145 1.00 0.52 H new ATOM 0 HA GLN A 113 3.241 -5.658 -7.867 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.278 -5.310 -10.177 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.910 -6.957 -9.703 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.875 -6.941 -11.071 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.124 -5.254 -11.475 1.00 0.61 H new ATOM 0 HE21 GLN A 113 3.672 -4.656 -13.019 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.485 -5.848 -14.038 1.00 0.87 H new ATOM 1410 N PRO A 114 3.396 -3.162 -8.466 1.00 0.53 N ATOM 1411 CA PRO A 114 3.292 -1.701 -8.521 1.00 0.52 C ATOM 1412 C PRO A 114 3.232 -1.171 -9.944 1.00 0.54 C ATOM 1413 O PRO A 114 4.260 -0.899 -10.566 1.00 0.62 O ATOM 1414 CB PRO A 114 4.559 -1.208 -7.817 1.00 0.57 C ATOM 1415 CG PRO A 114 5.510 -2.353 -7.877 1.00 0.68 C ATOM 1416 CD PRO A 114 4.668 -3.598 -7.861 1.00 0.60 C ATOM 0 HA PRO A 114 2.372 -1.352 -8.051 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.969 -0.329 -8.314 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.351 -0.923 -6.786 1.00 0.57 H new ATOM 0 HG2 PRO A 114 6.119 -2.306 -8.780 1.00 0.68 H new ATOM 0 HG3 PRO A 114 6.195 -2.335 -7.029 1.00 0.68 H new ATOM 0 HD2 PRO A 114 5.130 -4.402 -8.434 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.523 -3.971 -6.847 1.00 0.60 H new ATOM 1424 N VAL A 115 2.019 -1.041 -10.452 1.00 0.51 N ATOM 1425 CA VAL A 115 1.795 -0.463 -11.763 1.00 0.53 C ATOM 1426 C VAL A 115 2.204 1.005 -11.764 1.00 0.49 C ATOM 1427 O VAL A 115 2.159 1.676 -10.721 1.00 0.45 O ATOM 1428 CB VAL A 115 0.313 -0.590 -12.190 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.089 -2.052 -12.298 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.603 0.144 -11.219 1.00 0.47 C ATOM 0 H VAL A 115 1.168 -1.331 -9.971 1.00 0.51 H new ATOM 0 HA VAL A 115 2.405 -1.014 -12.479 1.00 0.53 H new ATOM 0 HB VAL A 115 0.206 -0.127 -13.171 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.134 -2.121 -12.599 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.536 -2.547 -13.041 1.00 0.65 H new ATOM 0 HG13 VAL A 115 0.043 -2.538 -11.331 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.638 0.038 -11.544 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.491 -0.280 -10.221 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.337 1.201 -11.196 1.00 0.47 H new ATOM 1440 N PRO A 116 2.618 1.523 -12.930 1.00 0.56 N ATOM 1441 CA PRO A 116 3.033 2.914 -13.063 1.00 0.58 C ATOM 1442 C PRO A 116 1.887 3.851 -12.732 1.00 0.48 C ATOM 1443 O PRO A 116 0.760 3.660 -13.198 1.00 0.55 O ATOM 1444 CB PRO A 116 3.437 3.048 -14.534 1.00 0.72 C ATOM 1445 CG PRO A 116 2.790 1.896 -15.224 1.00 0.85 C ATOM 1446 CD PRO A 116 2.691 0.798 -14.204 1.00 0.69 C ATOM 0 HA PRO A 116 3.844 3.174 -12.383 1.00 0.58 H new ATOM 0 HB2 PRO A 116 3.099 3.997 -14.950 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.520 3.018 -14.649 1.00 0.72 H new ATOM 0 HG2 PRO A 116 1.803 2.170 -15.598 1.00 0.85 H new ATOM 0 HG3 PRO A 116 3.379 1.577 -16.084 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.809 0.178 -14.365 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.556 0.136 -14.241 1.00 0.69 H new ATOM 1454 N VAL A 117 2.159 4.843 -11.904 1.00 0.46 N ATOM 1455 CA VAL A 117 1.117 5.757 -11.481 1.00 0.44 C ATOM 1456 C VAL A 117 0.737 6.717 -12.612 1.00 0.49 C ATOM 1457 O VAL A 117 1.239 7.841 -12.713 1.00 0.61 O ATOM 1458 CB VAL A 117 1.509 6.520 -10.188 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.837 7.252 -10.344 1.00 0.99 C ATOM 1460 CG2 VAL A 117 0.403 7.481 -9.772 1.00 1.25 C ATOM 0 H VAL A 117 3.082 5.034 -11.515 1.00 0.46 H new ATOM 0 HA VAL A 117 0.235 5.163 -11.241 1.00 0.44 H new ATOM 0 HB VAL A 117 1.637 5.781 -9.397 1.00 0.58 H new ATOM 0 HG11 VAL A 117 3.076 7.774 -9.417 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.625 6.533 -10.569 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.761 7.974 -11.157 1.00 0.99 H new ATOM 0 HG21 VAL A 117 0.699 8.005 -8.863 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.231 8.205 -10.569 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -0.514 6.922 -9.586 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.143 6.239 -13.481 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.658 7.035 -14.585 1.00 0.70 C ATOM 1472 C GLU A 118 -1.403 8.265 -14.069 1.00 0.71 C ATOM 1473 O GLU A 118 -1.794 8.312 -12.900 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.576 6.184 -15.464 1.00 0.84 C ATOM 1475 CG GLU A 118 -2.705 5.541 -14.690 1.00 1.34 C ATOM 1476 CD GLU A 118 -3.598 4.669 -15.551 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -4.446 5.222 -16.284 1.00 2.31 O ATOM 1478 OE2 GLU A 118 -3.445 3.436 -15.503 1.00 2.63 O ATOM 0 H GLU A 118 -0.519 5.292 -13.440 1.00 0.57 H new ATOM 0 HA GLU A 118 0.185 7.378 -15.185 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.994 6.808 -16.254 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -0.986 5.406 -15.950 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -2.287 4.938 -13.884 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -3.308 6.321 -14.225 1.00 1.34 H new ATOM 1485 N CYS A 119 -1.593 9.243 -14.944 1.00 0.84 N ATOM 1486 CA CYS A 119 -2.173 10.533 -14.578 1.00 0.88 C ATOM 1487 C CYS A 119 -3.440 10.391 -13.731 1.00 0.79 C ATOM 1488 O CYS A 119 -3.562 11.030 -12.684 1.00 0.76 O ATOM 1489 CB CYS A 119 -2.465 11.341 -15.844 1.00 1.11 C ATOM 1490 SG CYS A 119 -3.341 10.410 -17.123 1.00 2.07 S ATOM 0 H CYS A 119 -1.349 9.166 -15.931 1.00 0.84 H new ATOM 0 HA CYS A 119 -1.443 11.059 -13.962 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -3.057 12.216 -15.576 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -1.524 11.706 -16.255 1.00 1.11 H new ATOM 0 HG CYS A 119 -3.546 11.175 -18.154 1.00 2.07 H new ATOM 1496 N ARG A 120 -4.356 9.522 -14.154 1.00 0.82 N ATOM 1497 CA ARG A 120 -5.642 9.386 -13.474 1.00 0.82 C ATOM 1498 C ARG A 120 -5.467 8.823 -12.059 1.00 0.68 C ATOM 1499 O ARG A 120 -6.336 8.990 -11.202 1.00 0.77 O ATOM 1500 CB ARG A 120 -6.602 8.508 -14.288 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.328 7.017 -14.194 1.00 1.58 C ATOM 1502 CD ARG A 120 -7.381 6.215 -14.943 1.00 2.22 C ATOM 1503 NE ARG A 120 -7.373 4.801 -14.569 1.00 2.86 N ATOM 1504 CZ ARG A 120 -7.751 3.818 -15.383 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -8.105 4.090 -16.633 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -7.763 2.562 -14.952 1.00 4.59 N ATOM 0 H ARG A 120 -4.233 8.906 -14.958 1.00 0.82 H new ATOM 0 HA ARG A 120 -6.076 10.382 -13.388 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -7.621 8.699 -13.952 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -6.550 8.809 -15.334 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -5.342 6.799 -14.604 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -6.312 6.713 -13.147 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -8.366 6.636 -14.742 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -7.209 6.306 -16.015 1.00 2.22 H new ATOM 0 HE ARG A 120 -7.060 4.554 -13.630 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -8.087 5.053 -16.970 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -8.395 3.336 -17.256 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -7.482 2.349 -13.995 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -8.053 1.811 -15.578 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.334 8.176 -11.810 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.054 7.613 -10.494 1.00 0.56 C ATOM 1522 C HIS A 121 -3.456 8.665 -9.574 1.00 0.50 C ATOM 1523 O HIS A 121 -3.538 8.540 -8.359 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.062 6.446 -10.575 1.00 0.66 C ATOM 1525 CG HIS A 121 -3.589 5.184 -11.186 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -4.924 4.935 -11.398 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -2.933 4.083 -11.623 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -5.065 3.742 -11.939 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -3.872 3.204 -12.088 1.00 1.22 N ATOM 0 H HIS A 121 -3.597 8.029 -12.499 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.006 7.257 -10.101 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.194 6.771 -11.149 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -2.712 6.221 -9.568 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -1.864 3.927 -11.607 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -6.002 3.282 -12.214 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -3.680 2.284 -12.485 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.871 9.703 -10.165 1.00 0.49 N ATOM 1539 CA ARG A 122 -1.997 10.616 -9.432 1.00 0.50 C ATOM 1540 C ARG A 122 -2.774 11.666 -8.652 1.00 0.62 C ATOM 1541 O ARG A 122 -2.196 12.383 -7.846 1.00 1.05 O ATOM 1542 CB ARG A 122 -1.026 11.284 -10.407 1.00 0.64 C ATOM 1543 CG ARG A 122 0.220 11.853 -9.751 1.00 0.75 C ATOM 1544 CD ARG A 122 1.273 12.205 -10.790 1.00 0.95 C ATOM 1545 NE ARG A 122 1.672 11.038 -11.582 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.700 11.021 -12.432 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.450 12.100 -12.607 1.00 2.38 N ATOM 1548 NH2 ARG A 122 2.985 9.915 -13.110 1.00 3.30 N ATOM 0 H ARG A 122 -2.986 9.934 -11.152 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.443 10.029 -8.700 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.726 10.556 -11.160 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -1.547 12.086 -10.929 1.00 0.64 H new ATOM 0 HG2 ARG A 122 -0.041 12.742 -9.177 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.628 11.128 -9.047 1.00 0.75 H new ATOM 0 HD2 ARG A 122 0.884 12.978 -11.453 1.00 0.95 H new ATOM 0 HD3 ARG A 122 2.148 12.622 -10.292 1.00 0.95 H new ATOM 0 HE ARG A 122 1.127 10.182 -11.476 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.243 12.954 -12.089 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.234 12.076 -13.259 1.00 2.38 H new ATOM 0 HH21 ARG A 122 2.418 9.077 -12.981 1.00 3.30 H new ATOM 0 HH22 ARG A 122 3.771 9.903 -13.760 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.077 11.740 -8.897 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.982 12.583 -8.145 1.00 0.82 C ATOM 1564 C LEU A 123 -4.683 14.085 -8.272 1.00 0.73 C ATOM 1565 O LEU A 123 -5.456 14.822 -8.884 1.00 1.31 O ATOM 1566 CB LEU A 123 -4.953 12.162 -6.692 1.00 1.23 C ATOM 1567 CG LEU A 123 -5.890 12.942 -5.817 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -7.275 12.327 -5.827 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -5.327 13.032 -4.422 1.00 1.47 C ATOM 0 H LEU A 123 -4.535 11.206 -9.635 1.00 0.57 H new ATOM 0 HA LEU A 123 -5.976 12.445 -8.569 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -5.204 11.104 -6.625 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -3.938 12.273 -6.311 1.00 1.23 H new ATOM 0 HG LEU A 123 -5.988 13.954 -6.210 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -7.936 12.910 -5.186 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -7.665 12.325 -6.845 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -7.221 11.303 -5.458 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.010 13.599 -3.790 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -5.203 12.029 -4.014 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -4.360 13.533 -4.452 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.580 14.524 -7.682 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.216 15.935 -7.644 1.00 0.63 C ATOM 1583 C GLU A 124 -3.068 16.503 -9.056 1.00 0.79 C ATOM 1584 O GLU A 124 -2.617 15.764 -9.956 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.916 16.124 -6.857 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.715 15.413 -7.469 1.00 1.70 C ATOM 1587 CD GLU A 124 0.607 15.888 -6.902 1.00 2.39 C ATOM 1588 OE1 GLU A 124 0.936 15.509 -5.759 1.00 2.69 O ATOM 1589 OE2 GLU A 124 1.324 16.648 -7.586 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.382 17.694 -9.259 1.00 1.11 O ATOM 0 H GLU A 124 -2.911 13.912 -7.215 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.017 16.479 -7.143 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.698 17.190 -6.786 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.062 15.760 -5.840 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.811 14.340 -7.302 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.718 15.569 -8.548 1.00 1.70 H new TER 1597 GLU A 124