USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 577 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 48 TYR OH : rot 154:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -70:sc= 1.13 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.087 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.031) USER MOD Single : A 21 SER OG : rot 7:sc= 0.413 USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.946) USER MOD Single : A 35 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-3.3!) USER MOD Single : A 36 MET CE :methyl -170:sc= 0 (180deg=-0.0114) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.461) USER MOD Single : A 63 MET CE :methyl 172:sc= -0.85 (180deg=-0.949) USER MOD Single : A 64 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= 0.863 (180deg=0.443) USER MOD Single : A 72 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-0.77) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0822) USER MOD Single : A 77 SER OG : rot 137:sc= 0.838 USER MOD Single : A 78 HIS : no HE2:sc= 0.00139 X(o=0.0014,f=-0.48) USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.993 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 127:sc= 1.33 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.356 -18.843 -2.872 1.00 52.23 N ATOM 2 CA GLY A 1 -1.427 -17.573 -3.604 1.00 55.23 C ATOM 3 C GLY A 1 -2.596 -17.550 -4.571 1.00 40.14 C ATOM 4 O GLY A 1 -3.431 -18.459 -4.573 1.00 54.35 O ATOM 0 H1 GLY A 1 -1.422 -18.659 -1.851 1.00 52.23 H new ATOM 0 H2 GLY A 1 -2.143 -19.457 -3.165 1.00 52.23 H new ATOM 0 H3 GLY A 1 -0.453 -19.314 -3.081 1.00 52.23 H new ATOM 0 HA2 GLY A 1 -1.523 -16.749 -2.896 1.00 55.23 H new ATOM 0 HA3 GLY A 1 -0.498 -17.416 -4.152 1.00 55.23 H new ATOM 8 N ALA A 2 -2.652 -16.510 -5.402 1.00 73.13 N ATOM 9 CA ALA A 2 -3.624 -16.324 -6.476 1.00 75.21 C ATOM 10 C ALA A 2 -2.874 -16.161 -7.810 1.00 73.21 C ATOM 11 O ALA A 2 -1.694 -15.789 -7.806 1.00 24.12 O ATOM 12 CB ALA A 2 -4.470 -15.088 -6.161 1.00 21.20 C ATOM 0 H ALA A 2 -1.988 -15.738 -5.341 1.00 73.13 H new ATOM 0 HA ALA A 2 -4.284 -17.188 -6.558 1.00 75.21 H new ATOM 0 HB1 ALA A 2 -5.201 -14.936 -6.955 1.00 21.20 H new ATOM 0 HB2 ALA A 2 -4.988 -15.234 -5.213 1.00 21.20 H new ATOM 0 HB3 ALA A 2 -3.824 -14.213 -6.090 1.00 21.20 H new ATOM 18 N PRO A 3 -3.534 -16.422 -8.957 1.00 73.04 N ATOM 19 CA PRO A 3 -2.866 -16.482 -10.249 1.00 20.00 C ATOM 20 C PRO A 3 -2.509 -15.107 -10.784 1.00 33.40 C ATOM 21 O PRO A 3 -1.347 -14.872 -11.133 1.00 64.35 O ATOM 22 CB PRO A 3 -3.848 -17.230 -11.160 1.00 22.31 C ATOM 23 CG PRO A 3 -5.212 -16.899 -10.577 1.00 31.30 C ATOM 24 CD PRO A 3 -4.924 -16.828 -9.083 1.00 72.33 C ATOM 0 HA PRO A 3 -1.905 -16.993 -10.184 1.00 20.00 H new ATOM 0 HB2 PRO A 3 -3.765 -16.898 -12.195 1.00 22.31 H new ATOM 0 HB3 PRO A 3 -3.661 -18.304 -11.153 1.00 22.31 H new ATOM 0 HG2 PRO A 3 -5.599 -15.955 -10.961 1.00 31.30 H new ATOM 0 HG3 PRO A 3 -5.951 -17.666 -10.812 1.00 31.30 H new ATOM 0 HD2 PRO A 3 -5.584 -16.113 -8.593 1.00 72.33 H new ATOM 0 HD3 PRO A 3 -5.092 -17.794 -8.608 1.00 72.33 H new ATOM 29 N ARG A 4 -3.473 -14.201 -10.914 1.00 21.43 N ATOM 30 CA ARG A 4 -3.351 -13.077 -11.820 1.00 54.24 C ATOM 31 C ARG A 4 -4.536 -12.148 -11.585 1.00 62.33 C ATOM 32 O ARG A 4 -5.515 -12.552 -10.960 1.00 11.33 O ATOM 33 CB ARG A 4 -3.352 -13.658 -13.251 1.00 53.32 C ATOM 34 CG ARG A 4 -2.898 -12.642 -14.308 1.00 4.10 C ATOM 35 CD ARG A 4 -2.635 -13.292 -15.669 1.00 24.14 C ATOM 36 NE ARG A 4 -1.461 -14.181 -15.648 1.00 3.10 N ATOM 37 CZ ARG A 4 -1.013 -14.888 -16.691 1.00 23.32 C ATOM 38 NH1 ARG A 4 -1.662 -14.851 -17.850 1.00 74.34 N ATOM 39 NH2 ARG A 4 0.084 -15.621 -16.545 1.00 54.23 N ATOM 0 H ARG A 4 -4.352 -14.229 -10.397 1.00 21.43 H new ATOM 0 HA ARG A 4 -2.438 -12.503 -11.664 1.00 54.24 H new ATOM 0 HB2 ARG A 4 -2.696 -14.528 -13.285 1.00 53.32 H new ATOM 0 HB3 ARG A 4 -4.356 -14.006 -13.496 1.00 53.32 H new ATOM 0 HG2 ARG A 4 -3.661 -11.871 -14.418 1.00 4.10 H new ATOM 0 HG3 ARG A 4 -1.991 -12.146 -13.964 1.00 4.10 H new ATOM 0 HD2 ARG A 4 -3.513 -13.861 -15.973 1.00 24.14 H new ATOM 0 HD3 ARG A 4 -2.485 -12.514 -16.418 1.00 24.14 H new ATOM 0 HE ARG A 4 -0.950 -14.264 -14.769 1.00 3.10 H new ATOM 0 HH11 ARG A 4 -2.504 -14.283 -17.945 1.00 74.34 H new ATOM 0 HH12 ARG A 4 -1.319 -15.391 -18.644 1.00 74.34 H new ATOM 0 HH21 ARG A 4 0.570 -15.638 -15.648 1.00 54.23 H new ATOM 0 HH22 ARG A 4 0.441 -16.167 -17.329 1.00 54.23 H new ATOM 50 N GLY A 5 -4.441 -10.936 -12.114 1.00 44.24 N ATOM 51 CA GLY A 5 -5.500 -9.957 -12.199 1.00 34.11 C ATOM 52 C GLY A 5 -4.959 -8.740 -12.931 1.00 41.22 C ATOM 53 O GLY A 5 -3.765 -8.695 -13.273 1.00 42.42 O ATOM 0 H GLY A 5 -3.568 -10.596 -12.517 1.00 44.24 H new ATOM 0 HA2 GLY A 5 -6.358 -10.370 -12.729 1.00 34.11 H new ATOM 0 HA3 GLY A 5 -5.844 -9.680 -11.202 1.00 34.11 H new ATOM 57 N ARG A 6 -5.811 -7.742 -13.156 1.00 13.13 N ATOM 58 CA ARG A 6 -5.368 -6.393 -13.483 1.00 13.34 C ATOM 59 C ARG A 6 -6.437 -5.382 -13.117 1.00 30.11 C ATOM 60 O ARG A 6 -7.611 -5.726 -12.979 1.00 11.41 O ATOM 61 CB ARG A 6 -4.980 -6.236 -14.967 1.00 51.51 C ATOM 62 CG ARG A 6 -6.119 -6.235 -16.009 1.00 44.55 C ATOM 63 CD ARG A 6 -5.870 -5.158 -17.072 1.00 44.54 C ATOM 64 NE ARG A 6 -6.818 -5.229 -18.195 1.00 34.11 N ATOM 65 CZ ARG A 6 -6.805 -4.399 -19.249 1.00 73.45 C ATOM 66 NH1 ARG A 6 -5.980 -3.360 -19.303 1.00 3.32 N ATOM 67 NH2 ARG A 6 -7.622 -4.590 -20.275 1.00 13.21 N ATOM 0 H ARG A 6 -6.825 -7.848 -13.116 1.00 13.13 H new ATOM 0 HA ARG A 6 -4.470 -6.207 -12.894 1.00 13.34 H new ATOM 0 HB2 ARG A 6 -4.428 -5.302 -15.073 1.00 51.51 H new ATOM 0 HB3 ARG A 6 -4.293 -7.043 -15.221 1.00 51.51 H new ATOM 0 HG2 ARG A 6 -6.188 -7.214 -16.483 1.00 44.55 H new ATOM 0 HG3 ARG A 6 -7.073 -6.053 -15.514 1.00 44.55 H new ATOM 0 HD2 ARG A 6 -5.938 -4.174 -16.608 1.00 44.54 H new ATOM 0 HD3 ARG A 6 -4.854 -5.260 -17.454 1.00 44.54 H new ATOM 0 HE ARG A 6 -7.532 -5.957 -18.171 1.00 34.11 H new ATOM 0 HH11 ARG A 6 -5.337 -3.179 -18.532 1.00 3.32 H new ATOM 0 HH12 ARG A 6 -5.989 -2.743 -20.115 1.00 3.32 H new ATOM 0 HH21 ARG A 6 -8.272 -5.376 -20.270 1.00 13.21 H new ATOM 0 HH22 ARG A 6 -7.601 -3.951 -21.070 1.00 13.21 H new ATOM 78 N TYR A 7 -6.044 -4.115 -13.092 1.00 21.22 N ATOM 79 CA TYR A 7 -6.961 -3.000 -13.182 1.00 52.21 C ATOM 80 C TYR A 7 -6.241 -1.853 -13.889 1.00 23.14 C ATOM 81 O TYR A 7 -5.225 -2.068 -14.563 1.00 50.55 O ATOM 82 CB TYR A 7 -7.541 -2.650 -11.800 1.00 14.34 C ATOM 83 CG TYR A 7 -8.946 -2.086 -11.869 1.00 2.43 C ATOM 84 CD1 TYR A 7 -9.975 -2.886 -12.394 1.00 25.22 C ATOM 85 CD2 TYR A 7 -9.238 -0.788 -11.410 1.00 61.24 C ATOM 86 CE1 TYR A 7 -11.289 -2.400 -12.465 1.00 13.44 C ATOM 87 CE2 TYR A 7 -10.557 -0.301 -11.453 1.00 25.14 C ATOM 88 CZ TYR A 7 -11.591 -1.107 -11.985 1.00 41.33 C ATOM 89 OH TYR A 7 -12.871 -0.659 -12.083 1.00 21.33 O ATOM 0 H TYR A 7 -5.067 -3.836 -13.007 1.00 21.22 H new ATOM 0 HA TYR A 7 -7.837 -3.249 -13.780 1.00 52.21 H new ATOM 0 HB2 TYR A 7 -7.546 -3.545 -11.178 1.00 14.34 H new ATOM 0 HB3 TYR A 7 -6.889 -1.926 -11.312 1.00 14.34 H new ATOM 0 HD1 TYR A 7 -9.753 -3.883 -12.746 1.00 25.22 H new ATOM 0 HD2 TYR A 7 -8.446 -0.163 -11.023 1.00 61.24 H new ATOM 0 HE1 TYR A 7 -12.070 -3.015 -12.887 1.00 13.44 H new ATOM 0 HE2 TYR A 7 -10.780 0.688 -11.080 1.00 25.14 H new ATOM 0 HH TYR A 7 -12.930 0.246 -11.712 1.00 21.33 H new ATOM 98 N GLY A 8 -6.799 -0.651 -13.788 1.00 1.01 N ATOM 99 CA GLY A 8 -6.264 0.576 -14.354 1.00 13.34 C ATOM 100 C GLY A 8 -7.102 1.037 -15.545 1.00 23.54 C ATOM 101 O GLY A 8 -6.569 1.096 -16.658 1.00 64.42 O ATOM 0 H GLY A 8 -7.675 -0.502 -13.287 1.00 1.01 H new ATOM 0 HA2 GLY A 8 -6.247 1.356 -13.592 1.00 13.34 H new ATOM 0 HA3 GLY A 8 -5.233 0.416 -14.670 1.00 13.34 H new ATOM 105 N PRO A 9 -8.395 1.361 -15.349 1.00 61.22 N ATOM 106 CA PRO A 9 -9.177 2.079 -16.347 1.00 41.45 C ATOM 107 C PRO A 9 -8.602 3.496 -16.535 1.00 43.15 C ATOM 108 O PRO A 9 -7.743 3.933 -15.750 1.00 4.03 O ATOM 109 CB PRO A 9 -10.613 2.083 -15.801 1.00 30.30 C ATOM 110 CG PRO A 9 -10.428 2.029 -14.289 1.00 73.14 C ATOM 111 CD PRO A 9 -9.179 1.168 -14.139 1.00 22.21 C ATOM 0 HA PRO A 9 -9.150 1.617 -17.334 1.00 41.45 H new ATOM 0 HB2 PRO A 9 -11.154 2.979 -16.106 1.00 30.30 H new ATOM 0 HB3 PRO A 9 -11.182 1.227 -16.165 1.00 30.30 H new ATOM 0 HG2 PRO A 9 -10.290 3.022 -13.862 1.00 73.14 H new ATOM 0 HG3 PRO A 9 -11.289 1.584 -13.791 1.00 73.14 H new ATOM 0 HD2 PRO A 9 -8.609 1.461 -13.257 1.00 22.21 H new ATOM 0 HD3 PRO A 9 -9.445 0.118 -14.012 1.00 22.21 H new ATOM 116 N PRO A 10 -9.069 4.249 -17.547 1.00 4.33 N ATOM 117 CA PRO A 10 -8.675 5.633 -17.748 1.00 43.05 C ATOM 118 C PRO A 10 -9.326 6.527 -16.686 1.00 32.14 C ATOM 119 O PRO A 10 -10.309 7.227 -16.945 1.00 1.32 O ATOM 120 CB PRO A 10 -9.091 5.973 -19.182 1.00 41.33 C ATOM 121 CG PRO A 10 -10.316 5.090 -19.398 1.00 74.52 C ATOM 122 CD PRO A 10 -9.974 3.826 -18.609 1.00 4.12 C ATOM 0 HA PRO A 10 -7.604 5.796 -17.631 1.00 43.05 H new ATOM 0 HB2 PRO A 10 -9.330 7.031 -19.294 1.00 41.33 H new ATOM 0 HB3 PRO A 10 -8.299 5.748 -19.897 1.00 41.33 H new ATOM 0 HG2 PRO A 10 -11.225 5.563 -19.027 1.00 74.52 H new ATOM 0 HG3 PRO A 10 -10.477 4.875 -20.454 1.00 74.52 H new ATOM 0 HD2 PRO A 10 -10.873 3.368 -18.196 1.00 4.12 H new ATOM 0 HD3 PRO A 10 -9.502 3.081 -19.250 1.00 4.12 H new ATOM 127 N SER A 11 -8.757 6.536 -15.486 1.00 64.53 N ATOM 128 CA SER A 11 -9.027 7.513 -14.445 1.00 33.10 C ATOM 129 C SER A 11 -7.750 7.787 -13.653 1.00 71.43 C ATOM 130 O SER A 11 -6.790 7.012 -13.744 1.00 51.01 O ATOM 131 CB SER A 11 -10.188 7.042 -13.557 1.00 25.20 C ATOM 132 OG SER A 11 -10.216 5.635 -13.347 1.00 23.31 O ATOM 0 H SER A 11 -8.070 5.836 -15.204 1.00 64.53 H new ATOM 0 HA SER A 11 -9.340 8.456 -14.893 1.00 33.10 H new ATOM 0 HB2 SER A 11 -10.121 7.543 -12.591 1.00 25.20 H new ATOM 0 HB3 SER A 11 -11.129 7.351 -14.012 1.00 25.20 H new ATOM 0 HG SER A 11 -10.977 5.405 -12.774 1.00 23.31 H new ATOM 137 N ARG A 12 -7.738 8.872 -12.881 1.00 64.12 N ATOM 138 CA ARG A 12 -6.717 9.215 -11.889 1.00 65.31 C ATOM 139 C ARG A 12 -7.417 9.798 -10.671 1.00 25.31 C ATOM 140 O ARG A 12 -8.642 9.955 -10.681 1.00 2.42 O ATOM 141 CB ARG A 12 -5.716 10.247 -12.440 1.00 4.21 C ATOM 142 CG ARG A 12 -4.696 9.647 -13.407 1.00 33.23 C ATOM 143 CD ARG A 12 -4.948 9.979 -14.884 1.00 14.04 C ATOM 144 NE ARG A 12 -3.832 9.476 -15.706 1.00 54.35 N ATOM 145 CZ ARG A 12 -2.575 9.934 -15.625 1.00 44.41 C ATOM 146 NH1 ARG A 12 -2.346 11.122 -15.079 1.00 62.12 N ATOM 147 NH2 ARG A 12 -1.553 9.208 -16.051 1.00 73.14 N ATOM 0 H ARG A 12 -8.478 9.573 -12.932 1.00 64.12 H new ATOM 0 HA ARG A 12 -6.159 8.315 -11.631 1.00 65.31 H new ATOM 0 HB2 ARG A 12 -6.265 11.039 -12.949 1.00 4.21 H new ATOM 0 HB3 ARG A 12 -5.187 10.710 -11.607 1.00 4.21 H new ATOM 0 HG2 ARG A 12 -3.702 10.001 -13.133 1.00 33.23 H new ATOM 0 HG3 ARG A 12 -4.693 8.564 -13.286 1.00 33.23 H new ATOM 0 HD2 ARG A 12 -5.885 9.530 -15.213 1.00 14.04 H new ATOM 0 HD3 ARG A 12 -5.049 11.057 -15.012 1.00 14.04 H new ATOM 0 HE ARG A 12 -4.029 8.734 -16.378 1.00 54.35 H new ATOM 0 HH11 ARG A 12 -3.124 11.679 -14.725 1.00 62.12 H new ATOM 0 HH12 ARG A 12 -1.392 11.478 -15.013 1.00 62.12 H new ATOM 0 HH21 ARG A 12 -1.715 8.283 -16.449 1.00 73.14 H new ATOM 0 HH22 ARG A 12 -0.603 9.574 -15.981 1.00 73.14 H new ATOM 158 N ARG A 13 -6.644 10.164 -9.648 1.00 25.33 N ATOM 159 CA ARG A 13 -7.109 10.998 -8.554 1.00 5.45 C ATOM 160 C ARG A 13 -6.049 12.052 -8.286 1.00 10.02 C ATOM 161 O ARG A 13 -6.113 13.135 -8.875 1.00 44.22 O ATOM 162 CB ARG A 13 -7.440 10.137 -7.326 1.00 5.35 C ATOM 163 CG ARG A 13 -8.563 9.145 -7.631 1.00 14.42 C ATOM 164 CD ARG A 13 -9.102 8.502 -6.365 1.00 63.31 C ATOM 165 NE ARG A 13 -10.268 7.679 -6.691 1.00 71.14 N ATOM 166 CZ ARG A 13 -11.036 7.042 -5.807 1.00 34.34 C ATOM 167 NH1 ARG A 13 -10.794 7.101 -4.504 1.00 50.15 N ATOM 168 NH2 ARG A 13 -12.060 6.331 -6.251 1.00 13.14 N ATOM 0 H ARG A 13 -5.667 9.883 -9.560 1.00 25.33 H new ATOM 0 HA ARG A 13 -8.037 11.508 -8.811 1.00 5.45 H new ATOM 0 HB2 ARG A 13 -6.549 9.595 -7.008 1.00 5.35 H new ATOM 0 HB3 ARG A 13 -7.735 10.780 -6.497 1.00 5.35 H new ATOM 0 HG2 ARG A 13 -9.371 9.659 -8.151 1.00 14.42 H new ATOM 0 HG3 ARG A 13 -8.193 8.371 -8.303 1.00 14.42 H new ATOM 0 HD2 ARG A 13 -8.330 7.889 -5.899 1.00 63.31 H new ATOM 0 HD3 ARG A 13 -9.377 9.271 -5.643 1.00 63.31 H new ATOM 0 HE ARG A 13 -10.513 7.585 -7.677 1.00 71.14 H new ATOM 0 HH11 ARG A 13 -10.004 7.644 -4.156 1.00 50.15 H new ATOM 0 HH12 ARG A 13 -11.398 6.604 -3.850 1.00 50.15 H new ATOM 0 HH21 ARG A 13 -12.249 6.278 -7.252 1.00 13.14 H new ATOM 0 HH22 ARG A 13 -12.661 5.836 -5.592 1.00 13.14 H new ATOM 179 N SER A 14 -5.051 11.712 -7.487 1.00 12.25 N ATOM 180 CA SER A 14 -3.997 12.586 -7.007 1.00 72.42 C ATOM 181 C SER A 14 -2.736 11.751 -6.806 1.00 72.32 C ATOM 182 O SER A 14 -2.780 10.519 -6.771 1.00 34.52 O ATOM 183 CB SER A 14 -4.416 13.224 -5.672 1.00 54.01 C ATOM 184 OG SER A 14 -5.578 14.021 -5.812 1.00 33.25 O ATOM 0 H SER A 14 -4.951 10.760 -7.136 1.00 12.25 H new ATOM 0 HA SER A 14 -3.811 13.380 -7.730 1.00 72.42 H new ATOM 0 HB2 SER A 14 -4.599 12.441 -4.936 1.00 54.01 H new ATOM 0 HB3 SER A 14 -3.599 13.836 -5.289 1.00 54.01 H new ATOM 0 HG SER A 14 -5.815 14.409 -4.944 1.00 33.25 H new ATOM 189 N GLU A 15 -1.617 12.436 -6.614 1.00 34.55 N ATOM 190 CA GLU A 15 -0.272 11.918 -6.405 1.00 13.23 C ATOM 191 C GLU A 15 -0.070 11.236 -5.039 1.00 32.15 C ATOM 192 O GLU A 15 1.048 11.207 -4.527 1.00 23.55 O ATOM 193 CB GLU A 15 0.705 13.082 -6.650 1.00 32.33 C ATOM 194 CG GLU A 15 0.640 14.207 -5.601 1.00 23.45 C ATOM 195 CD GLU A 15 1.193 15.514 -6.165 1.00 74.14 C ATOM 196 OE1 GLU A 15 0.495 16.116 -7.010 1.00 70.33 O ATOM 197 OE2 GLU A 15 2.317 15.926 -5.784 1.00 73.40 O ATOM 0 H GLU A 15 -1.628 13.456 -6.599 1.00 34.55 H new ATOM 0 HA GLU A 15 -0.082 11.110 -7.111 1.00 13.23 H new ATOM 0 HB2 GLU A 15 1.720 12.687 -6.677 1.00 32.33 H new ATOM 0 HB3 GLU A 15 0.503 13.508 -7.633 1.00 32.33 H new ATOM 0 HG2 GLU A 15 -0.392 14.352 -5.282 1.00 23.45 H new ATOM 0 HG3 GLU A 15 1.209 13.918 -4.717 1.00 23.45 H new ATOM 202 N ASN A 16 -1.127 10.727 -4.392 1.00 24.35 N ATOM 203 CA ASN A 16 -1.070 10.112 -3.055 1.00 21.14 C ATOM 204 C ASN A 16 -1.779 8.749 -3.060 1.00 12.22 C ATOM 205 O ASN A 16 -2.117 8.233 -1.998 1.00 31.25 O ATOM 206 CB ASN A 16 -1.595 11.051 -1.926 1.00 65.40 C ATOM 207 CG ASN A 16 -1.370 12.541 -2.137 1.00 33.21 C ATOM 208 OD1 ASN A 16 -2.275 13.344 -1.943 1.00 61.33 O ATOM 209 ND2 ASN A 16 -0.185 12.970 -2.529 1.00 2.22 N ATOM 0 H ASN A 16 -2.066 10.730 -4.790 1.00 24.35 H new ATOM 0 HA ASN A 16 -0.019 9.945 -2.820 1.00 21.14 H new ATOM 0 HB2 ASN A 16 -2.665 10.879 -1.806 1.00 65.40 H new ATOM 0 HB3 ASN A 16 -1.119 10.761 -0.989 1.00 65.40 H new ATOM 0 HD21 ASN A 16 -0.025 13.967 -2.670 1.00 2.22 H new ATOM 0 HD22 ASN A 16 0.570 12.304 -2.691 1.00 2.22 H new ATOM 215 N ARG A 17 -1.995 8.146 -4.237 1.00 22.41 N ATOM 216 CA ARG A 17 -2.826 6.948 -4.459 1.00 14.34 C ATOM 217 C ARG A 17 -1.959 5.732 -4.815 1.00 22.25 C ATOM 218 O ARG A 17 -0.934 5.906 -5.483 1.00 33.43 O ATOM 219 CB ARG A 17 -3.811 7.257 -5.601 1.00 30.43 C ATOM 220 CG ARG A 17 -5.092 6.408 -5.557 1.00 64.31 C ATOM 221 CD ARG A 17 -5.448 5.769 -6.899 1.00 12.14 C ATOM 222 NE ARG A 17 -6.861 5.367 -6.932 1.00 11.03 N ATOM 223 CZ ARG A 17 -7.573 5.145 -8.042 1.00 63.15 C ATOM 224 NH1 ARG A 17 -6.999 5.161 -9.244 1.00 33.14 N ATOM 225 NH2 ARG A 17 -8.875 4.908 -7.947 1.00 34.43 N ATOM 0 H ARG A 17 -1.578 8.493 -5.101 1.00 22.41 H new ATOM 0 HA ARG A 17 -3.368 6.703 -3.546 1.00 14.34 H new ATOM 0 HB2 ARG A 17 -4.083 8.312 -5.559 1.00 30.43 H new ATOM 0 HB3 ARG A 17 -3.310 7.094 -6.555 1.00 30.43 H new ATOM 0 HG2 ARG A 17 -4.972 5.623 -4.810 1.00 64.31 H new ATOM 0 HG3 ARG A 17 -5.922 7.034 -5.231 1.00 64.31 H new ATOM 0 HD2 ARG A 17 -5.248 6.474 -7.706 1.00 12.14 H new ATOM 0 HD3 ARG A 17 -4.814 4.899 -7.071 1.00 12.14 H new ATOM 0 HE ARG A 17 -7.336 5.248 -6.037 1.00 11.03 H new ATOM 0 HH11 ARG A 17 -5.999 5.345 -9.329 1.00 33.14 H new ATOM 0 HH12 ARG A 17 -7.559 4.989 -10.079 1.00 33.14 H new ATOM 0 HH21 ARG A 17 -9.326 4.896 -7.032 1.00 34.43 H new ATOM 0 HH22 ARG A 17 -9.425 4.738 -8.789 1.00 34.43 H new ATOM 236 N VAL A 18 -2.349 4.516 -4.409 1.00 41.32 N ATOM 237 CA VAL A 18 -1.546 3.301 -4.616 1.00 54.02 C ATOM 238 C VAL A 18 -2.438 2.105 -4.955 1.00 74.43 C ATOM 239 O VAL A 18 -3.664 2.176 -4.867 1.00 65.13 O ATOM 240 CB VAL A 18 -0.643 3.005 -3.402 1.00 43.14 C ATOM 241 CG1 VAL A 18 0.290 4.180 -3.162 1.00 62.12 C ATOM 242 CG2 VAL A 18 -1.381 2.618 -2.124 1.00 42.13 C ATOM 0 H VAL A 18 -3.232 4.346 -3.927 1.00 41.32 H new ATOM 0 HA VAL A 18 -0.891 3.479 -5.469 1.00 54.02 H new ATOM 0 HB VAL A 18 -0.073 2.114 -3.663 1.00 43.14 H new ATOM 0 HG11 VAL A 18 0.928 3.969 -2.303 1.00 62.12 H new ATOM 0 HG12 VAL A 18 0.910 4.338 -4.044 1.00 62.12 H new ATOM 0 HG13 VAL A 18 -0.297 5.077 -2.966 1.00 62.12 H new ATOM 0 HG21 VAL A 18 -0.659 2.430 -1.329 1.00 42.13 H new ATOM 0 HG22 VAL A 18 -2.044 3.430 -1.827 1.00 42.13 H new ATOM 0 HG23 VAL A 18 -1.968 1.717 -2.301 1.00 42.13 H new ATOM 252 N VAL A 19 -1.827 0.983 -5.328 1.00 53.24 N ATOM 253 CA VAL A 19 -2.493 -0.248 -5.726 1.00 24.30 C ATOM 254 C VAL A 19 -1.645 -1.379 -5.120 1.00 11.10 C ATOM 255 O VAL A 19 -0.418 -1.242 -5.016 1.00 14.13 O ATOM 256 CB VAL A 19 -2.511 -0.319 -7.276 1.00 54.15 C ATOM 257 CG1 VAL A 19 -3.294 -1.509 -7.846 1.00 51.15 C ATOM 258 CG2 VAL A 19 -3.026 0.974 -7.935 1.00 71.14 C ATOM 0 H VAL A 19 -0.810 0.907 -5.361 1.00 53.24 H new ATOM 0 HA VAL A 19 -3.525 -0.315 -5.383 1.00 24.30 H new ATOM 0 HB VAL A 19 -1.460 -0.458 -7.528 1.00 54.15 H new ATOM 0 HG11 VAL A 19 -3.255 -1.482 -8.935 1.00 51.15 H new ATOM 0 HG12 VAL A 19 -2.852 -2.440 -7.490 1.00 51.15 H new ATOM 0 HG13 VAL A 19 -4.332 -1.452 -7.518 1.00 51.15 H new ATOM 0 HG21 VAL A 19 -3.014 0.860 -9.019 1.00 71.14 H new ATOM 0 HG22 VAL A 19 -4.045 1.171 -7.602 1.00 71.14 H new ATOM 0 HG23 VAL A 19 -2.384 1.808 -7.651 1.00 71.14 H new ATOM 268 N VAL A 20 -2.265 -2.496 -4.747 1.00 5.41 N ATOM 269 CA VAL A 20 -1.606 -3.681 -4.230 1.00 71.34 C ATOM 270 C VAL A 20 -1.910 -4.840 -5.190 1.00 5.43 C ATOM 271 O VAL A 20 -2.906 -4.804 -5.923 1.00 50.12 O ATOM 272 CB VAL A 20 -2.106 -3.923 -2.794 1.00 25.31 C ATOM 273 CG1 VAL A 20 -1.266 -5.006 -2.126 1.00 13.13 C ATOM 274 CG2 VAL A 20 -2.033 -2.660 -1.921 1.00 4.32 C ATOM 0 H VAL A 20 -3.278 -2.599 -4.801 1.00 5.41 H new ATOM 0 HA VAL A 20 -0.523 -3.575 -4.176 1.00 71.34 H new ATOM 0 HB VAL A 20 -3.150 -4.227 -2.877 1.00 25.31 H new ATOM 0 HG11 VAL A 20 -1.626 -5.171 -1.111 1.00 13.13 H new ATOM 0 HG12 VAL A 20 -1.347 -5.932 -2.695 1.00 13.13 H new ATOM 0 HG13 VAL A 20 -0.223 -4.690 -2.094 1.00 13.13 H new ATOM 0 HG21 VAL A 20 -2.398 -2.888 -0.920 1.00 4.32 H new ATOM 0 HG22 VAL A 20 -1.000 -2.318 -1.862 1.00 4.32 H new ATOM 0 HG23 VAL A 20 -2.650 -1.877 -2.362 1.00 4.32 H new ATOM 284 N SER A 21 -1.068 -5.875 -5.259 1.00 73.31 N ATOM 285 CA SER A 21 -1.309 -7.003 -6.147 1.00 41.33 C ATOM 286 C SER A 21 -0.731 -8.277 -5.558 1.00 72.33 C ATOM 287 O SER A 21 0.159 -8.213 -4.714 1.00 13.51 O ATOM 288 CB SER A 21 -0.715 -6.700 -7.527 1.00 2.43 C ATOM 289 OG SER A 21 -1.514 -5.716 -8.180 1.00 73.01 O ATOM 0 H SER A 21 -0.213 -5.950 -4.707 1.00 73.31 H new ATOM 0 HA SER A 21 -2.382 -7.156 -6.259 1.00 41.33 H new ATOM 0 HB2 SER A 21 0.310 -6.343 -7.424 1.00 2.43 H new ATOM 0 HB3 SER A 21 -0.676 -7.610 -8.126 1.00 2.43 H new ATOM 0 HG SER A 21 -2.189 -5.376 -7.556 1.00 73.01 H new ATOM 294 N GLY A 22 -1.236 -9.429 -6.006 1.00 64.42 N ATOM 295 CA GLY A 22 -0.801 -10.743 -5.543 1.00 54.13 C ATOM 296 C GLY A 22 -1.644 -11.274 -4.378 1.00 3.43 C ATOM 297 O GLY A 22 -1.276 -12.279 -3.767 1.00 13.22 O ATOM 0 H GLY A 22 -1.971 -9.472 -6.712 1.00 64.42 H new ATOM 0 HA2 GLY A 22 -0.850 -11.449 -6.372 1.00 54.13 H new ATOM 0 HA3 GLY A 22 0.243 -10.687 -5.234 1.00 54.13 H new ATOM 301 N LEU A 23 -2.759 -10.609 -4.050 1.00 32.33 N ATOM 302 CA LEU A 23 -3.619 -10.931 -2.917 1.00 25.33 C ATOM 303 C LEU A 23 -4.175 -12.361 -2.997 1.00 63.34 C ATOM 304 O LEU A 23 -4.342 -12.881 -4.098 1.00 30.33 O ATOM 305 CB LEU A 23 -4.797 -9.943 -2.874 1.00 11.20 C ATOM 306 CG LEU A 23 -4.544 -8.546 -2.300 1.00 64.44 C ATOM 307 CD1 LEU A 23 -4.201 -8.617 -0.812 1.00 73.05 C ATOM 308 CD2 LEU A 23 -3.500 -7.733 -3.063 1.00 44.12 C ATOM 0 H LEU A 23 -3.093 -9.808 -4.586 1.00 32.33 H new ATOM 0 HA LEU A 23 -3.013 -10.855 -2.014 1.00 25.33 H new ATOM 0 HB2 LEU A 23 -5.170 -9.823 -3.891 1.00 11.20 H new ATOM 0 HB3 LEU A 23 -5.597 -10.403 -2.294 1.00 11.20 H new ATOM 0 HG LEU A 23 -5.483 -8.007 -2.425 1.00 64.44 H new ATOM 0 HD11 LEU A 23 -4.026 -7.611 -0.430 1.00 73.05 H new ATOM 0 HD12 LEU A 23 -5.029 -9.072 -0.269 1.00 73.05 H new ATOM 0 HD13 LEU A 23 -3.303 -9.218 -0.674 1.00 73.05 H new ATOM 0 HD21 LEU A 23 -3.382 -6.758 -2.591 1.00 44.12 H new ATOM 0 HD22 LEU A 23 -2.546 -8.261 -3.049 1.00 44.12 H new ATOM 0 HD23 LEU A 23 -3.826 -7.599 -4.095 1.00 44.12 H new ATOM 319 N PRO A 24 -4.535 -12.985 -1.862 1.00 45.32 N ATOM 320 CA PRO A 24 -5.041 -14.357 -1.796 1.00 70.35 C ATOM 321 C PRO A 24 -6.482 -14.486 -2.315 1.00 31.10 C ATOM 322 O PRO A 24 -7.156 -13.475 -2.541 1.00 73.11 O ATOM 323 CB PRO A 24 -4.989 -14.704 -0.304 1.00 12.20 C ATOM 324 CG PRO A 24 -5.264 -13.357 0.352 1.00 45.14 C ATOM 325 CD PRO A 24 -4.432 -12.440 -0.515 1.00 51.44 C ATOM 0 HA PRO A 24 -4.448 -15.023 -2.423 1.00 70.35 H new ATOM 0 HB2 PRO A 24 -5.738 -15.449 -0.033 1.00 12.20 H new ATOM 0 HB3 PRO A 24 -4.019 -15.107 -0.014 1.00 12.20 H new ATOM 0 HG2 PRO A 24 -6.322 -13.096 0.331 1.00 45.14 H new ATOM 0 HG3 PRO A 24 -4.951 -13.335 1.396 1.00 45.14 H new ATOM 0 HD2 PRO A 24 -4.805 -11.416 -0.475 1.00 51.44 H new ATOM 0 HD3 PRO A 24 -3.395 -12.415 -0.179 1.00 51.44 H new ATOM 330 N PRO A 25 -7.023 -15.715 -2.411 1.00 62.13 N ATOM 331 CA PRO A 25 -8.429 -15.932 -2.726 1.00 64.01 C ATOM 332 C PRO A 25 -9.404 -15.592 -1.583 1.00 10.21 C ATOM 333 O PRO A 25 -10.608 -15.584 -1.841 1.00 5.43 O ATOM 334 CB PRO A 25 -8.518 -17.406 -3.127 1.00 25.22 C ATOM 335 CG PRO A 25 -7.408 -18.063 -2.310 1.00 11.34 C ATOM 336 CD PRO A 25 -6.320 -16.992 -2.321 1.00 44.24 C ATOM 0 HA PRO A 25 -8.741 -15.254 -3.521 1.00 64.01 H new ATOM 0 HB2 PRO A 25 -9.495 -17.828 -2.891 1.00 25.22 H new ATOM 0 HB3 PRO A 25 -8.363 -17.541 -4.197 1.00 25.22 H new ATOM 0 HG2 PRO A 25 -7.734 -18.301 -1.298 1.00 11.34 H new ATOM 0 HG3 PRO A 25 -7.067 -18.994 -2.762 1.00 11.34 H new ATOM 0 HD2 PRO A 25 -5.713 -17.042 -1.417 1.00 44.24 H new ATOM 0 HD3 PRO A 25 -5.645 -17.128 -3.166 1.00 44.24 H new ATOM 341 N SER A 26 -8.952 -15.289 -0.356 1.00 21.42 N ATOM 342 CA SER A 26 -9.828 -14.925 0.768 1.00 51.24 C ATOM 343 C SER A 26 -9.218 -13.747 1.538 1.00 51.22 C ATOM 344 O SER A 26 -8.872 -13.840 2.720 1.00 3.30 O ATOM 345 CB SER A 26 -10.090 -16.153 1.651 1.00 41.55 C ATOM 346 OG SER A 26 -11.399 -16.149 2.197 1.00 31.42 O ATOM 0 H SER A 26 -7.961 -15.290 -0.115 1.00 21.42 H new ATOM 0 HA SER A 26 -10.799 -14.595 0.399 1.00 51.24 H new ATOM 0 HB2 SER A 26 -9.946 -17.059 1.063 1.00 41.55 H new ATOM 0 HB3 SER A 26 -9.360 -16.179 2.460 1.00 41.55 H new ATOM 0 HG SER A 26 -11.394 -16.609 3.062 1.00 31.42 H new ATOM 351 N GLY A 27 -9.032 -12.636 0.836 1.00 33.12 N ATOM 352 CA GLY A 27 -8.609 -11.372 1.399 1.00 63.12 C ATOM 353 C GLY A 27 -9.639 -10.319 1.028 1.00 50.33 C ATOM 354 O GLY A 27 -10.231 -10.355 -0.059 1.00 34.12 O ATOM 0 H GLY A 27 -9.178 -12.595 -0.173 1.00 33.12 H new ATOM 0 HA2 GLY A 27 -8.518 -11.450 2.482 1.00 63.12 H new ATOM 0 HA3 GLY A 27 -7.627 -11.095 1.016 1.00 63.12 H new ATOM 358 N SER A 28 -9.792 -9.338 1.907 1.00 30.11 N ATOM 359 CA SER A 28 -10.532 -8.130 1.617 1.00 21.23 C ATOM 360 C SER A 28 -9.749 -6.947 2.178 1.00 3.01 C ATOM 361 O SER A 28 -8.657 -7.079 2.733 1.00 62.54 O ATOM 362 CB SER A 28 -11.963 -8.207 2.171 1.00 72.14 C ATOM 363 OG SER A 28 -12.746 -9.215 1.558 1.00 52.01 O ATOM 0 H SER A 28 -9.400 -9.364 2.848 1.00 30.11 H new ATOM 0 HA SER A 28 -10.641 -8.002 0.540 1.00 21.23 H new ATOM 0 HB2 SER A 28 -11.920 -8.392 3.244 1.00 72.14 H new ATOM 0 HB3 SER A 28 -12.451 -7.242 2.033 1.00 72.14 H new ATOM 0 HG SER A 28 -13.643 -9.217 1.952 1.00 52.01 H new ATOM 368 N TRP A 29 -10.310 -5.757 1.994 1.00 70.41 N ATOM 369 CA TRP A 29 -9.712 -4.490 2.370 1.00 41.25 C ATOM 370 C TRP A 29 -9.514 -4.370 3.877 1.00 24.11 C ATOM 371 O TRP A 29 -8.730 -3.532 4.305 1.00 54.33 O ATOM 372 CB TRP A 29 -10.623 -3.386 1.837 1.00 43.25 C ATOM 373 CG TRP A 29 -12.068 -3.576 2.139 1.00 11.14 C ATOM 374 CD1 TRP A 29 -12.989 -4.081 1.290 1.00 63.35 C ATOM 375 CD2 TRP A 29 -12.761 -3.311 3.395 1.00 32.12 C ATOM 376 NE1 TRP A 29 -14.182 -4.211 1.961 1.00 11.40 N ATOM 377 CE2 TRP A 29 -14.099 -3.775 3.265 1.00 41.04 C ATOM 378 CE3 TRP A 29 -12.393 -2.727 4.627 1.00 32.12 C ATOM 379 CZ2 TRP A 29 -15.027 -3.692 4.311 1.00 23.11 C ATOM 380 CZ3 TRP A 29 -13.315 -2.638 5.687 1.00 54.11 C ATOM 381 CH2 TRP A 29 -14.627 -3.121 5.531 1.00 42.05 C ATOM 0 H TRP A 29 -11.228 -5.649 1.562 1.00 70.41 H new ATOM 0 HA TRP A 29 -8.714 -4.408 1.938 1.00 41.25 H new ATOM 0 HB2 TRP A 29 -10.300 -2.433 2.255 1.00 43.25 H new ATOM 0 HB3 TRP A 29 -10.497 -3.319 0.756 1.00 43.25 H new ATOM 0 HD1 TRP A 29 -12.817 -4.340 0.256 1.00 63.35 H new ATOM 0 HE1 TRP A 29 -15.032 -4.587 1.541 1.00 11.40 H new ATOM 0 HE3 TRP A 29 -11.392 -2.344 4.758 1.00 32.12 H new ATOM 0 HZ2 TRP A 29 -16.034 -4.061 4.182 1.00 23.11 H new ATOM 0 HZ3 TRP A 29 -13.013 -2.196 6.625 1.00 54.11 H new ATOM 0 HH2 TRP A 29 -15.328 -3.053 6.350 1.00 42.05 H new ATOM 391 N GLN A 30 -10.210 -5.186 4.671 1.00 11.23 N ATOM 392 CA GLN A 30 -10.136 -5.169 6.117 1.00 45.22 C ATOM 393 C GLN A 30 -8.759 -5.700 6.529 1.00 52.01 C ATOM 394 O GLN A 30 -7.979 -4.963 7.130 1.00 54.41 O ATOM 395 CB GLN A 30 -11.346 -5.956 6.659 1.00 13.30 C ATOM 396 CG GLN A 30 -11.813 -5.501 8.046 1.00 42.12 C ATOM 397 CD GLN A 30 -13.340 -5.576 8.170 1.00 71.12 C ATOM 398 OE1 GLN A 30 -13.978 -6.564 7.799 1.00 24.23 O ATOM 399 NE2 GLN A 30 -13.958 -4.527 8.683 1.00 4.21 N ATOM 0 H GLN A 30 -10.853 -5.890 4.309 1.00 11.23 H new ATOM 0 HA GLN A 30 -10.208 -4.172 6.551 1.00 45.22 H new ATOM 0 HB2 GLN A 30 -12.174 -5.858 5.957 1.00 13.30 H new ATOM 0 HB3 GLN A 30 -11.089 -7.014 6.702 1.00 13.30 H new ATOM 0 HG2 GLN A 30 -11.352 -6.126 8.811 1.00 42.12 H new ATOM 0 HG3 GLN A 30 -11.481 -4.479 8.227 1.00 42.12 H new ATOM 0 HE21 GLN A 30 -13.419 -3.716 8.986 1.00 4.21 H new ATOM 0 HE22 GLN A 30 -14.974 -4.528 8.776 1.00 4.21 H new ATOM 406 N ASP A 31 -8.410 -6.923 6.108 1.00 70.54 N ATOM 407 CA ASP A 31 -7.084 -7.505 6.356 1.00 23.20 C ATOM 408 C ASP A 31 -5.998 -6.694 5.633 1.00 71.32 C ATOM 409 O ASP A 31 -4.857 -6.599 6.085 1.00 30.43 O ATOM 410 CB ASP A 31 -7.021 -9.012 5.971 1.00 64.24 C ATOM 411 CG ASP A 31 -7.763 -9.900 6.967 1.00 41.44 C ATOM 412 OD1 ASP A 31 -7.412 -9.919 8.173 1.00 43.05 O ATOM 413 OD2 ASP A 31 -8.778 -10.526 6.565 1.00 32.53 O ATOM 0 H ASP A 31 -9.037 -7.536 5.587 1.00 70.54 H new ATOM 0 HA ASP A 31 -6.896 -7.452 7.428 1.00 23.20 H new ATOM 0 HB2 ASP A 31 -7.449 -9.148 4.978 1.00 64.24 H new ATOM 0 HB3 ASP A 31 -5.979 -9.326 5.915 1.00 64.24 H new ATOM 417 N LEU A 32 -6.344 -6.020 4.532 1.00 10.44 N ATOM 418 CA LEU A 32 -5.419 -5.124 3.845 1.00 50.22 C ATOM 419 C LEU A 32 -5.058 -3.939 4.734 1.00 34.30 C ATOM 420 O LEU A 32 -3.878 -3.685 4.937 1.00 1.43 O ATOM 421 CB LEU A 32 -6.028 -4.670 2.514 1.00 23.12 C ATOM 422 CG LEU A 32 -5.070 -4.196 1.412 1.00 11.41 C ATOM 423 CD1 LEU A 32 -4.428 -2.856 1.720 1.00 2.03 C ATOM 424 CD2 LEU A 32 -3.985 -5.199 1.042 1.00 30.22 C ATOM 0 H LEU A 32 -7.265 -6.081 4.098 1.00 10.44 H new ATOM 0 HA LEU A 32 -4.494 -5.659 3.629 1.00 50.22 H new ATOM 0 HB2 LEU A 32 -6.614 -5.498 2.115 1.00 23.12 H new ATOM 0 HB3 LEU A 32 -6.724 -3.858 2.724 1.00 23.12 H new ATOM 0 HG LEU A 32 -5.723 -4.088 0.546 1.00 11.41 H new ATOM 0 HD11 LEU A 32 -3.762 -2.575 0.904 1.00 2.03 H new ATOM 0 HD12 LEU A 32 -5.203 -2.098 1.832 1.00 2.03 H new ATOM 0 HD13 LEU A 32 -3.857 -2.930 2.645 1.00 2.03 H new ATOM 0 HD21 LEU A 32 -3.355 -4.781 0.257 1.00 30.22 H new ATOM 0 HD22 LEU A 32 -3.375 -5.416 1.919 1.00 30.22 H new ATOM 0 HD23 LEU A 32 -4.447 -6.119 0.685 1.00 30.22 H new ATOM 435 N LYS A 33 -6.042 -3.203 5.253 1.00 14.23 N ATOM 436 CA LYS A 33 -5.823 -2.021 6.089 1.00 21.30 C ATOM 437 C LYS A 33 -5.157 -2.405 7.412 1.00 25.24 C ATOM 438 O LYS A 33 -4.485 -1.574 8.013 1.00 52.00 O ATOM 439 CB LYS A 33 -7.181 -1.352 6.350 1.00 31.54 C ATOM 440 CG LYS A 33 -7.062 0.170 6.468 1.00 61.43 C ATOM 441 CD LYS A 33 -8.423 0.781 6.814 1.00 11.33 C ATOM 442 CE LYS A 33 -8.534 2.246 6.388 1.00 62.14 C ATOM 443 NZ LYS A 33 -9.894 2.765 6.642 1.00 73.31 N ATOM 0 H LYS A 33 -7.028 -3.414 5.102 1.00 14.23 H new ATOM 0 HA LYS A 33 -5.158 -1.328 5.573 1.00 21.30 H new ATOM 0 HB2 LYS A 33 -7.868 -1.599 5.541 1.00 31.54 H new ATOM 0 HB3 LYS A 33 -7.612 -1.753 7.267 1.00 31.54 H new ATOM 0 HG2 LYS A 33 -6.334 0.427 7.237 1.00 61.43 H new ATOM 0 HG3 LYS A 33 -6.696 0.587 5.530 1.00 61.43 H new ATOM 0 HD2 LYS A 33 -9.210 0.204 6.328 1.00 11.33 H new ATOM 0 HD3 LYS A 33 -8.589 0.705 7.889 1.00 11.33 H new ATOM 0 HE2 LYS A 33 -7.804 2.844 6.933 1.00 62.14 H new ATOM 0 HE3 LYS A 33 -8.296 2.340 5.329 1.00 62.14 H new ATOM 0 HZ1 LYS A 33 -10.027 3.658 6.125 1.00 73.31 H new ATOM 0 HZ2 LYS A 33 -10.597 2.070 6.319 1.00 73.31 H new ATOM 0 HZ3 LYS A 33 -10.017 2.933 7.661 1.00 73.31 H new ATOM 453 N ASP A 34 -5.328 -3.644 7.888 1.00 21.33 N ATOM 454 CA ASP A 34 -4.746 -4.073 9.166 1.00 73.31 C ATOM 455 C ASP A 34 -3.241 -4.241 8.989 1.00 61.55 C ATOM 456 O ASP A 34 -2.464 -4.023 9.915 1.00 43.40 O ATOM 457 CB ASP A 34 -5.330 -5.420 9.644 1.00 53.11 C ATOM 458 CG ASP A 34 -4.496 -6.688 9.397 1.00 51.41 C ATOM 459 OD1 ASP A 34 -3.494 -6.885 10.122 1.00 64.52 O ATOM 460 OD2 ASP A 34 -4.909 -7.609 8.670 1.00 74.31 O ATOM 0 H ASP A 34 -5.864 -4.367 7.408 1.00 21.33 H new ATOM 0 HA ASP A 34 -4.980 -3.313 9.911 1.00 73.31 H new ATOM 0 HB2 ASP A 34 -5.515 -5.344 10.715 1.00 53.11 H new ATOM 0 HB3 ASP A 34 -6.298 -5.556 9.162 1.00 53.11 H new ATOM 464 N HIS A 35 -2.848 -4.635 7.778 1.00 3.20 N ATOM 465 CA HIS A 35 -1.476 -4.808 7.335 1.00 72.51 C ATOM 466 C HIS A 35 -0.850 -3.489 6.870 1.00 1.45 C ATOM 467 O HIS A 35 0.237 -3.114 7.321 1.00 12.14 O ATOM 468 CB HIS A 35 -1.477 -5.863 6.202 1.00 52.24 C ATOM 469 CG HIS A 35 -1.447 -7.277 6.723 1.00 30.42 C ATOM 470 ND1 HIS A 35 -2.534 -7.966 7.208 1.00 54.35 N ATOM 471 CD2 HIS A 35 -0.340 -8.061 6.917 1.00 54.44 C ATOM 472 CE1 HIS A 35 -2.093 -9.116 7.724 1.00 30.00 C ATOM 473 NE2 HIS A 35 -0.761 -9.232 7.565 1.00 25.23 N ATOM 0 H HIS A 35 -3.521 -4.853 7.043 1.00 3.20 H new ATOM 0 HA HIS A 35 -0.863 -5.149 8.169 1.00 72.51 H new ATOM 0 HB2 HIS A 35 -2.365 -5.726 5.585 1.00 52.24 H new ATOM 0 HB3 HIS A 35 -0.613 -5.699 5.558 1.00 52.24 H new ATOM 0 HD1 HIS A 35 -3.505 -7.654 7.179 1.00 54.35 H new ATOM 0 HD2 HIS A 35 0.672 -7.821 6.625 1.00 54.44 H new ATOM 0 HE1 HIS A 35 -2.720 -9.853 8.204 1.00 30.00 H new ATOM 480 N MET A 36 -1.494 -2.774 5.944 1.00 23.42 N ATOM 481 CA MET A 36 -0.920 -1.641 5.222 1.00 71.14 C ATOM 482 C MET A 36 -0.983 -0.349 6.037 1.00 22.41 C ATOM 483 O MET A 36 -1.251 0.722 5.500 1.00 61.31 O ATOM 484 CB MET A 36 -1.604 -1.518 3.851 1.00 71.12 C ATOM 485 CG MET A 36 -0.841 -0.632 2.863 1.00 72.14 C ATOM 486 SD MET A 36 -1.168 -1.100 1.146 1.00 51.24 S ATOM 487 CE MET A 36 0.082 -0.116 0.297 1.00 25.14 C ATOM 0 H MET A 36 -2.456 -2.975 5.670 1.00 23.42 H new ATOM 0 HA MET A 36 0.142 -1.822 5.058 1.00 71.14 H new ATOM 0 HB2 MET A 36 -1.718 -2.513 3.421 1.00 71.12 H new ATOM 0 HB3 MET A 36 -2.607 -1.114 3.989 1.00 71.12 H new ATOM 0 HG2 MET A 36 -1.124 0.409 3.016 1.00 72.14 H new ATOM 0 HG3 MET A 36 0.228 -0.704 3.062 1.00 72.14 H new ATOM 0 HE1 MET A 36 -0.096 -0.150 -0.778 1.00 25.14 H new ATOM 0 HE2 MET A 36 0.028 0.917 0.641 1.00 25.14 H new ATOM 0 HE3 MET A 36 1.071 -0.519 0.513 1.00 25.14 H new ATOM 495 N ARG A 37 -0.742 -0.411 7.340 1.00 74.34 N ATOM 496 CA ARG A 37 -0.852 0.712 8.274 1.00 12.42 C ATOM 497 C ARG A 37 0.506 1.092 8.872 1.00 33.32 C ATOM 498 O ARG A 37 0.590 1.985 9.712 1.00 43.30 O ATOM 499 CB ARG A 37 -1.964 0.403 9.300 1.00 5.33 C ATOM 500 CG ARG A 37 -2.038 -1.040 9.831 1.00 23.55 C ATOM 501 CD ARG A 37 -0.864 -1.504 10.694 1.00 74.20 C ATOM 502 NE ARG A 37 -1.324 -2.269 11.861 1.00 23.54 N ATOM 503 CZ ARG A 37 -1.717 -1.781 13.044 1.00 74.34 C ATOM 504 NH1 ARG A 37 -1.710 -0.478 13.282 1.00 51.31 N ATOM 505 NH2 ARG A 37 -2.157 -2.611 13.980 1.00 1.35 N ATOM 0 H ARG A 37 -0.453 -1.276 7.797 1.00 74.34 H new ATOM 0 HA ARG A 37 -1.156 1.617 7.749 1.00 12.42 H new ATOM 0 HB2 ARG A 37 -1.836 1.072 10.151 1.00 5.33 H new ATOM 0 HB3 ARG A 37 -2.924 0.647 8.844 1.00 5.33 H new ATOM 0 HG2 ARG A 37 -2.953 -1.144 10.414 1.00 23.55 H new ATOM 0 HG3 ARG A 37 -2.124 -1.714 8.979 1.00 23.55 H new ATOM 0 HD2 ARG A 37 -0.192 -2.119 10.096 1.00 74.20 H new ATOM 0 HD3 ARG A 37 -0.291 -0.638 11.027 1.00 74.20 H new ATOM 0 HE ARG A 37 -1.346 -3.284 11.759 1.00 23.54 H new ATOM 0 HH11 ARG A 37 -1.402 0.171 12.558 1.00 51.31 H new ATOM 0 HH12 ARG A 37 -2.013 -0.124 14.189 1.00 51.31 H new ATOM 0 HH21 ARG A 37 -2.194 -3.614 13.796 1.00 1.35 H new ATOM 0 HH22 ARG A 37 -2.458 -2.247 14.884 1.00 1.35 H new ATOM 516 N GLU A 38 1.576 0.417 8.451 1.00 42.32 N ATOM 517 CA GLU A 38 2.929 0.556 8.985 1.00 5.35 C ATOM 518 C GLU A 38 3.724 1.699 8.330 1.00 54.21 C ATOM 519 O GLU A 38 4.834 1.994 8.769 1.00 40.01 O ATOM 520 CB GLU A 38 3.646 -0.784 8.753 1.00 64.50 C ATOM 521 CG GLU A 38 4.620 -1.205 9.854 1.00 23.45 C ATOM 522 CD GLU A 38 5.093 -2.643 9.618 1.00 12.43 C ATOM 523 OE1 GLU A 38 4.263 -3.575 9.749 1.00 22.25 O ATOM 524 OE2 GLU A 38 6.284 -2.860 9.294 1.00 22.15 O ATOM 0 H GLU A 38 1.520 -0.269 7.698 1.00 42.32 H new ATOM 0 HA GLU A 38 2.865 0.808 10.044 1.00 5.35 H new ATOM 0 HB2 GLU A 38 2.894 -1.564 8.639 1.00 64.50 H new ATOM 0 HB3 GLU A 38 4.191 -0.727 7.811 1.00 64.50 H new ATOM 0 HG2 GLU A 38 5.476 -0.531 9.870 1.00 23.45 H new ATOM 0 HG3 GLU A 38 4.136 -1.129 10.827 1.00 23.45 H new ATOM 529 N ALA A 39 3.205 2.316 7.262 1.00 30.22 N ATOM 530 CA ALA A 39 3.945 3.204 6.364 1.00 52.00 C ATOM 531 C ALA A 39 3.493 4.670 6.465 1.00 30.21 C ATOM 532 O ALA A 39 3.643 5.436 5.513 1.00 22.14 O ATOM 533 CB ALA A 39 3.854 2.656 4.932 1.00 24.15 C ATOM 0 H ALA A 39 2.227 2.206 6.992 1.00 30.22 H new ATOM 0 HA ALA A 39 4.990 3.216 6.672 1.00 52.00 H new ATOM 0 HB1 ALA A 39 4.403 3.312 4.256 1.00 24.15 H new ATOM 0 HB2 ALA A 39 4.286 1.656 4.897 1.00 24.15 H new ATOM 0 HB3 ALA A 39 2.809 2.611 4.625 1.00 24.15 H new ATOM 539 N GLY A 40 2.933 5.072 7.605 1.00 4.01 N ATOM 540 CA GLY A 40 2.555 6.450 7.898 1.00 63.22 C ATOM 541 C GLY A 40 1.078 6.489 8.247 1.00 73.10 C ATOM 542 O GLY A 40 0.701 6.057 9.339 1.00 54.14 O ATOM 0 H GLY A 40 2.725 4.430 8.369 1.00 4.01 H new ATOM 0 HA2 GLY A 40 3.149 6.836 8.727 1.00 63.22 H new ATOM 0 HA3 GLY A 40 2.756 7.088 7.037 1.00 63.22 H new ATOM 546 N ASP A 41 0.236 6.951 7.327 1.00 53.31 N ATOM 547 CA ASP A 41 -1.206 7.040 7.519 1.00 34.54 C ATOM 548 C ASP A 41 -1.944 6.631 6.248 1.00 64.33 C ATOM 549 O ASP A 41 -1.588 7.079 5.154 1.00 5.23 O ATOM 550 CB ASP A 41 -1.599 8.471 7.900 1.00 22.35 C ATOM 551 CG ASP A 41 -3.105 8.586 8.146 1.00 61.20 C ATOM 552 OD1 ASP A 41 -3.686 7.633 8.713 1.00 4.01 O ATOM 553 OD2 ASP A 41 -3.681 9.638 7.783 1.00 5.41 O ATOM 0 H ASP A 41 0.543 7.279 6.412 1.00 53.31 H new ATOM 0 HA ASP A 41 -1.486 6.360 8.324 1.00 34.54 H new ATOM 0 HB2 ASP A 41 -1.058 8.773 8.797 1.00 22.35 H new ATOM 0 HB3 ASP A 41 -1.305 9.156 7.104 1.00 22.35 H new ATOM 557 N VAL A 42 -2.970 5.794 6.393 1.00 13.45 N ATOM 558 CA VAL A 42 -3.896 5.385 5.353 1.00 5.33 C ATOM 559 C VAL A 42 -5.305 5.625 5.872 1.00 13.23 C ATOM 560 O VAL A 42 -5.632 5.234 6.994 1.00 31.21 O ATOM 561 CB VAL A 42 -3.723 3.889 5.063 1.00 71.30 C ATOM 562 CG1 VAL A 42 -4.668 3.397 3.962 1.00 1.23 C ATOM 563 CG2 VAL A 42 -2.290 3.530 4.688 1.00 45.22 C ATOM 0 H VAL A 42 -3.184 5.362 7.292 1.00 13.45 H new ATOM 0 HA VAL A 42 -3.711 5.949 4.439 1.00 5.33 H new ATOM 0 HB VAL A 42 -3.976 3.385 5.996 1.00 71.30 H new ATOM 0 HG11 VAL A 42 -4.507 2.332 3.793 1.00 1.23 H new ATOM 0 HG12 VAL A 42 -5.701 3.564 4.268 1.00 1.23 H new ATOM 0 HG13 VAL A 42 -4.469 3.944 3.041 1.00 1.23 H new ATOM 0 HG21 VAL A 42 -2.222 2.460 4.493 1.00 45.22 H new ATOM 0 HG22 VAL A 42 -1.999 4.081 3.794 1.00 45.22 H new ATOM 0 HG23 VAL A 42 -1.623 3.792 5.509 1.00 45.22 H new ATOM 573 N CYS A 43 -6.168 6.185 5.034 1.00 53.12 N ATOM 574 CA CYS A 43 -7.574 6.324 5.368 1.00 64.13 C ATOM 575 C CYS A 43 -8.470 5.401 4.530 1.00 13.41 C ATOM 576 O CYS A 43 -9.522 4.984 5.012 1.00 45.04 O ATOM 577 CB CYS A 43 -7.921 7.798 5.222 1.00 63.13 C ATOM 578 SG CYS A 43 -9.351 8.180 6.258 1.00 72.14 S ATOM 0 H CYS A 43 -5.915 6.550 4.116 1.00 53.12 H new ATOM 0 HA CYS A 43 -7.758 6.004 6.394 1.00 64.13 H new ATOM 0 HB2 CYS A 43 -7.071 8.414 5.514 1.00 63.13 H new ATOM 0 HB3 CYS A 43 -8.140 8.030 4.180 1.00 63.13 H new ATOM 0 HG CYS A 43 -9.650 9.439 6.138 1.00 72.14 H new ATOM 583 N TYR A 44 -8.058 5.006 3.322 1.00 51.13 N ATOM 584 CA TYR A 44 -8.877 4.240 2.383 1.00 65.42 C ATOM 585 C TYR A 44 -8.246 2.867 2.149 1.00 50.14 C ATOM 586 O TYR A 44 -7.024 2.757 2.038 1.00 25.53 O ATOM 587 CB TYR A 44 -8.921 5.030 1.070 1.00 14.31 C ATOM 588 CG TYR A 44 -9.591 4.376 -0.129 1.00 4.24 C ATOM 589 CD1 TYR A 44 -8.919 3.346 -0.810 1.00 44.21 C ATOM 590 CD2 TYR A 44 -10.816 4.854 -0.636 1.00 72.42 C ATOM 591 CE1 TYR A 44 -9.457 2.764 -1.961 1.00 65.51 C ATOM 592 CE2 TYR A 44 -11.360 4.289 -1.808 1.00 54.31 C ATOM 593 CZ TYR A 44 -10.675 3.244 -2.474 1.00 51.14 C ATOM 594 OH TYR A 44 -11.120 2.737 -3.652 1.00 43.21 O ATOM 0 H TYR A 44 -7.126 5.215 2.964 1.00 51.13 H new ATOM 0 HA TYR A 44 -9.883 4.090 2.775 1.00 65.42 H new ATOM 0 HB2 TYR A 44 -9.430 5.974 1.264 1.00 14.31 H new ATOM 0 HB3 TYR A 44 -7.896 5.272 0.790 1.00 14.31 H new ATOM 0 HD1 TYR A 44 -7.968 2.997 -0.436 1.00 44.21 H new ATOM 0 HD2 TYR A 44 -11.337 5.652 -0.128 1.00 72.42 H new ATOM 0 HE1 TYR A 44 -8.941 1.952 -2.452 1.00 65.51 H new ATOM 0 HE2 TYR A 44 -12.299 4.653 -2.198 1.00 54.31 H new ATOM 0 HH TYR A 44 -11.973 3.157 -3.887 1.00 43.21 H new ATOM 603 N ALA A 45 -9.068 1.837 1.942 1.00 22.22 N ATOM 604 CA ALA A 45 -8.654 0.564 1.367 1.00 41.15 C ATOM 605 C ALA A 45 -9.770 0.063 0.442 1.00 64.13 C ATOM 606 O ALA A 45 -10.945 0.364 0.676 1.00 62.14 O ATOM 607 CB ALA A 45 -8.379 -0.432 2.507 1.00 71.25 C ATOM 0 H ALA A 45 -10.060 1.869 2.176 1.00 22.22 H new ATOM 0 HA ALA A 45 -7.740 0.674 0.783 1.00 41.15 H new ATOM 0 HB1 ALA A 45 -8.068 -1.389 2.087 1.00 71.25 H new ATOM 0 HB2 ALA A 45 -7.588 -0.043 3.147 1.00 71.25 H new ATOM 0 HB3 ALA A 45 -9.286 -0.571 3.095 1.00 71.25 H new ATOM 613 N ASP A 46 -9.430 -0.723 -0.583 1.00 25.51 N ATOM 614 CA ASP A 46 -10.375 -1.596 -1.282 1.00 1.33 C ATOM 615 C ASP A 46 -9.641 -2.844 -1.792 1.00 52.01 C ATOM 616 O ASP A 46 -8.480 -2.748 -2.185 1.00 42.11 O ATOM 617 CB ASP A 46 -11.079 -0.867 -2.433 1.00 24.54 C ATOM 618 CG ASP A 46 -12.553 -1.276 -2.457 1.00 5.20 C ATOM 619 OD1 ASP A 46 -12.863 -2.483 -2.367 1.00 74.51 O ATOM 620 OD2 ASP A 46 -13.426 -0.371 -2.421 1.00 53.45 O ATOM 0 H ASP A 46 -8.481 -0.771 -0.954 1.00 25.51 H new ATOM 0 HA ASP A 46 -11.149 -1.897 -0.577 1.00 1.33 H new ATOM 0 HB2 ASP A 46 -10.990 0.212 -2.305 1.00 24.54 H new ATOM 0 HB3 ASP A 46 -10.604 -1.116 -3.382 1.00 24.54 H new ATOM 624 N VAL A 47 -10.280 -4.013 -1.797 1.00 51.34 N ATOM 625 CA VAL A 47 -9.742 -5.272 -2.327 1.00 24.31 C ATOM 626 C VAL A 47 -10.939 -6.035 -2.875 1.00 73.22 C ATOM 627 O VAL A 47 -12.038 -5.985 -2.308 1.00 72.35 O ATOM 628 CB VAL A 47 -9.003 -6.103 -1.249 1.00 32.40 C ATOM 629 CG1 VAL A 47 -8.615 -7.523 -1.699 1.00 10.34 C ATOM 630 CG2 VAL A 47 -7.720 -5.439 -0.738 1.00 71.31 C ATOM 0 H VAL A 47 -11.222 -4.117 -1.419 1.00 51.34 H new ATOM 0 HA VAL A 47 -8.996 -5.073 -3.096 1.00 24.31 H new ATOM 0 HB VAL A 47 -9.746 -6.161 -0.454 1.00 32.40 H new ATOM 0 HG11 VAL A 47 -8.102 -8.035 -0.885 1.00 10.34 H new ATOM 0 HG12 VAL A 47 -9.514 -8.078 -1.968 1.00 10.34 H new ATOM 0 HG13 VAL A 47 -7.954 -7.463 -2.563 1.00 10.34 H new ATOM 0 HG21 VAL A 47 -7.255 -6.076 0.014 1.00 71.31 H new ATOM 0 HG22 VAL A 47 -7.029 -5.295 -1.569 1.00 71.31 H new ATOM 0 HG23 VAL A 47 -7.962 -4.473 -0.295 1.00 71.31 H new ATOM 640 N TYR A 48 -10.722 -6.762 -3.961 1.00 33.10 N ATOM 641 CA TYR A 48 -11.758 -7.415 -4.734 1.00 73.34 C ATOM 642 C TYR A 48 -11.288 -8.806 -5.133 1.00 64.45 C ATOM 643 O TYR A 48 -10.196 -9.251 -4.766 1.00 32.33 O ATOM 644 CB TYR A 48 -12.127 -6.525 -5.930 1.00 61.45 C ATOM 645 CG TYR A 48 -10.971 -5.809 -6.605 1.00 24.30 C ATOM 646 CD1 TYR A 48 -10.570 -4.551 -6.111 1.00 24.43 C ATOM 647 CD2 TYR A 48 -10.327 -6.366 -7.726 1.00 54.21 C ATOM 648 CE1 TYR A 48 -9.533 -3.841 -6.730 1.00 42.23 C ATOM 649 CE2 TYR A 48 -9.302 -5.642 -8.367 1.00 62.42 C ATOM 650 CZ TYR A 48 -8.898 -4.383 -7.868 1.00 12.01 C ATOM 651 OH TYR A 48 -7.954 -3.648 -8.518 1.00 11.34 O ATOM 0 H TYR A 48 -9.787 -6.916 -4.338 1.00 33.10 H new ATOM 0 HA TYR A 48 -12.666 -7.550 -4.146 1.00 73.34 H new ATOM 0 HB2 TYR A 48 -12.632 -7.141 -6.674 1.00 61.45 H new ATOM 0 HB3 TYR A 48 -12.846 -5.778 -5.594 1.00 61.45 H new ATOM 0 HD1 TYR A 48 -11.066 -4.131 -5.248 1.00 24.43 H new ATOM 0 HD2 TYR A 48 -10.616 -7.340 -8.092 1.00 54.21 H new ATOM 0 HE1 TYR A 48 -9.221 -2.884 -6.338 1.00 42.23 H new ATOM 0 HE2 TYR A 48 -8.823 -6.051 -9.244 1.00 62.42 H new ATOM 0 HH TYR A 48 -7.332 -4.249 -8.980 1.00 11.34 H new ATOM 660 N ARG A 49 -12.142 -9.548 -5.831 1.00 32.40 N ATOM 661 CA ARG A 49 -11.884 -10.923 -6.225 1.00 44.24 C ATOM 662 C ARG A 49 -11.184 -10.907 -7.580 1.00 45.12 C ATOM 663 O ARG A 49 -11.766 -11.308 -8.588 1.00 12.02 O ATOM 664 CB ARG A 49 -13.192 -11.726 -6.239 1.00 5.01 C ATOM 665 CG ARG A 49 -13.892 -11.860 -4.880 1.00 34.12 C ATOM 666 CD ARG A 49 -14.607 -10.587 -4.396 1.00 64.43 C ATOM 667 NE ARG A 49 -15.678 -10.913 -3.451 1.00 4.02 N ATOM 668 CZ ARG A 49 -15.553 -11.224 -2.160 1.00 3.41 C ATOM 669 NH1 ARG A 49 -14.469 -10.938 -1.450 1.00 52.22 N ATOM 670 NH2 ARG A 49 -16.555 -11.863 -1.581 1.00 51.11 N ATOM 0 H ARG A 49 -13.049 -9.201 -6.143 1.00 32.40 H new ATOM 0 HA ARG A 49 -11.230 -11.419 -5.508 1.00 44.24 H new ATOM 0 HB2 ARG A 49 -13.881 -11.255 -6.940 1.00 5.01 H new ATOM 0 HB3 ARG A 49 -12.982 -12.725 -6.621 1.00 5.01 H new ATOM 0 HG2 ARG A 49 -14.620 -12.669 -4.940 1.00 34.12 H new ATOM 0 HG3 ARG A 49 -13.153 -12.151 -4.133 1.00 34.12 H new ATOM 0 HD2 ARG A 49 -13.888 -9.920 -3.920 1.00 64.43 H new ATOM 0 HD3 ARG A 49 -15.021 -10.051 -5.250 1.00 64.43 H new ATOM 0 HE ARG A 49 -16.628 -10.901 -3.823 1.00 4.02 H new ATOM 0 HH11 ARG A 49 -13.683 -10.459 -1.890 1.00 52.22 H new ATOM 0 HH12 ARG A 49 -14.422 -11.197 -0.465 1.00 52.22 H new ATOM 0 HH21 ARG A 49 -17.387 -12.101 -2.120 1.00 51.11 H new ATOM 0 HH22 ARG A 49 -16.496 -12.118 -0.595 1.00 51.11 H new ATOM 681 N ASP A 50 -9.958 -10.387 -7.610 1.00 32.33 N ATOM 682 CA ASP A 50 -9.088 -10.428 -8.788 1.00 14.50 C ATOM 683 C ASP A 50 -7.615 -10.426 -8.365 1.00 24.44 C ATOM 684 O ASP A 50 -6.777 -9.798 -9.010 1.00 33.10 O ATOM 685 CB ASP A 50 -9.386 -9.274 -9.756 1.00 24.13 C ATOM 686 CG ASP A 50 -8.765 -9.477 -11.142 1.00 63.42 C ATOM 687 OD1 ASP A 50 -8.679 -10.629 -11.626 1.00 54.52 O ATOM 688 OD2 ASP A 50 -8.483 -8.467 -11.823 1.00 25.22 O ATOM 0 H ASP A 50 -9.534 -9.920 -6.808 1.00 32.33 H new ATOM 0 HA ASP A 50 -9.294 -11.356 -9.322 1.00 14.50 H new ATOM 0 HB2 ASP A 50 -10.465 -9.165 -9.860 1.00 24.13 H new ATOM 0 HB3 ASP A 50 -9.011 -8.344 -9.329 1.00 24.13 H new ATOM 692 N GLY A 51 -7.295 -11.016 -7.206 1.00 5.31 N ATOM 693 CA GLY A 51 -5.927 -11.116 -6.707 1.00 44.31 C ATOM 694 C GLY A 51 -5.242 -9.759 -6.518 1.00 61.45 C ATOM 695 O GLY A 51 -4.011 -9.694 -6.489 1.00 53.22 O ATOM 0 H GLY A 51 -7.987 -11.439 -6.587 1.00 5.31 H new ATOM 0 HA2 GLY A 51 -5.935 -11.646 -5.754 1.00 44.31 H new ATOM 0 HA3 GLY A 51 -5.339 -11.717 -7.401 1.00 44.31 H new ATOM 699 N THR A 52 -5.989 -8.659 -6.438 1.00 4.24 N ATOM 700 CA THR A 52 -5.464 -7.303 -6.472 1.00 21.00 C ATOM 701 C THR A 52 -6.324 -6.376 -5.591 1.00 44.33 C ATOM 702 O THR A 52 -7.360 -6.801 -5.065 1.00 32.41 O ATOM 703 CB THR A 52 -5.318 -6.844 -7.936 1.00 43.54 C ATOM 704 OG1 THR A 52 -6.486 -7.040 -8.706 1.00 45.45 O ATOM 705 CG2 THR A 52 -4.216 -7.565 -8.722 1.00 14.22 C ATOM 0 H THR A 52 -7.004 -8.692 -6.345 1.00 4.24 H new ATOM 0 HA THR A 52 -4.464 -7.263 -6.041 1.00 21.00 H new ATOM 0 HB THR A 52 -5.081 -5.787 -7.811 1.00 43.54 H new ATOM 0 HG1 THR A 52 -6.622 -7.999 -8.856 1.00 45.45 H new ATOM 0 HG21 THR A 52 -4.184 -7.179 -9.741 1.00 14.22 H new ATOM 0 HG22 THR A 52 -3.254 -7.394 -8.239 1.00 14.22 H new ATOM 0 HG23 THR A 52 -4.426 -8.634 -8.745 1.00 14.22 H new ATOM 713 N GLY A 53 -5.855 -5.147 -5.360 1.00 23.22 N ATOM 714 CA GLY A 53 -6.419 -4.209 -4.403 1.00 5.43 C ATOM 715 C GLY A 53 -5.974 -2.784 -4.726 1.00 72.23 C ATOM 716 O GLY A 53 -4.997 -2.604 -5.450 1.00 4.20 O ATOM 0 H GLY A 53 -5.045 -4.771 -5.854 1.00 23.22 H new ATOM 0 HA2 GLY A 53 -7.507 -4.270 -4.423 1.00 5.43 H new ATOM 0 HA3 GLY A 53 -6.103 -4.475 -3.394 1.00 5.43 H new ATOM 720 N VAL A 54 -6.637 -1.771 -4.169 1.00 62.25 N ATOM 721 CA VAL A 54 -6.253 -0.363 -4.239 1.00 42.34 C ATOM 722 C VAL A 54 -6.301 0.237 -2.834 1.00 62.13 C ATOM 723 O VAL A 54 -6.973 -0.291 -1.945 1.00 70.15 O ATOM 724 CB VAL A 54 -7.128 0.350 -5.282 1.00 4.40 C ATOM 725 CG1 VAL A 54 -7.124 1.884 -5.240 1.00 43.12 C ATOM 726 CG2 VAL A 54 -6.792 -0.086 -6.710 1.00 64.51 C ATOM 0 H VAL A 54 -7.493 -1.916 -3.634 1.00 62.25 H new ATOM 0 HA VAL A 54 -5.226 -0.236 -4.582 1.00 42.34 H new ATOM 0 HB VAL A 54 -8.130 0.032 -4.994 1.00 4.40 H new ATOM 0 HG11 VAL A 54 -7.777 2.271 -6.022 1.00 43.12 H new ATOM 0 HG12 VAL A 54 -7.482 2.222 -4.268 1.00 43.12 H new ATOM 0 HG13 VAL A 54 -6.110 2.250 -5.400 1.00 43.12 H new ATOM 0 HG21 VAL A 54 -7.435 0.444 -7.413 1.00 64.51 H new ATOM 0 HG22 VAL A 54 -5.749 0.147 -6.926 1.00 64.51 H new ATOM 0 HG23 VAL A 54 -6.952 -1.160 -6.810 1.00 64.51 H new ATOM 736 N VAL A 55 -5.549 1.309 -2.601 1.00 50.34 N ATOM 737 CA VAL A 55 -5.396 1.951 -1.303 1.00 24.52 C ATOM 738 C VAL A 55 -5.213 3.451 -1.561 1.00 14.20 C ATOM 739 O VAL A 55 -4.839 3.852 -2.666 1.00 62.42 O ATOM 740 CB VAL A 55 -4.217 1.282 -0.567 1.00 13.43 C ATOM 741 CG1 VAL A 55 -3.738 2.027 0.684 1.00 51.20 C ATOM 742 CG2 VAL A 55 -4.561 -0.128 -0.109 1.00 61.22 C ATOM 0 H VAL A 55 -5.012 1.769 -3.337 1.00 50.34 H new ATOM 0 HA VAL A 55 -6.264 1.835 -0.654 1.00 24.52 H new ATOM 0 HB VAL A 55 -3.424 1.290 -1.315 1.00 13.43 H new ATOM 0 HG11 VAL A 55 -2.908 1.484 1.135 1.00 51.20 H new ATOM 0 HG12 VAL A 55 -3.409 3.029 0.407 1.00 51.20 H new ATOM 0 HG13 VAL A 55 -4.556 2.099 1.400 1.00 51.20 H new ATOM 0 HG21 VAL A 55 -3.704 -0.563 0.405 1.00 61.22 H new ATOM 0 HG22 VAL A 55 -5.412 -0.092 0.571 1.00 61.22 H new ATOM 0 HG23 VAL A 55 -4.814 -0.740 -0.975 1.00 61.22 H new ATOM 752 N GLU A 56 -5.490 4.290 -0.559 1.00 25.52 N ATOM 753 CA GLU A 56 -5.379 5.732 -0.696 1.00 14.15 C ATOM 754 C GLU A 56 -4.900 6.305 0.635 1.00 10.32 C ATOM 755 O GLU A 56 -5.576 6.183 1.662 1.00 50.42 O ATOM 756 CB GLU A 56 -6.719 6.319 -1.183 1.00 44.34 C ATOM 757 CG GLU A 56 -6.552 7.249 -2.374 1.00 34.34 C ATOM 758 CD GLU A 56 -7.783 7.214 -3.281 1.00 2.41 C ATOM 759 OE1 GLU A 56 -8.010 6.213 -4.000 1.00 5.20 O ATOM 760 OE2 GLU A 56 -8.518 8.227 -3.335 1.00 24.55 O ATOM 0 H GLU A 56 -5.796 3.983 0.364 1.00 25.52 H new ATOM 0 HA GLU A 56 -4.644 6.007 -1.453 1.00 14.15 H new ATOM 0 HB2 GLU A 56 -7.391 5.505 -1.454 1.00 44.34 H new ATOM 0 HB3 GLU A 56 -7.192 6.863 -0.365 1.00 44.34 H new ATOM 0 HG2 GLU A 56 -6.385 8.267 -2.023 1.00 34.34 H new ATOM 0 HG3 GLU A 56 -5.669 6.959 -2.944 1.00 34.34 H new ATOM 765 N PHE A 57 -3.694 6.865 0.607 1.00 43.24 N ATOM 766 CA PHE A 57 -2.995 7.532 1.694 1.00 44.24 C ATOM 767 C PHE A 57 -3.289 9.022 1.596 1.00 31.53 C ATOM 768 O PHE A 57 -3.914 9.494 0.640 1.00 54.11 O ATOM 769 CB PHE A 57 -1.467 7.336 1.556 1.00 41.43 C ATOM 770 CG PHE A 57 -0.854 5.998 1.926 1.00 71.50 C ATOM 771 CD1 PHE A 57 -1.364 4.792 1.432 1.00 65.22 C ATOM 772 CD2 PHE A 57 0.308 5.971 2.711 1.00 5.32 C ATOM 773 CE1 PHE A 57 -0.695 3.579 1.683 1.00 33.15 C ATOM 774 CE2 PHE A 57 0.975 4.765 2.985 1.00 21.14 C ATOM 775 CZ PHE A 57 0.473 3.561 2.462 1.00 54.30 C ATOM 0 H PHE A 57 -3.138 6.862 -0.248 1.00 43.24 H new ATOM 0 HA PHE A 57 -3.327 7.116 2.645 1.00 44.24 H new ATOM 0 HB2 PHE A 57 -1.203 7.542 0.519 1.00 41.43 H new ATOM 0 HB3 PHE A 57 -0.982 8.098 2.166 1.00 41.43 H new ATOM 0 HD1 PHE A 57 -2.277 4.792 0.855 1.00 65.22 H new ATOM 0 HD2 PHE A 57 0.698 6.895 3.113 1.00 5.32 H new ATOM 0 HE1 PHE A 57 -1.082 2.657 1.274 1.00 33.15 H new ATOM 0 HE2 PHE A 57 1.867 4.763 3.593 1.00 21.14 H new ATOM 0 HZ PHE A 57 0.982 2.629 2.658 1.00 54.30 H new ATOM 784 N VAL A 58 -2.811 9.766 2.583 1.00 43.01 N ATOM 785 CA VAL A 58 -3.025 11.198 2.651 1.00 25.24 C ATOM 786 C VAL A 58 -2.029 11.944 1.772 1.00 41.32 C ATOM 787 O VAL A 58 -2.468 12.834 1.039 1.00 23.34 O ATOM 788 CB VAL A 58 -3.012 11.700 4.105 1.00 5.11 C ATOM 789 CG1 VAL A 58 -3.182 13.220 4.117 1.00 53.21 C ATOM 790 CG2 VAL A 58 -4.152 11.059 4.904 1.00 50.00 C ATOM 0 H VAL A 58 -2.264 9.390 3.358 1.00 43.01 H new ATOM 0 HA VAL A 58 -4.019 11.409 2.257 1.00 25.24 H new ATOM 0 HB VAL A 58 -2.062 11.426 4.563 1.00 5.11 H new ATOM 0 HG11 VAL A 58 -3.173 13.579 5.146 1.00 53.21 H new ATOM 0 HG12 VAL A 58 -2.364 13.682 3.565 1.00 53.21 H new ATOM 0 HG13 VAL A 58 -4.130 13.484 3.649 1.00 53.21 H new ATOM 0 HG21 VAL A 58 -4.128 11.425 5.930 1.00 50.00 H new ATOM 0 HG22 VAL A 58 -5.107 11.320 4.448 1.00 50.00 H new ATOM 0 HG23 VAL A 58 -4.033 9.976 4.903 1.00 50.00 H new ATOM 800 N ARG A 59 -0.714 11.671 1.848 1.00 62.30 N ATOM 801 CA ARG A 59 0.258 12.550 1.212 1.00 64.31 C ATOM 802 C ARG A 59 1.327 11.742 0.499 1.00 21.53 C ATOM 803 O ARG A 59 1.532 10.561 0.791 1.00 31.54 O ATOM 804 CB ARG A 59 0.788 13.492 2.311 1.00 74.42 C ATOM 805 CG ARG A 59 1.578 14.703 1.795 1.00 44.41 C ATOM 806 CD ARG A 59 1.492 15.931 2.718 1.00 10.01 C ATOM 807 NE ARG A 59 0.108 16.428 2.801 1.00 50.11 N ATOM 808 CZ ARG A 59 -0.392 17.349 3.630 1.00 73.42 C ATOM 809 NH1 ARG A 59 0.379 18.104 4.404 1.00 44.02 N ATOM 810 NH2 ARG A 59 -1.705 17.494 3.682 1.00 30.21 N ATOM 0 H ARG A 59 -0.316 10.867 2.333 1.00 62.30 H new ATOM 0 HA ARG A 59 -0.184 13.159 0.423 1.00 64.31 H new ATOM 0 HB2 ARG A 59 -0.056 13.851 2.900 1.00 74.42 H new ATOM 0 HB3 ARG A 59 1.426 12.919 2.984 1.00 74.42 H new ATOM 0 HG2 ARG A 59 2.624 14.420 1.676 1.00 44.41 H new ATOM 0 HG3 ARG A 59 1.207 14.975 0.807 1.00 44.41 H new ATOM 0 HD2 ARG A 59 1.849 15.669 3.714 1.00 10.01 H new ATOM 0 HD3 ARG A 59 2.144 16.720 2.343 1.00 10.01 H new ATOM 0 HE ARG A 59 -0.553 16.017 2.142 1.00 50.11 H new ATOM 0 HH11 ARG A 59 1.392 17.992 4.379 1.00 44.02 H new ATOM 0 HH12 ARG A 59 -0.042 18.796 5.023 1.00 44.02 H new ATOM 0 HH21 ARG A 59 -2.306 16.911 3.099 1.00 30.21 H new ATOM 0 HH22 ARG A 59 -2.117 18.189 4.305 1.00 30.21 H new ATOM 821 N LYS A 60 1.990 12.371 -0.477 1.00 24.55 N ATOM 822 CA LYS A 60 2.902 11.677 -1.377 1.00 43.21 C ATOM 823 C LYS A 60 4.069 11.089 -0.622 1.00 2.12 C ATOM 824 O LYS A 60 4.648 10.127 -1.107 1.00 53.20 O ATOM 825 CB LYS A 60 3.398 12.633 -2.478 1.00 24.44 C ATOM 826 CG LYS A 60 4.271 11.881 -3.493 1.00 11.21 C ATOM 827 CD LYS A 60 4.233 12.489 -4.892 1.00 21.42 C ATOM 828 CE LYS A 60 4.688 11.428 -5.893 1.00 22.11 C ATOM 829 NZ LYS A 60 4.372 11.807 -7.282 1.00 25.42 N ATOM 0 H LYS A 60 1.907 13.371 -0.661 1.00 24.55 H new ATOM 0 HA LYS A 60 2.358 10.857 -1.844 1.00 43.21 H new ATOM 0 HB2 LYS A 60 2.546 13.084 -2.987 1.00 24.44 H new ATOM 0 HB3 LYS A 60 3.969 13.446 -2.031 1.00 24.44 H new ATOM 0 HG2 LYS A 60 5.301 11.870 -3.137 1.00 11.21 H new ATOM 0 HG3 LYS A 60 3.941 10.843 -3.547 1.00 11.21 H new ATOM 0 HD2 LYS A 60 3.225 12.828 -5.131 1.00 21.42 H new ATOM 0 HD3 LYS A 60 4.883 13.362 -4.944 1.00 21.42 H new ATOM 0 HE2 LYS A 60 5.763 11.274 -5.795 1.00 22.11 H new ATOM 0 HE3 LYS A 60 4.207 10.478 -5.658 1.00 22.11 H new ATOM 0 HZ1 LYS A 60 4.994 11.288 -7.934 1.00 25.42 H new ATOM 0 HZ2 LYS A 60 3.380 11.572 -7.489 1.00 25.42 H new ATOM 0 HZ3 LYS A 60 4.518 12.829 -7.405 1.00 25.42 H new ATOM 839 N GLU A 61 4.440 11.637 0.521 1.00 72.11 N ATOM 840 CA GLU A 61 5.622 11.195 1.224 1.00 73.11 C ATOM 841 C GLU A 61 5.375 9.879 1.948 1.00 4.32 C ATOM 842 O GLU A 61 6.208 8.983 1.834 1.00 63.13 O ATOM 843 CB GLU A 61 6.064 12.340 2.127 1.00 64.41 C ATOM 844 CG GLU A 61 6.757 13.359 1.206 1.00 42.01 C ATOM 845 CD GLU A 61 7.581 14.378 1.968 1.00 31.15 C ATOM 846 OE1 GLU A 61 6.980 15.183 2.710 1.00 22.13 O ATOM 847 OE2 GLU A 61 8.821 14.386 1.791 1.00 14.13 O ATOM 0 H GLU A 61 3.934 12.393 0.981 1.00 72.11 H new ATOM 0 HA GLU A 61 6.437 10.967 0.537 1.00 73.11 H new ATOM 0 HB2 GLU A 61 5.210 12.789 2.634 1.00 64.41 H new ATOM 0 HB3 GLU A 61 6.745 11.987 2.901 1.00 64.41 H new ATOM 0 HG2 GLU A 61 7.402 12.828 0.506 1.00 42.01 H new ATOM 0 HG3 GLU A 61 6.003 13.878 0.614 1.00 42.01 H new ATOM 852 N ASP A 62 4.232 9.709 2.610 1.00 32.55 N ATOM 853 CA ASP A 62 3.856 8.416 3.199 1.00 64.52 C ATOM 854 C ASP A 62 3.583 7.416 2.077 1.00 22.53 C ATOM 855 O ASP A 62 4.064 6.286 2.106 1.00 50.01 O ATOM 856 CB ASP A 62 2.591 8.518 4.054 1.00 64.31 C ATOM 857 CG ASP A 62 2.714 9.277 5.360 1.00 3.15 C ATOM 858 OD1 ASP A 62 3.795 9.837 5.665 1.00 42.40 O ATOM 859 OD2 ASP A 62 1.672 9.393 6.048 1.00 42.34 O ATOM 0 H ASP A 62 3.546 10.450 2.755 1.00 32.55 H new ATOM 0 HA ASP A 62 4.682 8.095 3.834 1.00 64.52 H new ATOM 0 HB2 ASP A 62 1.813 8.993 3.456 1.00 64.31 H new ATOM 0 HB3 ASP A 62 2.249 7.508 4.278 1.00 64.31 H new ATOM 863 N MET A 63 2.849 7.850 1.045 1.00 33.43 N ATOM 864 CA MET A 63 2.622 7.056 -0.154 1.00 22.25 C ATOM 865 C MET A 63 3.947 6.521 -0.717 1.00 25.44 C ATOM 866 O MET A 63 4.075 5.316 -0.937 1.00 0.03 O ATOM 867 CB MET A 63 1.834 7.906 -1.158 1.00 3.14 C ATOM 868 CG MET A 63 1.431 7.075 -2.365 1.00 24.55 C ATOM 869 SD MET A 63 2.675 6.921 -3.665 1.00 1.22 S ATOM 870 CE MET A 63 2.416 8.512 -4.465 1.00 21.35 C ATOM 0 H MET A 63 2.398 8.765 1.024 1.00 33.43 H new ATOM 0 HA MET A 63 2.028 6.172 0.079 1.00 22.25 H new ATOM 0 HB2 MET A 63 0.945 8.314 -0.678 1.00 3.14 H new ATOM 0 HB3 MET A 63 2.440 8.753 -1.479 1.00 3.14 H new ATOM 0 HG2 MET A 63 1.166 6.075 -2.022 1.00 24.55 H new ATOM 0 HG3 MET A 63 0.532 7.512 -2.799 1.00 24.55 H new ATOM 0 HE1 MET A 63 3.191 8.673 -5.214 1.00 21.35 H new ATOM 0 HE2 MET A 63 1.438 8.522 -4.946 1.00 21.35 H new ATOM 0 HE3 MET A 63 2.462 9.306 -3.719 1.00 21.35 H new ATOM 878 N THR A 64 4.933 7.401 -0.905 1.00 72.14 N ATOM 879 CA THR A 64 6.290 7.017 -1.283 1.00 74.51 C ATOM 880 C THR A 64 6.868 6.028 -0.263 1.00 34.34 C ATOM 881 O THR A 64 7.332 4.968 -0.668 1.00 41.50 O ATOM 882 CB THR A 64 7.201 8.249 -1.451 1.00 11.11 C ATOM 883 OG1 THR A 64 6.684 9.139 -2.421 1.00 34.15 O ATOM 884 CG2 THR A 64 8.621 7.882 -1.894 1.00 12.15 C ATOM 0 H THR A 64 4.808 8.408 -0.798 1.00 72.14 H new ATOM 0 HA THR A 64 6.244 6.520 -2.252 1.00 74.51 H new ATOM 0 HB THR A 64 7.235 8.715 -0.466 1.00 11.11 H new ATOM 0 HG1 THR A 64 6.093 9.789 -1.987 1.00 34.15 H new ATOM 0 HG21 THR A 64 9.216 8.789 -1.996 1.00 12.15 H new ATOM 0 HG22 THR A 64 9.077 7.230 -1.149 1.00 12.15 H new ATOM 0 HG23 THR A 64 8.581 7.365 -2.853 1.00 12.15 H new ATOM 892 N TYR A 65 6.854 6.344 1.037 1.00 1.42 N ATOM 893 CA TYR A 65 7.466 5.555 2.112 1.00 11.52 C ATOM 894 C TYR A 65 7.057 4.085 2.019 1.00 32.21 C ATOM 895 O TYR A 65 7.889 3.195 2.178 1.00 72.40 O ATOM 896 CB TYR A 65 7.073 6.163 3.474 1.00 1.13 C ATOM 897 CG TYR A 65 7.705 5.559 4.714 1.00 24.23 C ATOM 898 CD1 TYR A 65 7.246 4.325 5.213 1.00 33.51 C ATOM 899 CD2 TYR A 65 8.674 6.279 5.438 1.00 24.21 C ATOM 900 CE1 TYR A 65 7.764 3.797 6.406 1.00 52.20 C ATOM 901 CE2 TYR A 65 9.203 5.754 6.631 1.00 64.34 C ATOM 902 CZ TYR A 65 8.755 4.504 7.116 1.00 21.23 C ATOM 903 OH TYR A 65 9.251 3.979 8.264 1.00 41.13 O ATOM 0 H TYR A 65 6.399 7.189 1.382 1.00 1.42 H new ATOM 0 HA TYR A 65 8.551 5.589 2.009 1.00 11.52 H new ATOM 0 HB2 TYR A 65 7.319 7.225 3.453 1.00 1.13 H new ATOM 0 HB3 TYR A 65 5.990 6.089 3.577 1.00 1.13 H new ATOM 0 HD1 TYR A 65 6.487 3.779 4.672 1.00 33.51 H new ATOM 0 HD2 TYR A 65 9.013 7.238 5.076 1.00 24.21 H new ATOM 0 HE1 TYR A 65 7.403 2.850 6.779 1.00 52.20 H new ATOM 0 HE2 TYR A 65 9.953 6.307 7.177 1.00 64.34 H new ATOM 0 HH TYR A 65 9.927 4.584 8.635 1.00 41.13 H new ATOM 912 N ALA A 66 5.790 3.830 1.710 1.00 24.12 N ATOM 913 CA ALA A 66 5.209 2.501 1.590 1.00 13.44 C ATOM 914 C ALA A 66 5.899 1.691 0.490 1.00 40.50 C ATOM 915 O ALA A 66 6.222 0.527 0.708 1.00 52.50 O ATOM 916 CB ALA A 66 3.719 2.649 1.320 1.00 20.32 C ATOM 0 H ALA A 66 5.115 4.573 1.530 1.00 24.12 H new ATOM 0 HA ALA A 66 5.357 1.951 2.520 1.00 13.44 H new ATOM 0 HB1 ALA A 66 3.266 1.662 1.227 1.00 20.32 H new ATOM 0 HB2 ALA A 66 3.251 3.186 2.145 1.00 20.32 H new ATOM 0 HB3 ALA A 66 3.570 3.205 0.394 1.00 20.32 H new ATOM 922 N VAL A 67 6.229 2.303 -0.650 1.00 55.30 N ATOM 923 CA VAL A 67 6.982 1.650 -1.726 1.00 52.32 C ATOM 924 C VAL A 67 8.343 1.161 -1.203 1.00 73.23 C ATOM 925 O VAL A 67 8.912 0.210 -1.746 1.00 22.01 O ATOM 926 CB VAL A 67 7.132 2.635 -2.915 1.00 44.14 C ATOM 927 CG1 VAL A 67 7.840 2.045 -4.138 1.00 75.12 C ATOM 928 CG2 VAL A 67 5.763 3.113 -3.415 1.00 3.42 C ATOM 0 H VAL A 67 5.980 3.271 -0.855 1.00 55.30 H new ATOM 0 HA VAL A 67 6.442 0.772 -2.080 1.00 52.32 H new ATOM 0 HB VAL A 67 7.735 3.446 -2.505 1.00 44.14 H new ATOM 0 HG11 VAL A 67 7.902 2.800 -4.922 1.00 75.12 H new ATOM 0 HG12 VAL A 67 8.845 1.728 -3.859 1.00 75.12 H new ATOM 0 HG13 VAL A 67 7.277 1.187 -4.505 1.00 75.12 H new ATOM 0 HG21 VAL A 67 5.900 3.802 -4.248 1.00 3.42 H new ATOM 0 HG22 VAL A 67 5.177 2.256 -3.746 1.00 3.42 H new ATOM 0 HG23 VAL A 67 5.238 3.622 -2.607 1.00 3.42 H new ATOM 938 N ARG A 68 8.870 1.795 -0.151 1.00 63.30 N ATOM 939 CA ARG A 68 10.241 1.647 0.325 1.00 23.45 C ATOM 940 C ARG A 68 10.309 0.842 1.620 1.00 42.43 C ATOM 941 O ARG A 68 11.412 0.475 2.029 1.00 71.33 O ATOM 942 CB ARG A 68 10.876 3.040 0.510 1.00 15.45 C ATOM 943 CG ARG A 68 10.583 3.981 -0.675 1.00 2.23 C ATOM 944 CD ARG A 68 11.604 5.120 -0.849 1.00 34.45 C ATOM 945 NE ARG A 68 11.909 5.387 -2.274 1.00 21.15 N ATOM 946 CZ ARG A 68 12.500 4.519 -3.112 1.00 54.33 C ATOM 947 NH1 ARG A 68 13.014 3.391 -2.633 1.00 2.13 N ATOM 948 NH2 ARG A 68 12.552 4.767 -4.417 1.00 35.35 N ATOM 0 H ARG A 68 8.328 2.451 0.412 1.00 63.30 H new ATOM 0 HA ARG A 68 10.805 1.090 -0.424 1.00 23.45 H new ATOM 0 HB2 ARG A 68 10.499 3.489 1.429 1.00 15.45 H new ATOM 0 HB3 ARG A 68 11.954 2.932 0.627 1.00 15.45 H new ATOM 0 HG2 ARG A 68 10.553 3.393 -1.592 1.00 2.23 H new ATOM 0 HG3 ARG A 68 9.592 4.415 -0.543 1.00 2.23 H new ATOM 0 HD2 ARG A 68 11.216 6.027 -0.386 1.00 34.45 H new ATOM 0 HD3 ARG A 68 12.524 4.864 -0.324 1.00 34.45 H new ATOM 0 HE ARG A 68 11.650 6.300 -2.648 1.00 21.15 H new ATOM 0 HH11 ARG A 68 12.958 3.189 -1.635 1.00 2.13 H new ATOM 0 HH12 ARG A 68 13.464 2.728 -3.264 1.00 2.13 H new ATOM 0 HH21 ARG A 68 12.141 5.623 -4.790 1.00 35.35 H new ATOM 0 HH22 ARG A 68 13.003 4.102 -5.045 1.00 35.35 H new ATOM 959 N LYS A 69 9.177 0.550 2.264 1.00 35.35 N ATOM 960 CA LYS A 69 9.111 -0.111 3.568 1.00 61.21 C ATOM 961 C LYS A 69 8.062 -1.204 3.642 1.00 71.01 C ATOM 962 O LYS A 69 8.180 -2.036 4.533 1.00 41.24 O ATOM 963 CB LYS A 69 8.813 0.934 4.659 1.00 21.04 C ATOM 964 CG LYS A 69 10.098 1.540 5.233 1.00 53.10 C ATOM 965 CD LYS A 69 10.492 0.940 6.587 1.00 14.42 C ATOM 966 CE LYS A 69 10.883 -0.548 6.574 1.00 1.24 C ATOM 967 NZ LYS A 69 9.766 -1.458 6.922 1.00 22.45 N ATOM 0 H LYS A 69 8.258 0.773 1.883 1.00 35.35 H new ATOM 0 HA LYS A 69 10.081 -0.584 3.722 1.00 61.21 H new ATOM 0 HB2 LYS A 69 8.192 1.727 4.243 1.00 21.04 H new ATOM 0 HB3 LYS A 69 8.241 0.469 5.461 1.00 21.04 H new ATOM 0 HG2 LYS A 69 10.912 1.389 4.524 1.00 53.10 H new ATOM 0 HG3 LYS A 69 9.967 2.617 5.343 1.00 53.10 H new ATOM 0 HD2 LYS A 69 11.329 1.512 6.986 1.00 14.42 H new ATOM 0 HD3 LYS A 69 9.658 1.071 7.277 1.00 14.42 H new ATOM 0 HE2 LYS A 69 11.257 -0.808 5.584 1.00 1.24 H new ATOM 0 HE3 LYS A 69 11.702 -0.706 7.276 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 10.148 -2.346 7.304 1.00 22.45 H new ATOM 0 HZ2 LYS A 69 9.160 -1.006 7.636 1.00 22.45 H new ATOM 0 HZ3 LYS A 69 9.205 -1.661 6.070 1.00 22.45 H new ATOM 977 N LEU A 70 7.067 -1.204 2.757 1.00 63.02 N ATOM 978 CA LEU A 70 5.822 -1.961 2.868 1.00 72.20 C ATOM 979 C LEU A 70 5.655 -2.864 1.643 1.00 13.35 C ATOM 980 O LEU A 70 4.549 -3.291 1.321 1.00 42.41 O ATOM 981 CB LEU A 70 4.660 -0.949 3.015 1.00 54.51 C ATOM 982 CG LEU A 70 3.461 -1.324 3.902 1.00 41.12 C ATOM 983 CD1 LEU A 70 2.592 -2.466 3.370 1.00 74.42 C ATOM 984 CD2 LEU A 70 3.893 -1.646 5.331 1.00 61.20 C ATOM 0 H LEU A 70 7.109 -0.649 1.902 1.00 63.02 H new ATOM 0 HA LEU A 70 5.831 -2.612 3.742 1.00 72.20 H new ATOM 0 HB2 LEU A 70 5.078 -0.019 3.401 1.00 54.51 H new ATOM 0 HB3 LEU A 70 4.279 -0.737 2.016 1.00 54.51 H new ATOM 0 HG LEU A 70 2.840 -0.428 3.888 1.00 41.12 H new ATOM 0 HD11 LEU A 70 1.774 -2.655 4.065 1.00 74.42 H new ATOM 0 HD12 LEU A 70 2.185 -2.191 2.397 1.00 74.42 H new ATOM 0 HD13 LEU A 70 3.197 -3.367 3.268 1.00 74.42 H new ATOM 0 HD21 LEU A 70 3.017 -1.906 5.926 1.00 61.20 H new ATOM 0 HD22 LEU A 70 4.587 -2.486 5.321 1.00 61.20 H new ATOM 0 HD23 LEU A 70 4.383 -0.776 5.768 1.00 61.20 H new ATOM 995 N ASP A 71 6.736 -3.137 0.909 1.00 24.13 N ATOM 996 CA ASP A 71 6.678 -3.920 -0.321 1.00 73.32 C ATOM 997 C ASP A 71 7.199 -5.346 -0.116 1.00 32.32 C ATOM 998 O ASP A 71 7.938 -5.614 0.836 1.00 60.21 O ATOM 999 CB ASP A 71 7.394 -3.157 -1.436 1.00 33.23 C ATOM 1000 CG ASP A 71 7.298 -3.845 -2.797 1.00 51.20 C ATOM 1001 OD1 ASP A 71 6.245 -4.421 -3.145 1.00 33.25 O ATOM 1002 OD2 ASP A 71 8.273 -3.709 -3.572 1.00 32.04 O ATOM 0 H ASP A 71 7.674 -2.820 1.153 1.00 24.13 H new ATOM 0 HA ASP A 71 5.639 -4.048 -0.624 1.00 73.32 H new ATOM 0 HB2 ASP A 71 6.970 -2.156 -1.512 1.00 33.23 H new ATOM 0 HB3 ASP A 71 8.444 -3.039 -1.170 1.00 33.23 H new ATOM 1006 N ASN A 72 6.800 -6.255 -1.016 1.00 1.51 N ATOM 1007 CA ASN A 72 6.951 -7.711 -0.949 1.00 42.34 C ATOM 1008 C ASN A 72 6.581 -8.266 0.435 1.00 74.43 C ATOM 1009 O ASN A 72 7.313 -9.081 1.009 1.00 73.24 O ATOM 1010 CB ASN A 72 8.337 -8.141 -1.453 1.00 12.13 C ATOM 1011 CG ASN A 72 8.420 -9.627 -1.807 1.00 63.22 C ATOM 1012 OD1 ASN A 72 7.437 -10.369 -1.842 1.00 63.14 O ATOM 1013 ND2 ASN A 72 9.609 -10.099 -2.121 1.00 53.35 N ATOM 0 H ASN A 72 6.328 -5.968 -1.873 1.00 1.51 H new ATOM 0 HA ASN A 72 6.231 -8.166 -1.629 1.00 42.34 H new ATOM 0 HB2 ASN A 72 8.595 -7.551 -2.332 1.00 12.13 H new ATOM 0 HB3 ASN A 72 9.080 -7.915 -0.688 1.00 12.13 H new ATOM 0 HD21 ASN A 72 9.714 -11.077 -2.392 1.00 53.35 H new ATOM 0 HD22 ASN A 72 10.424 -9.487 -2.093 1.00 53.35 H new ATOM 1019 N THR A 73 5.481 -7.772 1.009 1.00 74.41 N ATOM 1020 CA THR A 73 5.021 -8.162 2.340 1.00 74.13 C ATOM 1021 C THR A 73 4.146 -9.411 2.265 1.00 71.43 C ATOM 1022 O THR A 73 3.662 -9.789 1.196 1.00 15.23 O ATOM 1023 CB THR A 73 4.292 -6.999 3.044 1.00 73.21 C ATOM 1024 OG1 THR A 73 3.202 -6.490 2.309 1.00 75.45 O ATOM 1025 CG2 THR A 73 5.246 -5.833 3.266 1.00 64.44 C ATOM 0 H THR A 73 4.880 -7.083 0.556 1.00 74.41 H new ATOM 0 HA THR A 73 5.896 -8.405 2.943 1.00 74.13 H new ATOM 0 HB THR A 73 3.925 -7.419 3.981 1.00 73.21 H new ATOM 0 HG1 THR A 73 2.783 -5.759 2.809 1.00 75.45 H new ATOM 0 HG21 THR A 73 4.717 -5.020 3.764 1.00 64.44 H new ATOM 0 HG22 THR A 73 6.080 -6.158 3.888 1.00 64.44 H new ATOM 0 HG23 THR A 73 5.625 -5.485 2.305 1.00 64.44 H new ATOM 1033 N LYS A 74 3.928 -10.055 3.411 1.00 3.21 N ATOM 1034 CA LYS A 74 2.957 -11.134 3.584 1.00 61.43 C ATOM 1035 C LYS A 74 1.598 -10.528 3.948 1.00 21.41 C ATOM 1036 O LYS A 74 1.553 -9.402 4.447 1.00 52.34 O ATOM 1037 CB LYS A 74 3.496 -12.060 4.679 1.00 34.31 C ATOM 1038 CG LYS A 74 2.868 -13.458 4.697 1.00 31.01 C ATOM 1039 CD LYS A 74 3.608 -14.348 5.714 1.00 71.25 C ATOM 1040 CE LYS A 74 3.980 -15.732 5.173 1.00 75.12 C ATOM 1041 NZ LYS A 74 4.930 -15.686 4.046 1.00 74.42 N ATOM 0 H LYS A 74 4.436 -9.834 4.268 1.00 3.21 H new ATOM 0 HA LYS A 74 2.816 -11.713 2.671 1.00 61.43 H new ATOM 0 HB2 LYS A 74 4.574 -12.162 4.553 1.00 34.31 H new ATOM 0 HB3 LYS A 74 3.332 -11.589 5.648 1.00 34.31 H new ATOM 0 HG2 LYS A 74 1.812 -13.389 4.960 1.00 31.01 H new ATOM 0 HG3 LYS A 74 2.921 -13.903 3.704 1.00 31.01 H new ATOM 0 HD2 LYS A 74 4.516 -13.838 6.035 1.00 71.25 H new ATOM 0 HD3 LYS A 74 2.982 -14.470 6.598 1.00 71.25 H new ATOM 0 HE2 LYS A 74 4.413 -16.324 5.979 1.00 75.12 H new ATOM 0 HE3 LYS A 74 3.073 -16.244 4.853 1.00 75.12 H new ATOM 0 HZ1 LYS A 74 5.334 -16.632 3.893 1.00 74.42 H new ATOM 0 HZ2 LYS A 74 4.433 -15.378 3.186 1.00 74.42 H new ATOM 0 HZ3 LYS A 74 5.694 -15.015 4.263 1.00 74.42 H new ATOM 1051 N PHE A 75 0.500 -11.245 3.713 1.00 32.23 N ATOM 1052 CA PHE A 75 -0.870 -10.805 3.952 1.00 32.44 C ATOM 1053 C PHE A 75 -1.683 -11.959 4.516 1.00 64.22 C ATOM 1054 O PHE A 75 -1.616 -13.058 3.968 1.00 41.11 O ATOM 1055 CB PHE A 75 -1.461 -10.303 2.620 1.00 13.42 C ATOM 1056 CG PHE A 75 -2.947 -9.992 2.626 1.00 33.34 C ATOM 1057 CD1 PHE A 75 -3.882 -11.043 2.582 1.00 25.24 C ATOM 1058 CD2 PHE A 75 -3.406 -8.663 2.631 1.00 1.11 C ATOM 1059 CE1 PHE A 75 -5.262 -10.779 2.587 1.00 10.50 C ATOM 1060 CE2 PHE A 75 -4.789 -8.405 2.599 1.00 45.15 C ATOM 1061 CZ PHE A 75 -5.717 -9.454 2.591 1.00 5.31 C ATOM 0 H PHE A 75 0.545 -12.191 3.334 1.00 32.23 H new ATOM 0 HA PHE A 75 -0.893 -9.993 4.678 1.00 32.44 H new ATOM 0 HB2 PHE A 75 -0.923 -9.403 2.323 1.00 13.42 H new ATOM 0 HB3 PHE A 75 -1.271 -11.055 1.855 1.00 13.42 H new ATOM 0 HD1 PHE A 75 -3.535 -12.065 2.544 1.00 25.24 H new ATOM 0 HD2 PHE A 75 -2.701 -7.845 2.659 1.00 1.11 H new ATOM 0 HE1 PHE A 75 -5.970 -11.595 2.588 1.00 10.50 H new ATOM 0 HE2 PHE A 75 -5.140 -7.384 2.580 1.00 45.15 H new ATOM 0 HZ PHE A 75 -6.776 -9.243 2.588 1.00 5.31 H new ATOM 1070 N ARG A 76 -2.452 -11.714 5.584 1.00 42.31 N ATOM 1071 CA ARG A 76 -3.312 -12.717 6.212 1.00 21.11 C ATOM 1072 C ARG A 76 -4.616 -12.842 5.460 1.00 51.31 C ATOM 1073 O ARG A 76 -5.425 -11.916 5.482 1.00 5.34 O ATOM 1074 CB ARG A 76 -3.601 -12.400 7.683 1.00 61.31 C ATOM 1075 CG ARG A 76 -2.335 -12.578 8.523 1.00 71.31 C ATOM 1076 CD ARG A 76 -2.566 -12.191 9.981 1.00 24.41 C ATOM 1077 NE ARG A 76 -1.279 -11.946 10.644 1.00 53.52 N ATOM 1078 CZ ARG A 76 -1.015 -10.990 11.537 1.00 74.33 C ATOM 1079 NH1 ARG A 76 -1.990 -10.281 12.092 1.00 22.52 N ATOM 1080 NH2 ARG A 76 0.250 -10.757 11.855 1.00 2.21 N ATOM 0 H ARG A 76 -2.493 -10.802 6.039 1.00 42.31 H new ATOM 0 HA ARG A 76 -2.770 -13.662 6.174 1.00 21.11 H new ATOM 0 HB2 ARG A 76 -3.967 -11.378 7.777 1.00 61.31 H new ATOM 0 HB3 ARG A 76 -4.388 -13.056 8.056 1.00 61.31 H new ATOM 0 HG2 ARG A 76 -2.006 -13.616 8.470 1.00 71.31 H new ATOM 0 HG3 ARG A 76 -1.533 -11.968 8.107 1.00 71.31 H new ATOM 0 HD2 ARG A 76 -3.188 -11.298 10.035 1.00 24.41 H new ATOM 0 HD3 ARG A 76 -3.105 -12.986 10.496 1.00 24.41 H new ATOM 0 HE ARG A 76 -0.510 -12.569 10.397 1.00 53.52 H new ATOM 0 HH11 ARG A 76 -2.961 -10.463 11.838 1.00 22.52 H new ATOM 0 HH12 ARG A 76 -1.768 -9.554 12.773 1.00 22.52 H new ATOM 0 HH21 ARG A 76 0.994 -11.303 11.420 1.00 2.21 H new ATOM 0 HH22 ARG A 76 0.480 -10.032 12.535 1.00 2.21 H new ATOM 1091 N SER A 77 -4.831 -13.979 4.816 1.00 43.25 N ATOM 1092 CA SER A 77 -6.141 -14.328 4.326 1.00 71.43 C ATOM 1093 C SER A 77 -6.969 -14.831 5.510 1.00 73.35 C ATOM 1094 O SER A 77 -6.436 -15.398 6.468 1.00 51.42 O ATOM 1095 CB SER A 77 -5.996 -15.478 3.310 1.00 1.14 C ATOM 1096 OG SER A 77 -4.779 -15.418 2.590 1.00 31.04 O ATOM 0 H SER A 77 -4.108 -14.673 4.624 1.00 43.25 H new ATOM 0 HA SER A 77 -6.618 -13.468 3.856 1.00 71.43 H new ATOM 0 HB2 SER A 77 -6.057 -16.431 3.835 1.00 1.14 H new ATOM 0 HB3 SER A 77 -6.830 -15.446 2.609 1.00 1.14 H new ATOM 0 HG SER A 77 -4.394 -16.317 2.523 1.00 31.04 H new ATOM 1101 N HIS A 78 -8.291 -14.748 5.388 1.00 33.14 N ATOM 1102 CA HIS A 78 -9.209 -15.333 6.357 1.00 51.44 C ATOM 1103 C HIS A 78 -9.237 -16.868 6.241 1.00 61.42 C ATOM 1104 O HIS A 78 -9.762 -17.543 7.122 1.00 41.45 O ATOM 1105 CB HIS A 78 -10.602 -14.729 6.144 1.00 42.31 C ATOM 1106 CG HIS A 78 -11.462 -14.783 7.378 1.00 34.34 C ATOM 1107 ND1 HIS A 78 -12.026 -15.912 7.917 1.00 11.22 N ATOM 1108 CD2 HIS A 78 -11.840 -13.718 8.151 1.00 3.20 C ATOM 1109 CE1 HIS A 78 -12.718 -15.546 9.005 1.00 63.51 C ATOM 1110 NE2 HIS A 78 -12.639 -14.214 9.190 1.00 74.54 N ATOM 0 H HIS A 78 -8.755 -14.273 4.614 1.00 33.14 H new ATOM 0 HA HIS A 78 -8.868 -15.102 7.366 1.00 51.44 H new ATOM 0 HB2 HIS A 78 -10.497 -13.692 5.826 1.00 42.31 H new ATOM 0 HB3 HIS A 78 -11.103 -15.261 5.335 1.00 42.31 H new ATOM 0 HD1 HIS A 78 -11.935 -16.861 7.554 1.00 11.22 H new ATOM 0 HD2 HIS A 78 -11.571 -12.684 7.990 1.00 3.20 H new ATOM 0 HE1 HIS A 78 -13.263 -16.225 9.644 1.00 63.51 H new ATOM 1117 N GLU A 79 -8.650 -17.436 5.183 1.00 13.42 N ATOM 1118 CA GLU A 79 -8.560 -18.867 4.895 1.00 74.13 C ATOM 1119 C GLU A 79 -7.621 -19.627 5.846 1.00 11.32 C ATOM 1120 O GLU A 79 -7.421 -20.827 5.669 1.00 64.35 O ATOM 1121 CB GLU A 79 -8.167 -19.041 3.412 1.00 50.34 C ATOM 1122 CG GLU A 79 -9.367 -19.137 2.477 1.00 32.01 C ATOM 1123 CD GLU A 79 -10.003 -20.517 2.355 1.00 50.52 C ATOM 1124 OE1 GLU A 79 -10.196 -21.213 3.370 1.00 52.32 O ATOM 1125 OE2 GLU A 79 -10.456 -20.848 1.229 1.00 2.50 O ATOM 0 H GLU A 79 -8.198 -16.873 4.462 1.00 13.42 H new ATOM 0 HA GLU A 79 -9.536 -19.318 5.071 1.00 74.13 H new ATOM 0 HB2 GLU A 79 -7.544 -18.200 3.107 1.00 50.34 H new ATOM 0 HB3 GLU A 79 -7.561 -19.941 3.307 1.00 50.34 H new ATOM 0 HG2 GLU A 79 -10.128 -18.436 2.820 1.00 32.01 H new ATOM 0 HG3 GLU A 79 -9.057 -18.811 1.484 1.00 32.01 H new ATOM 1130 N GLY A 80 -7.049 -18.969 6.858 1.00 50.54 N ATOM 1131 CA GLY A 80 -6.076 -19.590 7.749 1.00 45.34 C ATOM 1132 C GLY A 80 -4.730 -19.787 7.058 1.00 21.00 C ATOM 1133 O GLY A 80 -3.861 -20.521 7.537 1.00 44.44 O ATOM 0 H GLY A 80 -7.249 -17.994 7.079 1.00 50.54 H new ATOM 0 HA2 GLY A 80 -5.944 -18.969 8.635 1.00 45.34 H new ATOM 0 HA3 GLY A 80 -6.456 -20.553 8.089 1.00 45.34 H new ATOM 1137 N GLU A 81 -4.530 -19.105 5.937 1.00 64.43 N ATOM 1138 CA GLU A 81 -3.329 -19.082 5.143 1.00 44.53 C ATOM 1139 C GLU A 81 -3.000 -17.636 4.833 1.00 34.01 C ATOM 1140 O GLU A 81 -3.788 -16.734 5.114 1.00 31.43 O ATOM 1141 CB GLU A 81 -3.508 -19.936 3.878 1.00 75.42 C ATOM 1142 CG GLU A 81 -4.717 -19.591 2.988 1.00 72.42 C ATOM 1143 CD GLU A 81 -4.326 -18.954 1.650 1.00 75.35 C ATOM 1144 OE1 GLU A 81 -4.066 -19.692 0.660 1.00 0.31 O ATOM 1145 OE2 GLU A 81 -4.302 -17.709 1.557 1.00 14.10 O ATOM 0 H GLU A 81 -5.261 -18.515 5.539 1.00 64.43 H new ATOM 0 HA GLU A 81 -2.492 -19.519 5.687 1.00 44.53 H new ATOM 0 HB2 GLU A 81 -2.604 -19.849 3.276 1.00 75.42 H new ATOM 0 HB3 GLU A 81 -3.591 -20.980 4.179 1.00 75.42 H new ATOM 0 HG2 GLU A 81 -5.288 -20.499 2.796 1.00 72.42 H new ATOM 0 HG3 GLU A 81 -5.374 -18.909 3.528 1.00 72.42 H new ATOM 1150 N THR A 82 -1.823 -17.422 4.269 1.00 34.02 N ATOM 1151 CA THR A 82 -1.316 -16.107 3.941 1.00 23.34 C ATOM 1152 C THR A 82 -0.679 -16.226 2.558 1.00 20.10 C ATOM 1153 O THR A 82 -0.225 -17.317 2.179 1.00 63.13 O ATOM 1154 CB THR A 82 -0.341 -15.637 5.052 1.00 13.54 C ATOM 1155 OG1 THR A 82 0.853 -16.399 5.016 1.00 41.32 O ATOM 1156 CG2 THR A 82 -0.881 -15.814 6.478 1.00 34.11 C ATOM 0 H THR A 82 -1.182 -18.176 4.022 1.00 34.02 H new ATOM 0 HA THR A 82 -2.093 -15.343 3.899 1.00 23.34 H new ATOM 0 HB THR A 82 -0.188 -14.578 4.845 1.00 13.54 H new ATOM 0 HG1 THR A 82 1.312 -16.328 5.879 1.00 41.32 H new ATOM 0 HG21 THR A 82 -0.139 -15.462 7.194 1.00 34.11 H new ATOM 0 HG22 THR A 82 -1.799 -15.238 6.593 1.00 34.11 H new ATOM 0 HG23 THR A 82 -1.089 -16.868 6.660 1.00 34.11 H new ATOM 1164 N ALA A 83 -0.596 -15.133 1.804 1.00 61.22 N ATOM 1165 CA ALA A 83 0.239 -15.068 0.613 1.00 54.13 C ATOM 1166 C ALA A 83 1.063 -13.783 0.657 1.00 2.40 C ATOM 1167 O ALA A 83 1.019 -13.043 1.644 1.00 44.14 O ATOM 1168 CB ALA A 83 -0.626 -15.227 -0.646 1.00 21.23 C ATOM 0 H ALA A 83 -1.105 -14.271 2.002 1.00 61.22 H new ATOM 0 HA ALA A 83 0.950 -15.894 0.581 1.00 54.13 H new ATOM 0 HB1 ALA A 83 0.008 -15.177 -1.531 1.00 21.23 H new ATOM 0 HB2 ALA A 83 -1.135 -16.190 -0.618 1.00 21.23 H new ATOM 0 HB3 ALA A 83 -1.365 -14.427 -0.683 1.00 21.23 H new ATOM 1174 N TYR A 84 1.880 -13.540 -0.368 1.00 15.52 N ATOM 1175 CA TYR A 84 2.638 -12.306 -0.483 1.00 43.55 C ATOM 1176 C TYR A 84 1.875 -11.321 -1.365 1.00 60.04 C ATOM 1177 O TYR A 84 1.095 -11.722 -2.231 1.00 62.05 O ATOM 1178 CB TYR A 84 4.036 -12.574 -1.051 1.00 33.22 C ATOM 1179 CG TYR A 84 4.060 -12.665 -2.568 1.00 24.32 C ATOM 1180 CD1 TYR A 84 3.671 -13.856 -3.212 1.00 54.34 C ATOM 1181 CD2 TYR A 84 4.321 -11.511 -3.331 1.00 24.01 C ATOM 1182 CE1 TYR A 84 3.510 -13.890 -4.609 1.00 1.52 C ATOM 1183 CE2 TYR A 84 4.121 -11.523 -4.720 1.00 43.24 C ATOM 1184 CZ TYR A 84 3.709 -12.710 -5.363 1.00 23.32 C ATOM 1185 OH TYR A 84 3.492 -12.697 -6.706 1.00 21.41 O ATOM 0 H TYR A 84 2.031 -14.194 -1.136 1.00 15.52 H new ATOM 0 HA TYR A 84 2.763 -11.873 0.510 1.00 43.55 H new ATOM 0 HB2 TYR A 84 4.709 -11.779 -0.731 1.00 33.22 H new ATOM 0 HB3 TYR A 84 4.419 -13.504 -0.632 1.00 33.22 H new ATOM 0 HD1 TYR A 84 3.495 -14.748 -2.630 1.00 54.34 H new ATOM 0 HD2 TYR A 84 4.676 -10.614 -2.846 1.00 24.01 H new ATOM 0 HE1 TYR A 84 3.236 -14.811 -5.102 1.00 1.52 H new ATOM 0 HE2 TYR A 84 4.282 -10.624 -5.297 1.00 43.24 H new ATOM 0 HH TYR A 84 3.678 -11.802 -7.059 1.00 21.41 H new ATOM 1194 N ILE A 85 2.150 -10.035 -1.198 1.00 33.40 N ATOM 1195 CA ILE A 85 1.662 -8.968 -2.059 1.00 64.42 C ATOM 1196 C ILE A 85 2.852 -8.166 -2.573 1.00 74.34 C ATOM 1197 O ILE A 85 3.976 -8.309 -2.092 1.00 15.42 O ATOM 1198 CB ILE A 85 0.645 -8.084 -1.309 1.00 52.13 C ATOM 1199 CG1 ILE A 85 1.237 -7.501 -0.012 1.00 3.53 C ATOM 1200 CG2 ILE A 85 -0.639 -8.864 -1.000 1.00 23.31 C ATOM 1201 CD1 ILE A 85 0.515 -6.233 0.446 1.00 12.40 C ATOM 0 H ILE A 85 2.737 -9.696 -0.436 1.00 33.40 H new ATOM 0 HA ILE A 85 1.135 -9.391 -2.914 1.00 64.42 H new ATOM 0 HB ILE A 85 0.400 -7.251 -1.969 1.00 52.13 H new ATOM 0 HG12 ILE A 85 1.182 -8.251 0.777 1.00 3.53 H new ATOM 0 HG13 ILE A 85 2.293 -7.278 -0.167 1.00 3.53 H new ATOM 0 HG21 ILE A 85 -1.339 -8.217 -0.471 1.00 23.31 H new ATOM 0 HG22 ILE A 85 -1.092 -9.203 -1.932 1.00 23.31 H new ATOM 0 HG23 ILE A 85 -0.400 -9.726 -0.378 1.00 23.31 H new ATOM 0 HD11 ILE A 85 0.973 -5.865 1.364 1.00 12.40 H new ATOM 0 HD12 ILE A 85 0.592 -5.470 -0.329 1.00 12.40 H new ATOM 0 HD13 ILE A 85 -0.535 -6.459 0.630 1.00 12.40 H new ATOM 1212 N ARG A 86 2.606 -7.300 -3.550 1.00 0.44 N ATOM 1213 CA ARG A 86 3.519 -6.249 -3.968 1.00 63.04 C ATOM 1214 C ARG A 86 2.757 -4.943 -3.901 1.00 43.21 C ATOM 1215 O ARG A 86 1.555 -4.907 -4.179 1.00 20.41 O ATOM 1216 CB ARG A 86 4.028 -6.492 -5.397 1.00 31.44 C ATOM 1217 CG ARG A 86 4.913 -7.743 -5.515 1.00 64.03 C ATOM 1218 CD ARG A 86 6.387 -7.415 -5.794 1.00 3.40 C ATOM 1219 NE ARG A 86 6.590 -6.904 -7.163 1.00 23.30 N ATOM 1220 CZ ARG A 86 7.667 -7.077 -7.937 1.00 43.14 C ATOM 1221 NH1 ARG A 86 8.721 -7.760 -7.506 1.00 11.24 N ATOM 1222 NH2 ARG A 86 7.684 -6.568 -9.160 1.00 40.51 N ATOM 0 H ARG A 86 1.739 -7.313 -4.087 1.00 0.44 H new ATOM 0 HA ARG A 86 4.392 -6.229 -3.315 1.00 63.04 H new ATOM 0 HB2 ARG A 86 3.175 -6.592 -6.068 1.00 31.44 H new ATOM 0 HB3 ARG A 86 4.594 -5.621 -5.728 1.00 31.44 H new ATOM 0 HG2 ARG A 86 4.844 -8.318 -4.592 1.00 64.03 H new ATOM 0 HG3 ARG A 86 4.531 -8.377 -6.315 1.00 64.03 H new ATOM 0 HD2 ARG A 86 6.736 -6.674 -5.075 1.00 3.40 H new ATOM 0 HD3 ARG A 86 6.992 -8.310 -5.648 1.00 3.40 H new ATOM 0 HE ARG A 86 5.826 -6.359 -7.563 1.00 23.30 H new ATOM 0 HH11 ARG A 86 8.719 -8.164 -6.569 1.00 11.24 H new ATOM 0 HH12 ARG A 86 9.533 -7.881 -8.112 1.00 11.24 H new ATOM 0 HH21 ARG A 86 6.878 -6.047 -9.507 1.00 40.51 H new ATOM 0 HH22 ARG A 86 8.503 -6.697 -9.755 1.00 40.51 H new ATOM 1233 N VAL A 87 3.476 -3.882 -3.578 1.00 13.40 N ATOM 1234 CA VAL A 87 3.001 -2.507 -3.545 1.00 51.11 C ATOM 1235 C VAL A 87 3.544 -1.768 -4.771 1.00 74.23 C ATOM 1236 O VAL A 87 4.661 -2.034 -5.233 1.00 74.41 O ATOM 1237 CB VAL A 87 3.429 -1.905 -2.187 1.00 20.44 C ATOM 1238 CG1 VAL A 87 3.346 -0.379 -2.126 1.00 63.12 C ATOM 1239 CG2 VAL A 87 2.505 -2.456 -1.089 1.00 41.12 C ATOM 0 H VAL A 87 4.459 -3.959 -3.318 1.00 13.40 H new ATOM 0 HA VAL A 87 1.916 -2.424 -3.607 1.00 51.11 H new ATOM 0 HB VAL A 87 4.473 -2.185 -2.048 1.00 20.44 H new ATOM 0 HG11 VAL A 87 3.663 -0.036 -1.141 1.00 63.12 H new ATOM 0 HG12 VAL A 87 3.997 0.052 -2.887 1.00 63.12 H new ATOM 0 HG13 VAL A 87 2.319 -0.063 -2.307 1.00 63.12 H new ATOM 0 HG21 VAL A 87 2.796 -2.039 -0.125 1.00 41.12 H new ATOM 0 HG22 VAL A 87 1.474 -2.178 -1.308 1.00 41.12 H new ATOM 0 HG23 VAL A 87 2.589 -3.542 -1.054 1.00 41.12 H new ATOM 1249 N LYS A 88 2.757 -0.827 -5.299 1.00 44.51 N ATOM 1250 CA LYS A 88 3.113 0.089 -6.378 1.00 71.43 C ATOM 1251 C LYS A 88 2.327 1.380 -6.205 1.00 41.20 C ATOM 1252 O LYS A 88 1.311 1.418 -5.508 1.00 62.44 O ATOM 1253 CB LYS A 88 2.818 -0.536 -7.755 1.00 33.00 C ATOM 1254 CG LYS A 88 1.437 -1.210 -7.824 1.00 55.45 C ATOM 1255 CD LYS A 88 1.002 -1.634 -9.231 1.00 1.40 C ATOM 1256 CE LYS A 88 0.298 -0.517 -10.017 1.00 1.24 C ATOM 1257 NZ LYS A 88 1.209 0.437 -10.673 1.00 60.11 N ATOM 0 H LYS A 88 1.805 -0.678 -4.965 1.00 44.51 H new ATOM 0 HA LYS A 88 4.182 0.296 -6.332 1.00 71.43 H new ATOM 0 HB2 LYS A 88 2.877 0.238 -8.520 1.00 33.00 H new ATOM 0 HB3 LYS A 88 3.588 -1.272 -7.986 1.00 33.00 H new ATOM 0 HG2 LYS A 88 1.444 -2.089 -7.180 1.00 55.45 H new ATOM 0 HG3 LYS A 88 0.692 -0.525 -7.419 1.00 55.45 H new ATOM 0 HD2 LYS A 88 1.878 -1.964 -9.790 1.00 1.40 H new ATOM 0 HD3 LYS A 88 0.332 -2.490 -9.153 1.00 1.40 H new ATOM 0 HE2 LYS A 88 -0.340 -0.971 -10.775 1.00 1.24 H new ATOM 0 HE3 LYS A 88 -0.355 0.032 -9.338 1.00 1.24 H new ATOM 0 HZ1 LYS A 88 0.967 0.511 -11.682 1.00 60.11 H new ATOM 0 HZ2 LYS A 88 1.115 1.371 -10.225 1.00 60.11 H new ATOM 0 HZ3 LYS A 88 2.189 0.103 -10.576 1.00 60.11 H new ATOM 1267 N VAL A 89 2.796 2.451 -6.834 1.00 14.11 N ATOM 1268 CA VAL A 89 2.028 3.671 -6.990 1.00 5.15 C ATOM 1269 C VAL A 89 1.008 3.379 -8.086 1.00 32.53 C ATOM 1270 O VAL A 89 1.254 2.548 -8.964 1.00 64.01 O ATOM 1271 CB VAL A 89 2.953 4.863 -7.317 1.00 12.45 C ATOM 1272 CG1 VAL A 89 2.190 6.197 -7.246 1.00 25.12 C ATOM 1273 CG2 VAL A 89 4.150 4.931 -6.350 1.00 22.13 C ATOM 0 H VAL A 89 3.726 2.493 -7.251 1.00 14.11 H new ATOM 0 HA VAL A 89 1.515 3.962 -6.073 1.00 5.15 H new ATOM 0 HB VAL A 89 3.317 4.704 -8.332 1.00 12.45 H new ATOM 0 HG11 VAL A 89 2.868 7.017 -7.481 1.00 25.12 H new ATOM 0 HG12 VAL A 89 1.371 6.186 -7.965 1.00 25.12 H new ATOM 0 HG13 VAL A 89 1.790 6.334 -6.242 1.00 25.12 H new ATOM 0 HG21 VAL A 89 4.780 5.782 -6.610 1.00 22.13 H new ATOM 0 HG22 VAL A 89 3.787 5.047 -5.329 1.00 22.13 H new ATOM 0 HG23 VAL A 89 4.732 4.012 -6.426 1.00 22.13 H new ATOM 1283 N ASP A 90 -0.136 4.042 -8.004 1.00 11.14 N ATOM 1284 CA ASP A 90 -1.177 4.067 -9.029 1.00 53.25 C ATOM 1285 C ASP A 90 -0.620 4.648 -10.315 1.00 34.24 C ATOM 1286 O ASP A 90 0.028 5.713 -10.255 1.00 64.23 O ATOM 1287 CB ASP A 90 -2.354 4.894 -8.506 1.00 42.32 C ATOM 1288 CG ASP A 90 -3.348 5.287 -9.599 1.00 32.44 C ATOM 1289 OD1 ASP A 90 -3.192 6.382 -10.187 1.00 74.13 O ATOM 1290 OD2 ASP A 90 -4.346 4.548 -9.775 1.00 70.21 O ATOM 0 H ASP A 90 -0.378 4.603 -7.187 1.00 11.14 H new ATOM 0 HA ASP A 90 -1.523 3.057 -9.247 1.00 53.25 H new ATOM 0 HB2 ASP A 90 -2.876 4.325 -7.737 1.00 42.32 H new ATOM 0 HB3 ASP A 90 -1.972 5.797 -8.030 1.00 42.32 H new TER 1294 ASP A 90