USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 945 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 Single : A 11 SER OG : rot 61:sc= 0.987 USER MOD Single : A 15 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.43) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.664 K(o=0.66,f=-2.9!) USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.204 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.2 F(o=-1.1,f=-0.2) USER MOD Single : A 48 THR OG1 : rot 141:sc= 0.0272 USER MOD Single : A 50 MET CE :methyl 171:sc=-0.00859 (180deg=-0.152) USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= 0.0228! (180deg=-1.69) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= -0.281 (180deg=-1.29!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -158:sc= 0 (180deg=-0.909) USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= -0.873 (180deg=-1.38!) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 1.05 (180deg=0.753) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.0703 X(o=0.07,f=-0.38) USER MOD Single : A 85 MET CE :methyl 152:sc= -0.593 (180deg=-1.04) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= -0.689 (180deg=-0.929) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.927 (180deg=-2.11) USER MOD Single : A 109 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.669) USER MOD Single : A 112 LYS NZ :NH3+ -119:sc= 1.07 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 6.768 -9.343 -4.257 1.00 2.14 N ATOM 56 CA GLU A 5 7.004 -9.355 -2.807 1.00 0.95 C ATOM 57 C GLU A 5 5.974 -8.478 -2.081 1.00 0.96 C ATOM 58 O GLU A 5 5.836 -7.300 -2.413 1.00 1.57 O ATOM 59 CB GLU A 5 8.412 -8.818 -2.494 1.00 1.88 C ATOM 60 CG GLU A 5 9.559 -9.601 -3.137 1.00 2.96 C ATOM 61 CD GLU A 5 10.890 -8.932 -2.800 1.00 4.64 C ATOM 62 OE1 GLU A 5 11.150 -7.837 -3.355 1.00 5.82 O ATOM 63 OE2 GLU A 5 11.624 -9.493 -1.962 1.00 5.45 O ATOM 0 HA GLU A 5 6.912 -10.385 -2.462 1.00 0.95 H new ATOM 0 HB2 GLU A 5 8.471 -7.781 -2.823 1.00 1.88 H new ATOM 0 HB3 GLU A 5 8.553 -8.818 -1.413 1.00 1.88 H new ATOM 0 HG2 GLU A 5 9.557 -10.630 -2.777 1.00 2.96 H new ATOM 0 HG3 GLU A 5 9.424 -9.641 -4.218 1.00 2.96 H new ATOM 70 N GLY A 6 5.291 -8.999 -1.054 1.00 1.03 N ATOM 71 CA GLY A 6 4.392 -8.195 -0.216 1.00 0.96 C ATOM 72 C GLY A 6 3.745 -8.937 0.953 1.00 1.00 C ATOM 73 O GLY A 6 3.909 -10.146 1.086 1.00 1.29 O ATOM 0 H GLY A 6 5.345 -9.981 -0.782 1.00 1.03 H new ATOM 0 HA2 GLY A 6 4.953 -7.348 0.179 1.00 0.96 H new ATOM 0 HA3 GLY A 6 3.602 -7.788 -0.847 1.00 0.96 H new ATOM 77 N TRP A 7 2.998 -8.204 1.789 1.00 0.84 N ATOM 78 CA TRP A 7 2.291 -8.724 2.957 1.00 0.94 C ATOM 79 C TRP A 7 1.091 -7.846 3.380 1.00 0.83 C ATOM 80 O TRP A 7 1.238 -6.671 3.729 1.00 0.98 O ATOM 81 CB TRP A 7 3.257 -8.965 4.134 1.00 1.12 C ATOM 82 CG TRP A 7 3.917 -7.775 4.766 1.00 1.13 C ATOM 83 CD1 TRP A 7 3.609 -7.316 5.994 1.00 1.30 C ATOM 84 CD2 TRP A 7 4.975 -6.892 4.267 1.00 1.15 C ATOM 85 NE1 TRP A 7 4.394 -6.222 6.303 1.00 1.45 N ATOM 86 CE2 TRP A 7 5.219 -5.887 5.252 1.00 1.38 C ATOM 87 CE3 TRP A 7 5.748 -6.820 3.088 1.00 1.14 C ATOM 88 CZ2 TRP A 7 6.124 -4.832 5.050 1.00 1.61 C ATOM 89 CZ3 TRP A 7 6.656 -5.765 2.868 1.00 1.37 C ATOM 90 CH2 TRP A 7 6.836 -4.765 3.840 1.00 1.61 C ATOM 0 H TRP A 7 2.868 -7.200 1.663 1.00 0.84 H new ATOM 0 HA TRP A 7 1.872 -9.685 2.659 1.00 0.94 H new ATOM 0 HB2 TRP A 7 2.707 -9.493 4.913 1.00 1.12 H new ATOM 0 HB3 TRP A 7 4.043 -9.636 3.787 1.00 1.12 H new ATOM 0 HD1 TRP A 7 2.858 -7.741 6.643 1.00 1.30 H new ATOM 0 HE1 TRP A 7 4.366 -5.726 7.194 1.00 1.45 H new ATOM 0 HE3 TRP A 7 5.641 -7.590 2.338 1.00 1.14 H new ATOM 0 HZ2 TRP A 7 6.271 -4.083 5.814 1.00 1.61 H new ATOM 0 HZ3 TRP A 7 7.218 -5.724 1.946 1.00 1.37 H new ATOM 0 HH2 TRP A 7 7.519 -3.948 3.657 1.00 1.61 H new ATOM 101 N VAL A 8 -0.106 -8.435 3.451 1.00 0.74 N ATOM 102 CA VAL A 8 -1.268 -7.828 4.142 1.00 0.74 C ATOM 103 C VAL A 8 -1.131 -8.075 5.653 1.00 0.79 C ATOM 104 O VAL A 8 -0.452 -9.023 6.040 1.00 1.16 O ATOM 105 CB VAL A 8 -2.584 -8.369 3.544 1.00 0.78 C ATOM 106 CG1 VAL A 8 -3.827 -8.139 4.419 1.00 1.01 C ATOM 107 CG2 VAL A 8 -2.824 -7.691 2.188 1.00 0.99 C ATOM 0 H VAL A 8 -0.306 -9.345 3.035 1.00 0.74 H new ATOM 0 HA VAL A 8 -1.292 -6.749 3.991 1.00 0.74 H new ATOM 0 HB VAL A 8 -2.455 -9.448 3.460 1.00 0.78 H new ATOM 0 HG11 VAL A 8 -4.704 -8.551 3.920 1.00 1.01 H new ATOM 0 HG12 VAL A 8 -3.691 -8.633 5.381 1.00 1.01 H new ATOM 0 HG13 VAL A 8 -3.968 -7.070 4.577 1.00 1.01 H new ATOM 0 HG21 VAL A 8 -3.751 -8.064 1.754 1.00 0.99 H new ATOM 0 HG22 VAL A 8 -2.897 -6.613 2.328 1.00 0.99 H new ATOM 0 HG23 VAL A 8 -1.994 -7.914 1.518 1.00 0.99 H new ATOM 117 N ARG A 9 -1.704 -7.211 6.509 1.00 1.00 N ATOM 118 CA ARG A 9 -1.407 -7.227 7.955 1.00 0.94 C ATOM 119 C ARG A 9 -2.537 -7.703 8.880 1.00 1.03 C ATOM 120 O ARG A 9 -2.264 -8.067 10.027 1.00 2.48 O ATOM 121 CB ARG A 9 -0.883 -5.845 8.378 1.00 1.26 C ATOM 122 CG ARG A 9 0.149 -5.910 9.517 1.00 1.30 C ATOM 123 CD ARG A 9 1.373 -6.771 9.160 1.00 2.59 C ATOM 124 NE ARG A 9 2.413 -6.667 10.182 1.00 3.37 N ATOM 125 CZ ARG A 9 3.516 -7.391 10.258 1.00 5.15 C ATOM 126 NH1 ARG A 9 3.964 -8.089 9.239 1.00 6.64 N ATOM 127 NH2 ARG A 9 4.167 -7.422 11.394 1.00 5.87 N ATOM 0 H ARG A 9 -2.373 -6.495 6.227 1.00 1.00 H new ATOM 0 HA ARG A 9 -0.644 -7.995 8.086 1.00 0.94 H new ATOM 0 HB2 ARG A 9 -0.432 -5.355 7.515 1.00 1.26 H new ATOM 0 HB3 ARG A 9 -1.723 -5.226 8.693 1.00 1.26 H new ATOM 0 HG2 ARG A 9 0.479 -4.900 9.761 1.00 1.30 H new ATOM 0 HG3 ARG A 9 -0.327 -6.315 10.410 1.00 1.30 H new ATOM 0 HD2 ARG A 9 1.069 -7.812 9.053 1.00 2.59 H new ATOM 0 HD3 ARG A 9 1.774 -6.455 8.197 1.00 2.59 H new ATOM 0 HE ARG A 9 2.273 -5.965 10.909 1.00 3.37 H new ATOM 0 HH11 ARG A 9 3.457 -8.083 8.354 1.00 6.64 H new ATOM 0 HH12 ARG A 9 4.819 -8.637 9.333 1.00 6.64 H new ATOM 0 HH21 ARG A 9 3.820 -6.895 12.195 1.00 5.87 H new ATOM 0 HH22 ARG A 9 5.021 -7.974 11.478 1.00 5.87 H new ATOM 141 N PHE A 10 -3.790 -7.686 8.387 1.00 1.44 N ATOM 142 CA PHE A 10 -4.980 -8.229 9.063 1.00 1.18 C ATOM 143 C PHE A 10 -5.267 -7.538 10.419 1.00 1.37 C ATOM 144 O PHE A 10 -4.510 -6.685 10.882 1.00 2.07 O ATOM 145 CB PHE A 10 -4.833 -9.766 9.104 1.00 1.06 C ATOM 146 CG PHE A 10 -5.382 -10.540 10.296 1.00 1.07 C ATOM 147 CD1 PHE A 10 -6.745 -10.878 10.415 1.00 2.08 C ATOM 148 CD2 PHE A 10 -4.492 -10.922 11.314 1.00 2.09 C ATOM 149 CE1 PHE A 10 -7.203 -11.607 11.527 1.00 2.12 C ATOM 150 CE2 PHE A 10 -4.941 -11.658 12.425 1.00 2.10 C ATOM 151 CZ PHE A 10 -6.299 -12.002 12.528 1.00 1.17 C ATOM 0 H PHE A 10 -4.007 -7.280 7.477 1.00 1.44 H new ATOM 0 HA PHE A 10 -5.887 -8.001 8.503 1.00 1.18 H new ATOM 0 HB2 PHE A 10 -5.310 -10.164 8.208 1.00 1.06 H new ATOM 0 HB3 PHE A 10 -3.770 -9.995 9.027 1.00 1.06 H new ATOM 0 HD1 PHE A 10 -7.442 -10.575 9.648 1.00 2.08 H new ATOM 0 HD2 PHE A 10 -3.450 -10.647 11.242 1.00 2.09 H new ATOM 0 HE1 PHE A 10 -8.249 -11.863 11.612 1.00 2.12 H new ATOM 0 HE2 PHE A 10 -4.245 -11.957 13.195 1.00 2.10 H new ATOM 0 HZ PHE A 10 -6.649 -12.570 13.377 1.00 1.17 H new ATOM 161 N SER A 11 -6.400 -7.869 11.040 1.00 1.15 N ATOM 162 CA SER A 11 -6.844 -7.521 12.387 1.00 1.24 C ATOM 163 C SER A 11 -8.240 -8.126 12.646 1.00 1.26 C ATOM 164 O SER A 11 -8.856 -8.616 11.695 1.00 1.36 O ATOM 165 CB SER A 11 -6.855 -6.002 12.527 1.00 1.52 C ATOM 166 OG SER A 11 -5.625 -5.581 13.079 1.00 1.79 O ATOM 0 H SER A 11 -7.096 -8.443 10.564 1.00 1.15 H new ATOM 0 HA SER A 11 -6.162 -7.931 13.131 1.00 1.24 H new ATOM 0 HB2 SER A 11 -7.010 -5.536 11.554 1.00 1.52 H new ATOM 0 HB3 SER A 11 -7.681 -5.689 13.166 1.00 1.52 H new ATOM 0 HG SER A 11 -4.892 -5.842 12.483 1.00 1.79 H new ATOM 172 N PRO A 12 -8.778 -8.074 13.882 1.00 1.35 N ATOM 173 CA PRO A 12 -10.165 -8.447 14.172 1.00 1.43 C ATOM 174 C PRO A 12 -11.202 -7.421 13.673 1.00 1.45 C ATOM 175 O PRO A 12 -12.397 -7.621 13.878 1.00 1.71 O ATOM 176 CB PRO A 12 -10.226 -8.583 15.698 1.00 1.62 C ATOM 177 CG PRO A 12 -9.189 -7.568 16.175 1.00 1.69 C ATOM 178 CD PRO A 12 -8.097 -7.680 15.112 1.00 1.51 C ATOM 0 HA PRO A 12 -10.424 -9.367 13.648 1.00 1.43 H new ATOM 0 HB2 PRO A 12 -11.220 -8.356 16.084 1.00 1.62 H new ATOM 0 HB3 PRO A 12 -9.981 -9.594 16.023 1.00 1.62 H new ATOM 0 HG2 PRO A 12 -9.602 -6.561 16.227 1.00 1.69 H new ATOM 0 HG3 PRO A 12 -8.813 -7.810 17.169 1.00 1.69 H new ATOM 0 HD2 PRO A 12 -7.577 -6.731 14.984 1.00 1.51 H new ATOM 0 HD3 PRO A 12 -7.347 -8.418 15.398 1.00 1.51 H new ATOM 186 N GLY A 13 -10.760 -6.319 13.051 1.00 1.36 N ATOM 187 CA GLY A 13 -11.596 -5.180 12.669 1.00 1.44 C ATOM 188 C GLY A 13 -11.527 -4.033 13.691 1.00 1.63 C ATOM 189 O GLY A 13 -10.889 -4.173 14.735 1.00 1.78 O ATOM 0 H GLY A 13 -9.781 -6.195 12.794 1.00 1.36 H new ATOM 0 HA2 GLY A 13 -11.280 -4.812 11.693 1.00 1.44 H new ATOM 0 HA3 GLY A 13 -12.630 -5.510 12.566 1.00 1.44 H new ATOM 193 N PRO A 14 -12.156 -2.875 13.405 1.00 1.71 N ATOM 194 CA PRO A 14 -12.845 -2.537 12.160 1.00 1.67 C ATOM 195 C PRO A 14 -11.880 -2.143 11.026 1.00 1.42 C ATOM 196 O PRO A 14 -12.333 -1.930 9.903 1.00 1.42 O ATOM 197 CB PRO A 14 -13.746 -1.356 12.540 1.00 1.96 C ATOM 198 CG PRO A 14 -12.917 -0.619 13.592 1.00 2.06 C ATOM 199 CD PRO A 14 -12.232 -1.762 14.342 1.00 1.97 C ATOM 0 HA PRO A 14 -13.394 -3.393 11.769 1.00 1.67 H new ATOM 0 HB2 PRO A 14 -13.965 -0.722 11.681 1.00 1.96 H new ATOM 0 HB3 PRO A 14 -14.703 -1.690 12.941 1.00 1.96 H new ATOM 0 HG2 PRO A 14 -12.194 0.057 13.137 1.00 2.06 H new ATOM 0 HG3 PRO A 14 -13.542 -0.019 14.253 1.00 2.06 H new ATOM 0 HD2 PRO A 14 -11.238 -1.467 14.677 1.00 1.97 H new ATOM 0 HD3 PRO A 14 -12.799 -2.039 15.231 1.00 1.97 H new ATOM 207 N ASN A 15 -10.575 -2.041 11.303 1.00 1.30 N ATOM 208 CA ASN A 15 -9.525 -1.624 10.367 1.00 1.09 C ATOM 209 C ASN A 15 -8.317 -2.593 10.351 1.00 1.04 C ATOM 210 O ASN A 15 -8.297 -3.553 11.122 1.00 1.34 O ATOM 211 CB ASN A 15 -9.099 -0.186 10.725 1.00 1.18 C ATOM 212 CG ASN A 15 -8.456 -0.095 12.106 1.00 1.37 C ATOM 213 OD1 ASN A 15 -7.321 -0.495 12.309 1.00 1.89 O ATOM 214 ND2 ASN A 15 -9.165 0.406 13.101 1.00 1.77 N ATOM 0 H ASN A 15 -10.205 -2.257 12.229 1.00 1.30 H new ATOM 0 HA ASN A 15 -9.926 -1.651 9.354 1.00 1.09 H new ATOM 0 HB2 ASN A 15 -8.396 0.179 9.976 1.00 1.18 H new ATOM 0 HB3 ASN A 15 -9.971 0.467 10.690 1.00 1.18 H new ATOM 0 HD21 ASN A 15 -8.764 0.458 14.037 1.00 1.77 H new ATOM 0 HD22 ASN A 15 -10.114 0.741 12.933 1.00 1.77 H new ATOM 221 N ALA A 16 -7.325 -2.331 9.484 1.00 0.79 N ATOM 222 CA ALA A 16 -6.033 -3.026 9.354 1.00 0.78 C ATOM 223 C ALA A 16 -5.079 -2.234 8.433 1.00 0.77 C ATOM 224 O ALA A 16 -5.390 -1.111 8.043 1.00 0.79 O ATOM 225 CB ALA A 16 -6.249 -4.462 8.841 1.00 0.68 C ATOM 0 H ALA A 16 -7.411 -1.573 8.807 1.00 0.79 H new ATOM 0 HA ALA A 16 -5.566 -3.087 10.337 1.00 0.78 H new ATOM 0 HB1 ALA A 16 -5.286 -4.964 8.749 1.00 0.68 H new ATOM 0 HB2 ALA A 16 -6.878 -5.009 9.544 1.00 0.68 H new ATOM 0 HB3 ALA A 16 -6.736 -4.431 7.866 1.00 0.68 H new ATOM 231 N ALA A 17 -3.956 -2.836 8.029 1.00 0.78 N ATOM 232 CA ALA A 17 -2.978 -2.285 7.087 1.00 0.75 C ATOM 233 C ALA A 17 -2.616 -3.289 5.969 1.00 0.84 C ATOM 234 O ALA A 17 -2.881 -4.492 6.096 1.00 1.17 O ATOM 235 CB ALA A 17 -1.720 -1.894 7.871 1.00 0.73 C ATOM 0 H ALA A 17 -3.693 -3.762 8.365 1.00 0.78 H new ATOM 0 HA ALA A 17 -3.416 -1.414 6.600 1.00 0.75 H new ATOM 0 HB1 ALA A 17 -0.979 -1.481 7.187 1.00 0.73 H new ATOM 0 HB2 ALA A 17 -1.977 -1.147 8.622 1.00 0.73 H new ATOM 0 HB3 ALA A 17 -1.309 -2.776 8.362 1.00 0.73 H new ATOM 241 N ALA A 18 -1.932 -2.810 4.927 1.00 0.72 N ATOM 242 CA ALA A 18 -1.330 -3.613 3.865 1.00 0.75 C ATOM 243 C ALA A 18 -0.065 -2.942 3.305 1.00 0.76 C ATOM 244 O ALA A 18 0.048 -1.714 3.283 1.00 0.78 O ATOM 245 CB ALA A 18 -2.369 -3.880 2.765 1.00 0.77 C ATOM 0 H ALA A 18 -1.777 -1.810 4.797 1.00 0.72 H new ATOM 0 HA ALA A 18 -1.017 -4.570 4.282 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -1.916 -4.479 1.975 1.00 0.77 H new ATOM 0 HB2 ALA A 18 -3.217 -4.419 3.188 1.00 0.77 H new ATOM 0 HB3 ALA A 18 -2.712 -2.932 2.350 1.00 0.77 H new ATOM 251 N TYR A 19 0.874 -3.767 2.843 1.00 0.77 N ATOM 252 CA TYR A 19 2.177 -3.359 2.307 1.00 0.79 C ATOM 253 C TYR A 19 2.604 -4.306 1.181 1.00 0.87 C ATOM 254 O TYR A 19 2.258 -5.489 1.204 1.00 1.01 O ATOM 255 CB TYR A 19 3.252 -3.405 3.404 1.00 0.88 C ATOM 256 CG TYR A 19 2.805 -2.964 4.781 1.00 0.90 C ATOM 257 CD1 TYR A 19 2.835 -1.609 5.161 1.00 2.20 C ATOM 258 CD2 TYR A 19 2.320 -3.932 5.678 1.00 1.66 C ATOM 259 CE1 TYR A 19 2.357 -1.225 6.430 1.00 2.39 C ATOM 260 CE2 TYR A 19 1.901 -3.566 6.962 1.00 1.56 C ATOM 261 CZ TYR A 19 1.898 -2.206 7.340 1.00 1.13 C ATOM 262 OH TYR A 19 1.442 -1.857 8.573 1.00 1.31 O ATOM 0 H TYR A 19 0.745 -4.779 2.830 1.00 0.77 H new ATOM 0 HA TYR A 19 2.078 -2.342 1.929 1.00 0.79 H new ATOM 0 HB2 TYR A 19 3.630 -4.425 3.474 1.00 0.88 H new ATOM 0 HB3 TYR A 19 4.087 -2.777 3.095 1.00 0.88 H new ATOM 0 HD1 TYR A 19 3.224 -0.865 4.481 1.00 2.20 H new ATOM 0 HD2 TYR A 19 2.270 -4.967 5.373 1.00 1.66 H new ATOM 0 HE1 TYR A 19 2.341 -0.181 6.708 1.00 2.39 H new ATOM 0 HE2 TYR A 19 1.580 -4.323 7.663 1.00 1.56 H new ATOM 0 HH TYR A 19 1.167 -2.662 9.060 1.00 1.31 H new ATOM 272 N LEU A 20 3.402 -3.808 0.229 1.00 0.82 N ATOM 273 CA LEU A 20 3.863 -4.546 -0.951 1.00 0.86 C ATOM 274 C LEU A 20 4.882 -3.768 -1.783 1.00 0.85 C ATOM 275 O LEU A 20 4.966 -2.539 -1.700 1.00 0.91 O ATOM 276 CB LEU A 20 2.681 -5.027 -1.824 1.00 0.98 C ATOM 277 CG LEU A 20 1.982 -3.996 -2.733 1.00 0.98 C ATOM 278 CD1 LEU A 20 0.772 -4.693 -3.366 1.00 2.07 C ATOM 279 CD2 LEU A 20 1.495 -2.733 -2.010 1.00 1.31 C ATOM 0 H LEU A 20 3.755 -2.851 0.260 1.00 0.82 H new ATOM 0 HA LEU A 20 4.380 -5.426 -0.569 1.00 0.86 H new ATOM 0 HB2 LEU A 20 3.042 -5.838 -2.456 1.00 0.98 H new ATOM 0 HB3 LEU A 20 1.928 -5.451 -1.160 1.00 0.98 H new ATOM 0 HG LEU A 20 2.718 -3.658 -3.463 1.00 0.98 H new ATOM 0 HD11 LEU A 20 0.249 -3.994 -4.019 1.00 2.07 H new ATOM 0 HD12 LEU A 20 1.110 -5.550 -3.949 1.00 2.07 H new ATOM 0 HD13 LEU A 20 0.096 -5.032 -2.581 1.00 2.07 H new ATOM 0 HD21 LEU A 20 1.017 -2.065 -2.726 1.00 1.31 H new ATOM 0 HD22 LEU A 20 0.778 -3.010 -1.237 1.00 1.31 H new ATOM 0 HD23 LEU A 20 2.344 -2.226 -1.552 1.00 1.31 H new ATOM 291 N THR A 21 5.617 -4.505 -2.613 1.00 0.88 N ATOM 292 CA THR A 21 6.458 -3.990 -3.696 1.00 0.94 C ATOM 293 C THR A 21 5.598 -3.772 -4.931 1.00 1.05 C ATOM 294 O THR A 21 4.660 -4.528 -5.185 1.00 1.34 O ATOM 295 CB THR A 21 7.576 -4.989 -4.016 1.00 1.03 C ATOM 296 OG1 THR A 21 8.304 -5.189 -2.837 1.00 1.16 O ATOM 297 CG2 THR A 21 8.566 -4.526 -5.088 1.00 1.15 C ATOM 0 H THR A 21 5.645 -5.523 -2.548 1.00 0.88 H new ATOM 0 HA THR A 21 6.908 -3.047 -3.387 1.00 0.94 H new ATOM 0 HB THR A 21 7.092 -5.886 -4.404 1.00 1.03 H new ATOM 0 HG1 THR A 21 9.118 -5.696 -3.037 1.00 1.16 H new ATOM 0 HG21 THR A 21 9.319 -5.298 -5.246 1.00 1.15 H new ATOM 0 HG22 THR A 21 8.033 -4.343 -6.021 1.00 1.15 H new ATOM 0 HG23 THR A 21 9.052 -3.606 -4.762 1.00 1.15 H new ATOM 305 N LEU A 22 6.001 -2.795 -5.739 1.00 0.91 N ATOM 306 CA LEU A 22 5.742 -2.754 -7.178 1.00 0.88 C ATOM 307 C LEU A 22 6.927 -2.125 -7.933 1.00 0.78 C ATOM 308 O LEU A 22 7.893 -1.653 -7.329 1.00 0.82 O ATOM 309 CB LEU A 22 4.406 -2.059 -7.475 1.00 1.29 C ATOM 310 CG LEU A 22 3.680 -2.848 -8.586 1.00 2.07 C ATOM 311 CD1 LEU A 22 2.911 -4.053 -8.024 1.00 3.90 C ATOM 312 CD2 LEU A 22 2.772 -1.915 -9.359 1.00 2.01 C ATOM 0 H LEU A 22 6.530 -1.989 -5.404 1.00 0.91 H new ATOM 0 HA LEU A 22 5.648 -3.776 -7.546 1.00 0.88 H new ATOM 0 HB2 LEU A 22 3.792 -2.019 -6.576 1.00 1.29 H new ATOM 0 HB3 LEU A 22 4.576 -1.030 -7.791 1.00 1.29 H new ATOM 0 HG LEU A 22 4.427 -3.254 -9.268 1.00 2.07 H new ATOM 0 HD11 LEU A 22 2.415 -4.580 -8.839 1.00 3.90 H new ATOM 0 HD12 LEU A 22 3.606 -4.728 -7.525 1.00 3.90 H new ATOM 0 HD13 LEU A 22 2.165 -3.707 -7.308 1.00 3.90 H new ATOM 0 HD21 LEU A 22 2.260 -2.473 -10.143 1.00 2.01 H new ATOM 0 HD22 LEU A 22 2.036 -1.481 -8.683 1.00 2.01 H new ATOM 0 HD23 LEU A 22 3.366 -1.119 -9.809 1.00 2.01 H new ATOM 324 N GLU A 23 6.856 -2.095 -9.261 1.00 0.97 N ATOM 325 CA GLU A 23 7.844 -1.439 -10.105 1.00 1.16 C ATOM 326 C GLU A 23 7.245 -1.024 -11.444 1.00 1.10 C ATOM 327 O GLU A 23 6.213 -1.537 -11.873 1.00 1.23 O ATOM 328 CB GLU A 23 9.082 -2.327 -10.318 1.00 1.51 C ATOM 329 CG GLU A 23 8.823 -3.614 -11.107 1.00 1.71 C ATOM 330 CD GLU A 23 10.153 -4.166 -11.598 1.00 2.52 C ATOM 331 OE1 GLU A 23 10.569 -3.731 -12.694 1.00 3.71 O ATOM 332 OE2 GLU A 23 10.749 -4.966 -10.846 1.00 2.59 O ATOM 0 H GLU A 23 6.099 -2.533 -9.786 1.00 0.97 H new ATOM 0 HA GLU A 23 8.163 -0.537 -9.583 1.00 1.16 H new ATOM 0 HB2 GLU A 23 9.843 -1.746 -10.838 1.00 1.51 H new ATOM 0 HB3 GLU A 23 9.494 -2.592 -9.344 1.00 1.51 H new ATOM 0 HG2 GLU A 23 8.320 -4.348 -10.477 1.00 1.71 H new ATOM 0 HG3 GLU A 23 8.164 -3.413 -11.951 1.00 1.71 H new ATOM 339 N ASN A 24 7.939 -0.111 -12.112 1.00 1.02 N ATOM 340 CA ASN A 24 7.685 0.322 -13.472 1.00 0.99 C ATOM 341 C ASN A 24 8.871 -0.085 -14.375 1.00 1.17 C ATOM 342 O ASN A 24 9.899 0.605 -14.367 1.00 1.31 O ATOM 343 CB ASN A 24 7.498 1.838 -13.449 1.00 0.92 C ATOM 344 CG ASN A 24 7.199 2.402 -14.824 1.00 1.00 C ATOM 345 OD1 ASN A 24 6.869 1.695 -15.768 1.00 1.19 O ATOM 346 ND2 ASN A 24 7.298 3.705 -14.946 1.00 1.06 N ATOM 0 H ASN A 24 8.735 0.370 -11.694 1.00 1.02 H new ATOM 0 HA ASN A 24 6.788 -0.148 -13.875 1.00 0.99 H new ATOM 0 HB2 ASN A 24 6.684 2.091 -12.770 1.00 0.92 H new ATOM 0 HB3 ASN A 24 8.399 2.307 -13.055 1.00 0.92 H new ATOM 0 HD21 ASN A 24 7.098 4.150 -15.842 1.00 1.06 H new ATOM 0 HD22 ASN A 24 7.575 4.273 -14.145 1.00 1.06 H new ATOM 353 N PRO A 25 8.738 -1.168 -15.165 1.00 1.25 N ATOM 354 CA PRO A 25 9.730 -1.577 -16.157 1.00 1.41 C ATOM 355 C PRO A 25 9.624 -0.791 -17.478 1.00 1.36 C ATOM 356 O PRO A 25 10.439 -1.007 -18.373 1.00 1.40 O ATOM 357 CB PRO A 25 9.461 -3.071 -16.368 1.00 1.56 C ATOM 358 CG PRO A 25 7.946 -3.166 -16.192 1.00 1.44 C ATOM 359 CD PRO A 25 7.669 -2.154 -15.086 1.00 1.26 C ATOM 0 HA PRO A 25 10.743 -1.374 -15.810 1.00 1.41 H new ATOM 0 HB2 PRO A 25 9.776 -3.404 -17.357 1.00 1.56 H new ATOM 0 HB3 PRO A 25 9.993 -3.685 -15.641 1.00 1.56 H new ATOM 0 HG2 PRO A 25 7.416 -2.916 -17.111 1.00 1.44 H new ATOM 0 HG3 PRO A 25 7.634 -4.171 -15.908 1.00 1.44 H new ATOM 0 HD2 PRO A 25 6.695 -1.685 -15.222 1.00 1.26 H new ATOM 0 HD3 PRO A 25 7.656 -2.638 -14.109 1.00 1.26 H new ATOM 367 N GLY A 26 8.646 0.116 -17.621 1.00 1.29 N ATOM 368 CA GLY A 26 8.434 0.936 -18.818 1.00 1.32 C ATOM 369 C GLY A 26 9.296 2.197 -18.860 1.00 1.35 C ATOM 370 O GLY A 26 10.216 2.375 -18.060 1.00 1.49 O ATOM 0 H GLY A 26 7.964 0.303 -16.886 1.00 1.29 H new ATOM 0 HA2 GLY A 26 8.644 0.334 -19.702 1.00 1.32 H new ATOM 0 HA3 GLY A 26 7.384 1.223 -18.870 1.00 1.32 H new ATOM 374 N ASP A 27 9.012 3.041 -19.853 1.00 1.37 N ATOM 375 CA ASP A 27 9.823 4.207 -20.254 1.00 1.42 C ATOM 376 C ASP A 27 9.059 5.544 -20.129 1.00 1.28 C ATOM 377 O ASP A 27 9.602 6.612 -20.401 1.00 1.26 O ATOM 378 CB ASP A 27 10.353 3.954 -21.675 1.00 1.59 C ATOM 379 CG ASP A 27 11.274 2.733 -21.666 1.00 2.37 C ATOM 380 OD1 ASP A 27 12.475 2.890 -21.351 1.00 3.79 O ATOM 381 OD2 ASP A 27 10.771 1.594 -21.781 1.00 2.54 O ATOM 0 H ASP A 27 8.177 2.932 -20.428 1.00 1.37 H new ATOM 0 HA ASP A 27 10.663 4.314 -19.568 1.00 1.42 H new ATOM 0 HB2 ASP A 27 9.522 3.791 -22.361 1.00 1.59 H new ATOM 0 HB3 ASP A 27 10.895 4.829 -22.034 1.00 1.59 H new ATOM 386 N LEU A 28 7.815 5.485 -19.642 1.00 1.24 N ATOM 387 CA LEU A 28 7.018 6.617 -19.169 1.00 1.20 C ATOM 388 C LEU A 28 6.692 6.424 -17.668 1.00 1.11 C ATOM 389 O LEU A 28 6.825 5.299 -17.183 1.00 1.12 O ATOM 390 CB LEU A 28 5.799 6.770 -20.103 1.00 1.27 C ATOM 391 CG LEU A 28 4.773 5.617 -20.138 1.00 1.24 C ATOM 392 CD1 LEU A 28 3.862 5.592 -18.900 1.00 1.59 C ATOM 393 CD2 LEU A 28 3.889 5.779 -21.385 1.00 1.35 C ATOM 0 H LEU A 28 7.313 4.600 -19.564 1.00 1.24 H new ATOM 0 HA LEU A 28 7.557 7.563 -19.218 1.00 1.20 H new ATOM 0 HB2 LEU A 28 5.271 7.680 -19.819 1.00 1.27 H new ATOM 0 HB3 LEU A 28 6.170 6.920 -21.117 1.00 1.27 H new ATOM 0 HG LEU A 28 5.335 4.683 -20.157 1.00 1.24 H new ATOM 0 HD11 LEU A 28 3.162 4.761 -18.980 1.00 1.59 H new ATOM 0 HD12 LEU A 28 4.470 5.469 -18.003 1.00 1.59 H new ATOM 0 HD13 LEU A 28 3.308 6.528 -18.837 1.00 1.59 H new ATOM 0 HD21 LEU A 28 3.159 4.970 -21.421 1.00 1.35 H new ATOM 0 HD22 LEU A 28 3.368 6.736 -21.340 1.00 1.35 H new ATOM 0 HD23 LEU A 28 4.512 5.747 -22.279 1.00 1.35 H new ATOM 405 N PRO A 29 6.305 7.469 -16.910 1.00 1.06 N ATOM 406 CA PRO A 29 6.112 7.378 -15.464 1.00 0.99 C ATOM 407 C PRO A 29 4.719 6.812 -15.124 1.00 0.95 C ATOM 408 O PRO A 29 3.776 6.980 -15.899 1.00 1.05 O ATOM 409 CB PRO A 29 6.269 8.812 -14.952 1.00 1.02 C ATOM 410 CG PRO A 29 5.746 9.656 -16.115 1.00 1.09 C ATOM 411 CD PRO A 29 6.091 8.836 -17.362 1.00 1.12 C ATOM 0 HA PRO A 29 6.829 6.701 -14.999 1.00 0.99 H new ATOM 0 HB2 PRO A 29 5.694 8.980 -14.042 1.00 1.02 H new ATOM 0 HB3 PRO A 29 7.308 9.046 -14.720 1.00 1.02 H new ATOM 0 HG2 PRO A 29 4.672 9.824 -16.034 1.00 1.09 H new ATOM 0 HG3 PRO A 29 6.221 10.637 -16.140 1.00 1.09 H new ATOM 0 HD2 PRO A 29 5.283 8.881 -18.092 1.00 1.12 H new ATOM 0 HD3 PRO A 29 6.984 9.228 -17.850 1.00 1.12 H new ATOM 419 N LEU A 30 4.567 6.193 -13.945 1.00 0.85 N ATOM 420 CA LEU A 30 3.275 5.725 -13.424 1.00 0.86 C ATOM 421 C LEU A 30 2.793 6.605 -12.273 1.00 0.87 C ATOM 422 O LEU A 30 3.596 7.191 -11.553 1.00 1.19 O ATOM 423 CB LEU A 30 3.346 4.273 -12.932 1.00 0.87 C ATOM 424 CG LEU A 30 3.770 3.252 -13.986 1.00 1.15 C ATOM 425 CD1 LEU A 30 3.539 1.835 -13.457 1.00 1.66 C ATOM 426 CD2 LEU A 30 3.076 3.354 -15.345 1.00 2.25 C ATOM 0 H LEU A 30 5.348 6.001 -13.318 1.00 0.85 H new ATOM 0 HA LEU A 30 2.572 5.784 -14.255 1.00 0.86 H new ATOM 0 HB2 LEU A 30 4.045 4.222 -12.097 1.00 0.87 H new ATOM 0 HB3 LEU A 30 2.367 3.988 -12.546 1.00 0.87 H new ATOM 0 HG LEU A 30 4.821 3.480 -14.161 1.00 1.15 H new ATOM 0 HD11 LEU A 30 3.843 1.111 -14.213 1.00 1.66 H new ATOM 0 HD12 LEU A 30 4.127 1.684 -12.552 1.00 1.66 H new ATOM 0 HD13 LEU A 30 2.482 1.700 -13.229 1.00 1.66 H new ATOM 0 HD21 LEU A 30 3.459 2.579 -16.008 1.00 2.25 H new ATOM 0 HD22 LEU A 30 2.002 3.223 -15.216 1.00 2.25 H new ATOM 0 HD23 LEU A 30 3.272 4.334 -15.781 1.00 2.25 H new ATOM 438 N ARG A 31 1.482 6.567 -12.040 1.00 0.60 N ATOM 439 CA ARG A 31 0.807 7.229 -10.906 1.00 0.55 C ATOM 440 C ARG A 31 -0.214 6.282 -10.266 1.00 0.46 C ATOM 441 O ARG A 31 -1.189 5.894 -10.913 1.00 0.44 O ATOM 442 CB ARG A 31 0.165 8.553 -11.362 1.00 0.63 C ATOM 443 CG ARG A 31 -0.203 9.476 -10.183 1.00 0.63 C ATOM 444 CD ARG A 31 -0.379 10.957 -10.564 1.00 0.94 C ATOM 445 NE ARG A 31 0.908 11.658 -10.783 1.00 1.81 N ATOM 446 CZ ARG A 31 1.264 12.463 -11.778 1.00 2.16 C ATOM 447 NH1 ARG A 31 0.462 12.738 -12.789 1.00 2.30 N ATOM 448 NH2 ARG A 31 2.455 13.010 -11.758 1.00 3.71 N ATOM 0 H ARG A 31 0.835 6.063 -12.647 1.00 0.60 H new ATOM 0 HA ARG A 31 1.546 7.473 -10.143 1.00 0.55 H new ATOM 0 HB2 ARG A 31 0.854 9.076 -12.025 1.00 0.63 H new ATOM 0 HB3 ARG A 31 -0.732 8.336 -11.941 1.00 0.63 H new ATOM 0 HG2 ARG A 31 -1.128 9.117 -9.732 1.00 0.63 H new ATOM 0 HG3 ARG A 31 0.573 9.399 -9.422 1.00 0.63 H new ATOM 0 HD2 ARG A 31 -0.981 11.024 -11.470 1.00 0.94 H new ATOM 0 HD3 ARG A 31 -0.933 11.466 -9.775 1.00 0.94 H new ATOM 0 HE ARG A 31 1.620 11.500 -10.070 1.00 1.81 H new ATOM 0 HH11 ARG A 31 -0.471 12.327 -12.826 1.00 2.30 H new ATOM 0 HH12 ARG A 31 0.775 13.362 -13.533 1.00 2.30 H new ATOM 0 HH21 ARG A 31 3.093 12.815 -10.986 1.00 3.71 H new ATOM 0 HH22 ARG A 31 2.744 13.630 -12.514 1.00 3.71 H new ATOM 462 N LEU A 32 0.051 5.877 -9.024 1.00 0.47 N ATOM 463 CA LEU A 32 -0.669 4.879 -8.229 1.00 0.41 C ATOM 464 C LEU A 32 -1.703 5.592 -7.352 1.00 0.40 C ATOM 465 O LEU A 32 -1.335 6.354 -6.471 1.00 0.50 O ATOM 466 CB LEU A 32 0.396 4.124 -7.407 1.00 0.50 C ATOM 467 CG LEU A 32 -0.091 3.261 -6.223 1.00 0.69 C ATOM 468 CD1 LEU A 32 -1.140 2.228 -6.640 1.00 0.92 C ATOM 469 CD2 LEU A 32 1.115 2.546 -5.594 1.00 0.87 C ATOM 0 H LEU A 32 0.837 6.269 -8.506 1.00 0.47 H new ATOM 0 HA LEU A 32 -1.220 4.165 -8.841 1.00 0.41 H new ATOM 0 HB2 LEU A 32 0.949 3.477 -8.088 1.00 0.50 H new ATOM 0 HB3 LEU A 32 1.103 4.858 -7.019 1.00 0.50 H new ATOM 0 HG LEU A 32 -0.566 3.926 -5.502 1.00 0.69 H new ATOM 0 HD11 LEU A 32 -1.447 1.649 -5.769 1.00 0.92 H new ATOM 0 HD12 LEU A 32 -2.006 2.739 -7.060 1.00 0.92 H new ATOM 0 HD13 LEU A 32 -0.715 1.559 -7.388 1.00 0.92 H new ATOM 0 HD21 LEU A 32 0.779 1.934 -4.757 1.00 0.87 H new ATOM 0 HD22 LEU A 32 1.591 1.910 -6.340 1.00 0.87 H new ATOM 0 HD23 LEU A 32 1.832 3.286 -5.238 1.00 0.87 H new ATOM 481 N VAL A 33 -2.989 5.342 -7.581 1.00 0.37 N ATOM 482 CA VAL A 33 -4.095 6.165 -7.048 1.00 0.43 C ATOM 483 C VAL A 33 -4.962 5.437 -6.007 1.00 0.50 C ATOM 484 O VAL A 33 -5.810 6.061 -5.377 1.00 0.71 O ATOM 485 CB VAL A 33 -4.980 6.730 -8.189 1.00 0.50 C ATOM 486 CG1 VAL A 33 -4.153 7.571 -9.183 1.00 0.60 C ATOM 487 CG2 VAL A 33 -5.715 5.639 -8.989 1.00 0.53 C ATOM 0 H VAL A 33 -3.307 4.555 -8.147 1.00 0.37 H new ATOM 0 HA VAL A 33 -3.615 6.993 -6.526 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.721 7.351 -7.685 1.00 0.50 H new ATOM 0 HG11 VAL A 33 -4.806 7.951 -9.969 1.00 0.60 H new ATOM 0 HG12 VAL A 33 -3.693 8.408 -8.657 1.00 0.60 H new ATOM 0 HG13 VAL A 33 -3.375 6.949 -9.626 1.00 0.60 H new ATOM 0 HG21 VAL A 33 -6.316 6.104 -9.771 1.00 0.53 H new ATOM 0 HG22 VAL A 33 -4.986 4.967 -9.442 1.00 0.53 H new ATOM 0 HG23 VAL A 33 -6.364 5.073 -8.321 1.00 0.53 H new ATOM 497 N GLY A 34 -4.766 4.124 -5.817 1.00 0.41 N ATOM 498 CA GLY A 34 -5.452 3.348 -4.779 1.00 0.45 C ATOM 499 C GLY A 34 -5.149 1.857 -4.859 1.00 0.40 C ATOM 500 O GLY A 34 -4.188 1.450 -5.515 1.00 0.42 O ATOM 0 H GLY A 34 -4.123 3.570 -6.383 1.00 0.41 H new ATOM 0 HA2 GLY A 34 -5.158 3.722 -3.798 1.00 0.45 H new ATOM 0 HA3 GLY A 34 -6.527 3.501 -4.869 1.00 0.45 H new ATOM 504 N ALA A 35 -5.981 1.036 -4.218 1.00 0.45 N ATOM 505 CA ALA A 35 -5.934 -0.418 -4.365 1.00 0.45 C ATOM 506 C ALA A 35 -7.329 -1.071 -4.256 1.00 0.55 C ATOM 507 O ALA A 35 -8.330 -0.363 -4.133 1.00 0.83 O ATOM 508 CB ALA A 35 -4.907 -1.005 -3.391 1.00 0.58 C ATOM 0 H ALA A 35 -6.708 1.362 -3.581 1.00 0.45 H new ATOM 0 HA ALA A 35 -5.602 -0.654 -5.376 1.00 0.45 H new ATOM 0 HB1 ALA A 35 -4.876 -2.089 -3.505 1.00 0.58 H new ATOM 0 HB2 ALA A 35 -3.923 -0.589 -3.606 1.00 0.58 H new ATOM 0 HB3 ALA A 35 -5.191 -0.755 -2.369 1.00 0.58 H new ATOM 514 N ARG A 36 -7.398 -2.411 -4.282 1.00 0.60 N ATOM 515 CA ARG A 36 -8.645 -3.174 -4.097 1.00 0.75 C ATOM 516 C ARG A 36 -8.314 -4.586 -3.620 1.00 0.74 C ATOM 517 O ARG A 36 -7.319 -5.151 -4.056 1.00 0.89 O ATOM 518 CB ARG A 36 -9.467 -3.135 -5.405 1.00 1.01 C ATOM 519 CG ARG A 36 -10.131 -4.463 -5.825 1.00 2.39 C ATOM 520 CD ARG A 36 -10.731 -4.365 -7.228 1.00 3.30 C ATOM 521 NE ARG A 36 -11.872 -3.441 -7.262 1.00 3.19 N ATOM 522 CZ ARG A 36 -12.367 -2.879 -8.358 1.00 4.28 C ATOM 523 NH1 ARG A 36 -11.890 -3.159 -9.557 1.00 5.44 N ATOM 524 NH2 ARG A 36 -13.356 -2.018 -8.246 1.00 4.99 N ATOM 0 H ARG A 36 -6.581 -3.003 -4.434 1.00 0.60 H new ATOM 0 HA ARG A 36 -9.268 -2.726 -3.323 1.00 0.75 H new ATOM 0 HB2 ARG A 36 -10.246 -2.380 -5.299 1.00 1.01 H new ATOM 0 HB3 ARG A 36 -8.813 -2.807 -6.213 1.00 1.01 H new ATOM 0 HG2 ARG A 36 -9.394 -5.265 -5.798 1.00 2.39 H new ATOM 0 HG3 ARG A 36 -10.912 -4.723 -5.111 1.00 2.39 H new ATOM 0 HD2 ARG A 36 -9.967 -4.028 -7.929 1.00 3.30 H new ATOM 0 HD3 ARG A 36 -11.052 -5.353 -7.558 1.00 3.30 H new ATOM 0 HE ARG A 36 -12.319 -3.213 -6.374 1.00 3.19 H new ATOM 0 HH11 ARG A 36 -11.122 -3.822 -9.658 1.00 5.44 H new ATOM 0 HH12 ARG A 36 -12.290 -2.712 -10.382 1.00 5.44 H new ATOM 0 HH21 ARG A 36 -13.732 -1.790 -7.326 1.00 4.99 H new ATOM 0 HH22 ARG A 36 -13.746 -1.578 -9.080 1.00 4.99 H new ATOM 538 N THR A 37 -9.139 -5.171 -2.749 1.00 0.72 N ATOM 539 CA THR A 37 -8.843 -6.436 -2.059 1.00 0.69 C ATOM 540 C THR A 37 -10.141 -7.166 -1.698 1.00 0.81 C ATOM 541 O THR A 37 -11.165 -6.499 -1.528 1.00 0.92 O ATOM 542 CB THR A 37 -7.982 -6.127 -0.821 1.00 0.55 C ATOM 543 OG1 THR A 37 -7.735 -7.292 -0.072 1.00 0.63 O ATOM 544 CG2 THR A 37 -8.604 -5.111 0.141 1.00 0.63 C ATOM 0 H THR A 37 -10.045 -4.777 -2.497 1.00 0.72 H new ATOM 0 HA THR A 37 -8.283 -7.105 -2.713 1.00 0.69 H new ATOM 0 HB THR A 37 -7.066 -5.704 -1.234 1.00 0.55 H new ATOM 0 HG1 THR A 37 -7.060 -7.104 0.613 1.00 0.63 H new ATOM 0 HG21 THR A 37 -7.933 -4.951 0.985 1.00 0.63 H new ATOM 0 HG22 THR A 37 -8.763 -4.167 -0.380 1.00 0.63 H new ATOM 0 HG23 THR A 37 -9.559 -5.491 0.504 1.00 0.63 H new ATOM 552 N PRO A 38 -10.129 -8.504 -1.536 1.00 0.89 N ATOM 553 CA PRO A 38 -11.254 -9.242 -0.973 1.00 1.01 C ATOM 554 C PRO A 38 -11.431 -9.035 0.534 1.00 0.88 C ATOM 555 O PRO A 38 -12.517 -9.311 1.036 1.00 1.08 O ATOM 556 CB PRO A 38 -10.946 -10.708 -1.275 1.00 1.17 C ATOM 557 CG PRO A 38 -9.424 -10.778 -1.337 1.00 1.14 C ATOM 558 CD PRO A 38 -9.075 -9.427 -1.948 1.00 0.97 C ATOM 0 HA PRO A 38 -12.190 -8.895 -1.410 1.00 1.01 H new ATOM 0 HB2 PRO A 38 -11.341 -11.364 -0.499 1.00 1.17 H new ATOM 0 HB3 PRO A 38 -11.396 -11.021 -2.217 1.00 1.17 H new ATOM 0 HG2 PRO A 38 -8.980 -10.907 -0.350 1.00 1.14 H new ATOM 0 HG3 PRO A 38 -9.078 -11.607 -1.954 1.00 1.14 H new ATOM 0 HD2 PRO A 38 -8.100 -9.084 -1.601 1.00 0.97 H new ATOM 0 HD3 PRO A 38 -9.021 -9.494 -3.035 1.00 0.97 H new ATOM 566 N VAL A 39 -10.384 -8.609 1.253 1.00 0.68 N ATOM 567 CA VAL A 39 -10.368 -8.654 2.741 1.00 0.73 C ATOM 568 C VAL A 39 -10.900 -7.390 3.424 1.00 0.82 C ATOM 569 O VAL A 39 -11.224 -7.420 4.612 1.00 1.16 O ATOM 570 CB VAL A 39 -8.988 -9.046 3.334 1.00 0.67 C ATOM 571 CG1 VAL A 39 -8.310 -10.104 2.454 1.00 0.92 C ATOM 572 CG2 VAL A 39 -8.015 -7.887 3.659 1.00 0.74 C ATOM 0 H VAL A 39 -9.533 -8.228 0.839 1.00 0.68 H new ATOM 0 HA VAL A 39 -11.073 -9.454 2.969 1.00 0.73 H new ATOM 0 HB VAL A 39 -9.227 -9.456 4.315 1.00 0.67 H new ATOM 0 HG11 VAL A 39 -7.343 -10.369 2.883 1.00 0.92 H new ATOM 0 HG12 VAL A 39 -8.940 -10.992 2.403 1.00 0.92 H new ATOM 0 HG13 VAL A 39 -8.165 -9.704 1.451 1.00 0.92 H new ATOM 0 HG21 VAL A 39 -7.089 -8.293 4.066 1.00 0.74 H new ATOM 0 HG22 VAL A 39 -7.797 -7.329 2.749 1.00 0.74 H new ATOM 0 HG23 VAL A 39 -8.473 -7.222 4.391 1.00 0.74 H new ATOM 582 N ALA A 40 -11.020 -6.282 2.686 1.00 0.69 N ATOM 583 CA ALA A 40 -11.399 -4.976 3.224 1.00 0.74 C ATOM 584 C ALA A 40 -12.038 -4.077 2.169 1.00 0.75 C ATOM 585 O ALA A 40 -11.892 -4.313 0.970 1.00 1.01 O ATOM 586 CB ALA A 40 -10.175 -4.295 3.837 1.00 1.10 C ATOM 0 H ALA A 40 -10.853 -6.270 1.680 1.00 0.69 H new ATOM 0 HA ALA A 40 -12.151 -5.142 3.996 1.00 0.74 H new ATOM 0 HB1 ALA A 40 -10.462 -3.322 4.237 1.00 1.10 H new ATOM 0 HB2 ALA A 40 -9.778 -4.915 4.641 1.00 1.10 H new ATOM 0 HB3 ALA A 40 -9.411 -4.162 3.071 1.00 1.10 H new ATOM 592 N GLU A 41 -12.781 -3.079 2.641 1.00 0.84 N ATOM 593 CA GLU A 41 -13.648 -2.243 1.825 1.00 1.05 C ATOM 594 C GLU A 41 -12.909 -0.974 1.377 1.00 1.03 C ATOM 595 O GLU A 41 -12.281 -0.968 0.313 1.00 1.34 O ATOM 596 CB GLU A 41 -14.960 -2.001 2.603 1.00 1.20 C ATOM 597 CG GLU A 41 -16.153 -1.662 1.704 1.00 1.67 C ATOM 598 CD GLU A 41 -16.409 -2.797 0.709 1.00 2.79 C ATOM 599 OE1 GLU A 41 -16.745 -3.914 1.152 1.00 3.76 O ATOM 600 OE2 GLU A 41 -16.061 -2.651 -0.481 1.00 3.67 O ATOM 0 H GLU A 41 -12.795 -2.825 3.629 1.00 0.84 H new ATOM 0 HA GLU A 41 -13.923 -2.736 0.893 1.00 1.05 H new ATOM 0 HB2 GLU A 41 -15.196 -2.891 3.186 1.00 1.20 H new ATOM 0 HB3 GLU A 41 -14.807 -1.187 3.312 1.00 1.20 H new ATOM 0 HG2 GLU A 41 -17.041 -1.497 2.314 1.00 1.67 H new ATOM 0 HG3 GLU A 41 -15.959 -0.734 1.166 1.00 1.67 H new ATOM 607 N ARG A 42 -12.901 0.097 2.186 1.00 0.88 N ATOM 608 CA ARG A 42 -12.224 1.333 1.794 1.00 0.94 C ATOM 609 C ARG A 42 -10.749 1.223 2.166 1.00 0.76 C ATOM 610 O ARG A 42 -10.340 1.593 3.264 1.00 1.42 O ATOM 611 CB ARG A 42 -12.884 2.588 2.384 1.00 1.30 C ATOM 612 CG ARG A 42 -12.341 3.839 1.666 1.00 1.72 C ATOM 613 CD ARG A 42 -12.438 5.096 2.530 1.00 1.97 C ATOM 614 NE ARG A 42 -11.909 6.265 1.811 1.00 3.05 N ATOM 615 CZ ARG A 42 -12.482 7.071 0.928 1.00 4.05 C ATOM 616 NH1 ARG A 42 -13.762 7.004 0.624 1.00 4.66 N ATOM 617 NH2 ARG A 42 -11.716 7.965 0.344 1.00 5.32 N ATOM 0 H ARG A 42 -13.350 0.129 3.101 1.00 0.88 H new ATOM 0 HA ARG A 42 -12.314 1.453 0.714 1.00 0.94 H new ATOM 0 HB2 ARG A 42 -13.966 2.531 2.269 1.00 1.30 H new ATOM 0 HB3 ARG A 42 -12.679 2.651 3.453 1.00 1.30 H new ATOM 0 HG2 ARG A 42 -11.300 3.672 1.388 1.00 1.72 H new ATOM 0 HG3 ARG A 42 -12.897 3.994 0.741 1.00 1.72 H new ATOM 0 HD2 ARG A 42 -13.477 5.273 2.807 1.00 1.97 H new ATOM 0 HD3 ARG A 42 -11.882 4.950 3.456 1.00 1.97 H new ATOM 0 HE ARG A 42 -10.939 6.494 2.028 1.00 3.05 H new ATOM 0 HH11 ARG A 42 -14.358 6.310 1.075 1.00 4.66 H new ATOM 0 HH12 ARG A 42 -14.157 7.647 -0.062 1.00 4.66 H new ATOM 0 HH21 ARG A 42 -10.724 8.017 0.577 1.00 5.32 H new ATOM 0 HH22 ARG A 42 -12.113 8.607 -0.342 1.00 5.32 H new ATOM 631 N VAL A 43 -9.959 0.731 1.225 1.00 0.97 N ATOM 632 CA VAL A 43 -8.488 0.825 1.267 1.00 0.81 C ATOM 633 C VAL A 43 -8.013 2.249 0.900 1.00 0.76 C ATOM 634 O VAL A 43 -8.580 2.883 0.015 1.00 0.95 O ATOM 635 CB VAL A 43 -7.809 -0.286 0.434 1.00 1.13 C ATOM 636 CG1 VAL A 43 -8.372 -0.408 -0.989 1.00 1.55 C ATOM 637 CG2 VAL A 43 -6.282 -0.139 0.350 1.00 1.10 C ATOM 0 H VAL A 43 -10.313 0.249 0.399 1.00 0.97 H new ATOM 0 HA VAL A 43 -8.168 0.648 2.294 1.00 0.81 H new ATOM 0 HB VAL A 43 -8.042 -1.198 0.983 1.00 1.13 H new ATOM 0 HG11 VAL A 43 -7.852 -1.206 -1.519 1.00 1.55 H new ATOM 0 HG12 VAL A 43 -9.436 -0.638 -0.941 1.00 1.55 H new ATOM 0 HG13 VAL A 43 -8.228 0.534 -1.519 1.00 1.55 H new ATOM 0 HG21 VAL A 43 -5.871 -0.952 -0.249 1.00 1.10 H new ATOM 0 HG22 VAL A 43 -6.033 0.816 -0.114 1.00 1.10 H new ATOM 0 HG23 VAL A 43 -5.857 -0.177 1.353 1.00 1.10 H new ATOM 647 N GLU A 44 -7.002 2.752 1.621 1.00 0.61 N ATOM 648 CA GLU A 44 -6.532 4.150 1.644 1.00 0.61 C ATOM 649 C GLU A 44 -5.000 4.216 1.646 1.00 0.53 C ATOM 650 O GLU A 44 -4.376 3.702 2.574 1.00 0.57 O ATOM 651 CB GLU A 44 -7.006 4.815 2.953 1.00 0.84 C ATOM 652 CG GLU A 44 -8.374 5.487 2.826 1.00 0.69 C ATOM 653 CD GLU A 44 -8.318 6.820 2.078 1.00 2.12 C ATOM 654 OE1 GLU A 44 -7.260 7.478 2.077 1.00 3.37 O ATOM 655 OE2 GLU A 44 -9.387 7.204 1.554 1.00 3.38 O ATOM 0 H GLU A 44 -6.454 2.159 2.244 1.00 0.61 H new ATOM 0 HA GLU A 44 -6.927 4.652 0.761 1.00 0.61 H new ATOM 0 HB2 GLU A 44 -7.050 4.062 3.740 1.00 0.84 H new ATOM 0 HB3 GLU A 44 -6.271 5.558 3.263 1.00 0.84 H new ATOM 0 HG2 GLU A 44 -9.056 4.814 2.307 1.00 0.69 H new ATOM 0 HG3 GLU A 44 -8.785 5.652 3.822 1.00 0.69 H new ATOM 662 N LEU A 45 -4.382 4.859 0.647 1.00 0.52 N ATOM 663 CA LEU A 45 -2.936 5.034 0.607 1.00 0.49 C ATOM 664 C LEU A 45 -2.481 6.207 1.478 1.00 0.46 C ATOM 665 O LEU A 45 -2.791 7.373 1.219 1.00 0.42 O ATOM 666 CB LEU A 45 -2.477 5.157 -0.853 1.00 0.54 C ATOM 667 CG LEU A 45 -0.970 4.867 -0.980 1.00 0.59 C ATOM 668 CD1 LEU A 45 -0.661 4.246 -2.334 1.00 0.60 C ATOM 669 CD2 LEU A 45 -0.135 6.136 -0.883 1.00 0.83 C ATOM 0 H LEU A 45 -4.872 5.268 -0.149 1.00 0.52 H new ATOM 0 HA LEU A 45 -2.456 4.154 1.036 1.00 0.49 H new ATOM 0 HB2 LEU A 45 -3.039 4.461 -1.475 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -2.691 6.160 -1.223 1.00 0.54 H new ATOM 0 HG LEU A 45 -0.720 4.192 -0.162 1.00 0.59 H new ATOM 0 HD11 LEU A 45 0.408 4.047 -2.408 1.00 0.60 H new ATOM 0 HD12 LEU A 45 -1.212 3.311 -2.440 1.00 0.60 H new ATOM 0 HD13 LEU A 45 -0.958 4.934 -3.126 1.00 0.60 H new ATOM 0 HD21 LEU A 45 0.921 5.885 -0.978 1.00 0.83 H new ATOM 0 HD22 LEU A 45 -0.418 6.820 -1.683 1.00 0.83 H new ATOM 0 HD23 LEU A 45 -0.309 6.613 0.081 1.00 0.83 H new ATOM 681 N HIS A 46 -1.672 5.874 2.478 1.00 0.48 N ATOM 682 CA HIS A 46 -0.980 6.804 3.359 1.00 0.44 C ATOM 683 C HIS A 46 0.519 6.969 3.031 1.00 0.45 C ATOM 684 O HIS A 46 1.193 6.064 2.526 1.00 0.46 O ATOM 685 CB HIS A 46 -1.143 6.369 4.829 1.00 0.47 C ATOM 686 CG HIS A 46 -2.460 6.659 5.512 1.00 0.55 C ATOM 687 ND1 HIS A 46 -3.701 6.767 4.946 1.00 0.63 N flip ATOM 688 CD2 HIS A 46 -2.588 6.914 6.881 1.00 0.63 C flip ATOM 689 CE1 HIS A 46 -4.587 7.024 5.963 1.00 0.73 C flip ATOM 690 NE2 HIS A 46 -3.894 7.113 7.107 1.00 0.73 N flip ATOM 0 H HIS A 46 -1.472 4.900 2.706 1.00 0.48 H new ATOM 0 HA HIS A 46 -1.446 7.776 3.197 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -0.969 5.294 4.881 1.00 0.47 H new ATOM 0 HB3 HIS A 46 -0.354 6.848 5.409 1.00 0.47 H new ATOM 0 HD2 HIS A 46 -1.793 6.945 7.611 1.00 0.63 H new ATOM 0 HE1 HIS A 46 -5.656 7.135 5.859 1.00 0.73 H new ATOM 0 HE2 HIS A 46 -4.303 7.305 8.021 1.00 0.73 H new ATOM 699 N GLU A 47 1.030 8.137 3.400 1.00 0.54 N ATOM 700 CA GLU A 47 2.446 8.454 3.551 1.00 0.63 C ATOM 701 C GLU A 47 2.871 8.279 5.018 1.00 0.63 C ATOM 702 O GLU A 47 2.052 8.027 5.909 1.00 0.60 O ATOM 703 CB GLU A 47 2.689 9.900 3.071 1.00 0.80 C ATOM 704 CG GLU A 47 2.236 10.934 4.119 1.00 0.78 C ATOM 705 CD GLU A 47 2.011 12.340 3.586 1.00 1.28 C ATOM 706 OE1 GLU A 47 1.858 12.533 2.363 1.00 2.19 O ATOM 707 OE2 GLU A 47 1.870 13.246 4.443 1.00 2.47 O ATOM 0 H GLU A 47 0.433 8.935 3.615 1.00 0.54 H new ATOM 0 HA GLU A 47 3.047 7.775 2.946 1.00 0.63 H new ATOM 0 HB2 GLU A 47 3.749 10.039 2.858 1.00 0.80 H new ATOM 0 HB3 GLU A 47 2.151 10.069 2.138 1.00 0.80 H new ATOM 0 HG2 GLU A 47 1.310 10.583 4.576 1.00 0.78 H new ATOM 0 HG3 GLU A 47 2.985 10.978 4.910 1.00 0.78 H new ATOM 714 N THR A 48 4.153 8.499 5.303 1.00 0.76 N ATOM 715 CA THR A 48 4.673 8.704 6.654 1.00 0.89 C ATOM 716 C THR A 48 5.820 9.696 6.567 1.00 0.96 C ATOM 717 O THR A 48 6.857 9.410 5.971 1.00 1.02 O ATOM 718 CB THR A 48 5.088 7.387 7.295 1.00 1.05 C ATOM 719 OG1 THR A 48 3.957 6.550 7.327 1.00 1.17 O ATOM 720 CG2 THR A 48 5.609 7.573 8.719 1.00 1.19 C ATOM 0 H THR A 48 4.876 8.541 4.585 1.00 0.76 H new ATOM 0 HA THR A 48 3.896 9.111 7.301 1.00 0.89 H new ATOM 0 HB THR A 48 5.898 6.955 6.707 1.00 1.05 H new ATOM 0 HG1 THR A 48 4.226 5.629 7.125 1.00 1.17 H new ATOM 0 HG21 THR A 48 5.892 6.605 9.132 1.00 1.19 H new ATOM 0 HG22 THR A 48 6.479 8.230 8.705 1.00 1.19 H new ATOM 0 HG23 THR A 48 4.829 8.017 9.337 1.00 1.19 H new ATOM 728 N PHE A 49 5.588 10.880 7.128 1.00 1.11 N ATOM 729 CA PHE A 49 6.438 12.055 6.999 1.00 1.20 C ATOM 730 C PHE A 49 7.391 12.222 8.186 1.00 1.11 C ATOM 731 O PHE A 49 7.129 11.776 9.306 1.00 1.07 O ATOM 732 CB PHE A 49 5.552 13.304 6.811 1.00 1.29 C ATOM 733 CG PHE A 49 4.528 13.563 7.908 1.00 1.21 C ATOM 734 CD1 PHE A 49 4.913 14.141 9.136 1.00 2.38 C ATOM 735 CD2 PHE A 49 3.178 13.219 7.703 1.00 2.14 C ATOM 736 CE1 PHE A 49 3.963 14.358 10.150 1.00 2.43 C ATOM 737 CE2 PHE A 49 2.230 13.436 8.714 1.00 2.09 C ATOM 738 CZ PHE A 49 2.621 14.006 9.933 1.00 1.23 C ATOM 0 H PHE A 49 4.767 11.051 7.709 1.00 1.11 H new ATOM 0 HA PHE A 49 7.071 11.923 6.122 1.00 1.20 H new ATOM 0 HB2 PHE A 49 6.200 14.177 6.732 1.00 1.29 H new ATOM 0 HB3 PHE A 49 5.024 13.212 5.862 1.00 1.29 H new ATOM 0 HD1 PHE A 49 5.944 14.419 9.298 1.00 2.38 H new ATOM 0 HD2 PHE A 49 2.871 12.786 6.763 1.00 2.14 H new ATOM 0 HE1 PHE A 49 4.264 14.793 11.091 1.00 2.43 H new ATOM 0 HE2 PHE A 49 1.197 13.163 8.553 1.00 2.09 H new ATOM 0 HZ PHE A 49 1.888 14.175 10.708 1.00 1.23 H new ATOM 748 N MET A 50 8.470 12.968 7.947 1.00 1.18 N ATOM 749 CA MET A 50 9.325 13.544 8.987 1.00 1.15 C ATOM 750 C MET A 50 8.985 15.031 9.143 1.00 1.12 C ATOM 751 O MET A 50 8.602 15.685 8.174 1.00 1.40 O ATOM 752 CB MET A 50 10.810 13.374 8.625 1.00 1.47 C ATOM 753 CG MET A 50 11.318 11.922 8.677 1.00 1.91 C ATOM 754 SD MET A 50 10.667 10.726 7.475 1.00 3.76 S ATOM 755 CE MET A 50 11.135 11.507 5.911 1.00 3.63 C ATOM 0 H MET A 50 8.782 13.194 7.003 1.00 1.18 H new ATOM 0 HA MET A 50 9.147 13.024 9.928 1.00 1.15 H new ATOM 0 HB2 MET A 50 10.973 13.767 7.622 1.00 1.47 H new ATOM 0 HB3 MET A 50 11.408 13.979 9.306 1.00 1.47 H new ATOM 0 HG2 MET A 50 12.402 11.947 8.564 1.00 1.91 H new ATOM 0 HG3 MET A 50 11.110 11.535 9.674 1.00 1.91 H new ATOM 0 HE1 MET A 50 10.946 10.817 5.089 1.00 3.63 H new ATOM 0 HE2 MET A 50 10.547 12.413 5.766 1.00 3.63 H new ATOM 0 HE3 MET A 50 12.194 11.762 5.934 1.00 3.63 H new ATOM 765 N ARG A 51 9.116 15.565 10.359 1.00 1.05 N ATOM 766 CA ARG A 51 8.735 16.926 10.731 1.00 1.06 C ATOM 767 C ARG A 51 9.481 17.355 11.998 1.00 1.08 C ATOM 768 O ARG A 51 9.665 16.538 12.899 1.00 1.28 O ATOM 769 CB ARG A 51 7.209 16.934 10.942 1.00 1.25 C ATOM 770 CG ARG A 51 6.674 18.247 11.516 1.00 2.56 C ATOM 771 CD ARG A 51 5.152 18.219 11.601 1.00 3.10 C ATOM 772 NE ARG A 51 4.648 19.483 12.165 1.00 4.29 N ATOM 773 CZ ARG A 51 3.444 20.020 11.982 1.00 5.11 C ATOM 774 NH1 ARG A 51 2.511 19.412 11.273 1.00 5.23 N ATOM 775 NH2 ARG A 51 3.151 21.189 12.512 1.00 6.25 N ATOM 0 H ARG A 51 9.506 15.039 11.141 1.00 1.05 H new ATOM 0 HA ARG A 51 9.002 17.637 9.950 1.00 1.06 H new ATOM 0 HB2 ARG A 51 6.718 16.738 9.989 1.00 1.25 H new ATOM 0 HB3 ARG A 51 6.940 16.118 11.613 1.00 1.25 H new ATOM 0 HG2 ARG A 51 7.095 18.414 12.507 1.00 2.56 H new ATOM 0 HG3 ARG A 51 6.993 19.080 10.889 1.00 2.56 H new ATOM 0 HD2 ARG A 51 4.728 18.061 10.609 1.00 3.10 H new ATOM 0 HD3 ARG A 51 4.831 17.382 12.222 1.00 3.10 H new ATOM 0 HE ARG A 51 5.292 20.003 12.761 1.00 4.29 H new ATOM 0 HH11 ARG A 51 2.704 18.505 10.848 1.00 5.23 H new ATOM 0 HH12 ARG A 51 1.598 19.849 11.151 1.00 5.23 H new ATOM 0 HH21 ARG A 51 3.848 21.687 13.066 1.00 6.25 H new ATOM 0 HH22 ARG A 51 2.227 21.597 12.369 1.00 6.25 H new ATOM 789 N GLU A 52 9.814 18.638 12.111 1.00 1.14 N ATOM 790 CA GLU A 52 10.238 19.233 13.378 1.00 1.26 C ATOM 791 C GLU A 52 9.059 19.900 14.090 1.00 1.47 C ATOM 792 O GLU A 52 8.181 20.481 13.449 1.00 1.75 O ATOM 793 CB GLU A 52 11.387 20.233 13.160 1.00 1.64 C ATOM 794 CG GLU A 52 12.749 19.602 13.463 1.00 2.30 C ATOM 795 CD GLU A 52 13.113 18.470 12.507 1.00 2.97 C ATOM 796 OE1 GLU A 52 12.592 17.342 12.657 1.00 3.66 O ATOM 797 OE2 GLU A 52 14.001 18.649 11.653 1.00 3.76 O ATOM 0 H GLU A 52 9.798 19.294 11.330 1.00 1.14 H new ATOM 0 HA GLU A 52 10.608 18.432 14.018 1.00 1.26 H new ATOM 0 HB2 GLU A 52 11.371 20.587 12.129 1.00 1.64 H new ATOM 0 HB3 GLU A 52 11.239 21.104 13.799 1.00 1.64 H new ATOM 0 HG2 GLU A 52 13.518 20.373 13.413 1.00 2.30 H new ATOM 0 HG3 GLU A 52 12.746 19.220 14.484 1.00 2.30 H new ATOM 804 N VAL A 53 9.077 19.841 15.422 1.00 1.52 N ATOM 805 CA VAL A 53 8.230 20.652 16.313 1.00 1.92 C ATOM 806 C VAL A 53 9.103 21.080 17.493 1.00 2.13 C ATOM 807 O VAL A 53 9.678 20.228 18.162 1.00 3.13 O ATOM 808 CB VAL A 53 6.982 19.882 16.814 1.00 2.04 C ATOM 809 CG1 VAL A 53 6.120 20.775 17.724 1.00 2.92 C ATOM 810 CG2 VAL A 53 6.095 19.389 15.654 1.00 2.19 C ATOM 0 H VAL A 53 9.697 19.211 15.931 1.00 1.52 H new ATOM 0 HA VAL A 53 7.848 21.512 15.764 1.00 1.92 H new ATOM 0 HB VAL A 53 7.358 19.020 17.366 1.00 2.04 H new ATOM 0 HG11 VAL A 53 5.249 20.215 18.064 1.00 2.92 H new ATOM 0 HG12 VAL A 53 6.708 21.091 18.586 1.00 2.92 H new ATOM 0 HG13 VAL A 53 5.792 21.653 17.167 1.00 2.92 H new ATOM 0 HG21 VAL A 53 5.234 18.856 16.056 1.00 2.19 H new ATOM 0 HG22 VAL A 53 5.753 20.243 15.070 1.00 2.19 H new ATOM 0 HG23 VAL A 53 6.671 18.719 15.015 1.00 2.19 H new ATOM 820 N GLU A 54 9.259 22.395 17.696 1.00 2.54 N ATOM 821 CA GLU A 54 10.180 22.979 18.690 1.00 2.72 C ATOM 822 C GLU A 54 11.636 22.505 18.436 1.00 2.34 C ATOM 823 O GLU A 54 12.396 22.210 19.352 1.00 2.35 O ATOM 824 CB GLU A 54 9.629 22.720 20.115 1.00 2.99 C ATOM 825 CG GLU A 54 10.055 23.733 21.195 1.00 3.78 C ATOM 826 CD GLU A 54 11.263 23.269 22.003 1.00 4.24 C ATOM 827 OE1 GLU A 54 11.174 22.220 22.680 1.00 3.88 O ATOM 828 OE2 GLU A 54 12.339 23.896 21.914 1.00 5.42 O ATOM 0 H GLU A 54 8.742 23.097 17.167 1.00 2.54 H new ATOM 0 HA GLU A 54 10.232 24.063 18.587 1.00 2.72 H new ATOM 0 HB2 GLU A 54 8.540 22.707 20.066 1.00 2.99 H new ATOM 0 HB3 GLU A 54 9.946 21.726 20.431 1.00 2.99 H new ATOM 0 HG2 GLU A 54 10.287 24.686 20.720 1.00 3.78 H new ATOM 0 HG3 GLU A 54 9.218 23.909 21.871 1.00 3.78 H new ATOM 835 N GLY A 55 12.007 22.298 17.164 1.00 2.18 N ATOM 836 CA GLY A 55 13.310 21.743 16.759 1.00 2.13 C ATOM 837 C GLY A 55 13.487 20.248 17.058 1.00 1.78 C ATOM 838 O GLY A 55 14.438 19.635 16.583 1.00 2.11 O ATOM 0 H GLY A 55 11.401 22.515 16.373 1.00 2.18 H new ATOM 0 HA2 GLY A 55 13.443 21.905 15.689 1.00 2.13 H new ATOM 0 HA3 GLY A 55 14.100 22.298 17.265 1.00 2.13 H new ATOM 842 N LYS A 56 12.576 19.631 17.816 1.00 1.43 N ATOM 843 CA LYS A 56 12.569 18.209 18.124 1.00 1.42 C ATOM 844 C LYS A 56 12.019 17.406 16.933 1.00 1.32 C ATOM 845 O LYS A 56 11.055 17.827 16.283 1.00 1.21 O ATOM 846 CB LYS A 56 11.734 17.973 19.398 1.00 1.54 C ATOM 847 CG LYS A 56 11.945 18.955 20.570 1.00 2.08 C ATOM 848 CD LYS A 56 13.393 19.045 21.086 1.00 2.28 C ATOM 849 CE LYS A 56 13.484 20.071 22.227 1.00 2.95 C ATOM 850 NZ LYS A 56 13.598 21.463 21.730 1.00 4.08 N ATOM 0 H LYS A 56 11.797 20.131 18.245 1.00 1.43 H new ATOM 0 HA LYS A 56 13.587 17.865 18.306 1.00 1.42 H new ATOM 0 HB2 LYS A 56 10.680 17.999 19.121 1.00 1.54 H new ATOM 0 HB3 LYS A 56 11.944 16.966 19.758 1.00 1.54 H new ATOM 0 HG2 LYS A 56 11.624 19.948 20.255 1.00 2.08 H new ATOM 0 HG3 LYS A 56 11.298 18.658 21.395 1.00 2.08 H new ATOM 0 HD2 LYS A 56 13.723 18.068 21.438 1.00 2.28 H new ATOM 0 HD3 LYS A 56 14.060 19.333 20.273 1.00 2.28 H new ATOM 0 HE2 LYS A 56 12.600 19.986 22.860 1.00 2.95 H new ATOM 0 HE3 LYS A 56 14.347 19.840 22.852 1.00 2.95 H new ATOM 0 HZ1 LYS A 56 13.008 22.089 22.314 1.00 4.08 H new ATOM 0 HZ2 LYS A 56 14.590 21.771 21.785 1.00 4.08 H new ATOM 0 HZ3 LYS A 56 13.277 21.506 20.742 1.00 4.08 H new ATOM 864 N LYS A 57 12.626 16.249 16.646 1.00 1.56 N ATOM 865 CA LYS A 57 12.223 15.358 15.547 1.00 1.60 C ATOM 866 C LYS A 57 10.865 14.688 15.853 1.00 1.36 C ATOM 867 O LYS A 57 10.698 14.132 16.934 1.00 1.75 O ATOM 868 CB LYS A 57 13.305 14.276 15.325 1.00 2.29 C ATOM 869 CG LYS A 57 14.767 14.756 15.193 1.00 2.88 C ATOM 870 CD LYS A 57 15.044 15.739 14.047 1.00 2.79 C ATOM 871 CE LYS A 57 14.748 15.122 12.672 1.00 3.14 C ATOM 872 NZ LYS A 57 14.883 16.124 11.590 1.00 3.32 N ATOM 0 H LYS A 57 13.423 15.898 17.177 1.00 1.56 H new ATOM 0 HA LYS A 57 12.116 15.955 14.641 1.00 1.60 H new ATOM 0 HB2 LYS A 57 13.254 13.572 16.156 1.00 2.29 H new ATOM 0 HB3 LYS A 57 13.049 13.722 14.422 1.00 2.29 H new ATOM 0 HG2 LYS A 57 15.061 15.227 16.131 1.00 2.88 H new ATOM 0 HG3 LYS A 57 15.406 13.883 15.061 1.00 2.88 H new ATOM 0 HD2 LYS A 57 14.435 16.633 14.181 1.00 2.79 H new ATOM 0 HD3 LYS A 57 16.086 16.055 14.085 1.00 2.79 H new ATOM 0 HE2 LYS A 57 15.431 14.292 12.489 1.00 3.14 H new ATOM 0 HE3 LYS A 57 13.738 14.711 12.666 1.00 3.14 H new ATOM 0 HZ1 LYS A 57 14.060 16.065 10.957 1.00 3.32 H new ATOM 0 HZ2 LYS A 57 14.934 17.077 12.004 1.00 3.32 H new ATOM 0 HZ3 LYS A 57 15.750 15.935 11.048 1.00 3.32 H new ATOM 886 N VAL A 58 9.929 14.720 14.905 1.00 1.12 N ATOM 887 CA VAL A 58 8.587 14.112 14.971 1.00 1.19 C ATOM 888 C VAL A 58 8.295 13.379 13.654 1.00 1.06 C ATOM 889 O VAL A 58 8.731 13.815 12.588 1.00 1.07 O ATOM 890 CB VAL A 58 7.504 15.191 15.235 1.00 1.56 C ATOM 891 CG1 VAL A 58 6.075 14.622 15.280 1.00 1.87 C ATOM 892 CG2 VAL A 58 7.762 15.950 16.549 1.00 2.13 C ATOM 0 H VAL A 58 10.089 15.196 14.017 1.00 1.12 H new ATOM 0 HA VAL A 58 8.563 13.401 15.797 1.00 1.19 H new ATOM 0 HB VAL A 58 7.579 15.872 14.387 1.00 1.56 H new ATOM 0 HG11 VAL A 58 5.368 15.430 15.468 1.00 1.87 H new ATOM 0 HG12 VAL A 58 5.841 14.150 14.326 1.00 1.87 H new ATOM 0 HG13 VAL A 58 6.003 13.883 16.078 1.00 1.87 H new ATOM 0 HG21 VAL A 58 6.982 16.696 16.697 1.00 2.13 H new ATOM 0 HG22 VAL A 58 7.755 15.247 17.382 1.00 2.13 H new ATOM 0 HG23 VAL A 58 8.732 16.444 16.499 1.00 2.13 H new ATOM 902 N MET A 59 7.545 12.276 13.717 1.00 1.21 N ATOM 903 CA MET A 59 7.011 11.560 12.550 1.00 1.19 C ATOM 904 C MET A 59 5.505 11.332 12.692 1.00 1.13 C ATOM 905 O MET A 59 5.000 11.179 13.803 1.00 1.26 O ATOM 906 CB MET A 59 7.728 10.213 12.348 1.00 1.32 C ATOM 907 CG MET A 59 9.209 10.376 11.982 1.00 1.91 C ATOM 908 SD MET A 59 10.326 10.670 13.381 1.00 2.93 S ATOM 909 CE MET A 59 11.718 11.365 12.473 1.00 3.63 C ATOM 0 H MET A 59 7.284 11.843 14.603 1.00 1.21 H new ATOM 0 HA MET A 59 7.191 12.183 11.674 1.00 1.19 H new ATOM 0 HB2 MET A 59 7.647 9.623 13.261 1.00 1.32 H new ATOM 0 HB3 MET A 59 7.224 9.653 11.561 1.00 1.32 H new ATOM 0 HG2 MET A 59 9.538 9.478 11.458 1.00 1.91 H new ATOM 0 HG3 MET A 59 9.304 11.206 11.282 1.00 1.91 H new ATOM 0 HE1 MET A 59 12.519 11.614 13.169 1.00 3.63 H new ATOM 0 HE2 MET A 59 12.081 10.636 11.749 1.00 3.63 H new ATOM 0 HE3 MET A 59 11.398 12.267 11.951 1.00 3.63 H new ATOM 919 N GLY A 60 4.781 11.302 11.569 1.00 1.07 N ATOM 920 CA GLY A 60 3.336 11.026 11.531 1.00 1.07 C ATOM 921 C GLY A 60 2.856 10.569 10.157 1.00 0.98 C ATOM 922 O GLY A 60 3.659 10.468 9.234 1.00 0.95 O ATOM 0 H GLY A 60 5.184 11.470 10.647 1.00 1.07 H new ATOM 0 HA2 GLY A 60 3.098 10.258 12.267 1.00 1.07 H new ATOM 0 HA3 GLY A 60 2.792 11.925 11.820 1.00 1.07 H new ATOM 926 N MET A 61 1.554 10.295 10.015 1.00 1.06 N ATOM 927 CA MET A 61 0.958 9.706 8.803 1.00 0.95 C ATOM 928 C MET A 61 -0.236 10.527 8.292 1.00 0.93 C ATOM 929 O MET A 61 -0.958 11.144 9.073 1.00 1.01 O ATOM 930 CB MET A 61 0.517 8.252 9.075 1.00 0.94 C ATOM 931 CG MET A 61 1.618 7.392 9.715 1.00 1.11 C ATOM 932 SD MET A 61 1.743 7.514 11.522 1.00 1.87 S ATOM 933 CE MET A 61 3.493 7.107 11.731 1.00 2.32 C ATOM 0 H MET A 61 0.871 10.478 10.750 1.00 1.06 H new ATOM 0 HA MET A 61 1.724 9.715 8.028 1.00 0.95 H new ATOM 0 HB2 MET A 61 -0.354 8.261 9.730 1.00 0.94 H new ATOM 0 HB3 MET A 61 0.206 7.792 8.137 1.00 0.94 H new ATOM 0 HG2 MET A 61 1.443 6.350 9.449 1.00 1.11 H new ATOM 0 HG3 MET A 61 2.577 7.676 9.281 1.00 1.11 H new ATOM 0 HE1 MET A 61 3.665 6.753 12.748 1.00 2.32 H new ATOM 0 HE2 MET A 61 3.772 6.327 11.023 1.00 2.32 H new ATOM 0 HE3 MET A 61 4.097 7.995 11.549 1.00 2.32 H new ATOM 943 N ARG A 62 -0.454 10.518 6.974 1.00 0.92 N ATOM 944 CA ARG A 62 -1.626 11.094 6.297 1.00 0.83 C ATOM 945 C ARG A 62 -2.016 10.189 5.123 1.00 0.59 C ATOM 946 O ARG A 62 -1.097 9.695 4.469 1.00 0.56 O ATOM 947 CB ARG A 62 -1.291 12.447 5.648 1.00 1.03 C ATOM 948 CG ARG A 62 -1.231 13.676 6.564 1.00 1.77 C ATOM 949 CD ARG A 62 -0.717 14.914 5.801 1.00 1.51 C ATOM 950 NE ARG A 62 -1.546 15.225 4.614 1.00 2.09 N ATOM 951 CZ ARG A 62 -1.276 14.899 3.349 1.00 2.53 C ATOM 952 NH1 ARG A 62 -0.117 14.417 2.975 1.00 2.90 N ATOM 953 NH2 ARG A 62 -2.198 15.034 2.419 1.00 3.52 N ATOM 0 H ARG A 62 0.205 10.093 6.321 1.00 0.92 H new ATOM 0 HA ARG A 62 -2.410 11.199 7.047 1.00 0.83 H new ATOM 0 HB2 ARG A 62 -0.326 12.351 5.150 1.00 1.03 H new ATOM 0 HB3 ARG A 62 -2.032 12.641 4.873 1.00 1.03 H new ATOM 0 HG2 ARG A 62 -2.222 13.880 6.969 1.00 1.77 H new ATOM 0 HG3 ARG A 62 -0.577 13.470 7.411 1.00 1.77 H new ATOM 0 HD2 ARG A 62 -0.708 15.774 6.471 1.00 1.51 H new ATOM 0 HD3 ARG A 62 0.313 14.744 5.488 1.00 1.51 H new ATOM 0 HE ARG A 62 -2.410 15.740 4.780 1.00 2.09 H new ATOM 0 HH11 ARG A 62 0.623 14.277 3.663 1.00 2.90 H new ATOM 0 HH12 ARG A 62 0.045 14.181 1.996 1.00 2.90 H new ATOM 0 HH21 ARG A 62 -3.122 15.389 2.665 1.00 3.52 H new ATOM 0 HH22 ARG A 62 -1.988 14.784 1.453 1.00 3.52 H new ATOM 967 N PRO A 63 -3.304 10.064 4.758 1.00 0.54 N ATOM 968 CA PRO A 63 -3.681 9.627 3.423 1.00 0.54 C ATOM 969 C PRO A 63 -3.306 10.681 2.378 1.00 0.68 C ATOM 970 O PRO A 63 -3.271 11.879 2.668 1.00 0.77 O ATOM 971 CB PRO A 63 -5.180 9.353 3.453 1.00 0.61 C ATOM 972 CG PRO A 63 -5.671 10.246 4.579 1.00 0.65 C ATOM 973 CD PRO A 63 -4.481 10.444 5.520 1.00 0.56 C ATOM 0 HA PRO A 63 -3.145 8.722 3.138 1.00 0.54 H new ATOM 0 HB2 PRO A 63 -5.655 9.603 2.504 1.00 0.61 H new ATOM 0 HB3 PRO A 63 -5.394 8.302 3.649 1.00 0.61 H new ATOM 0 HG2 PRO A 63 -6.024 11.202 4.192 1.00 0.65 H new ATOM 0 HG3 PRO A 63 -6.509 9.786 5.103 1.00 0.65 H new ATOM 0 HD2 PRO A 63 -4.414 11.480 5.852 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -4.583 9.829 6.414 1.00 0.56 H new ATOM 981 N VAL A 64 -3.045 10.217 1.157 1.00 0.72 N ATOM 982 CA VAL A 64 -2.766 11.050 -0.025 1.00 0.87 C ATOM 983 C VAL A 64 -3.669 10.651 -1.197 1.00 0.84 C ATOM 984 O VAL A 64 -4.096 9.498 -1.265 1.00 0.69 O ATOM 985 CB VAL A 64 -1.289 10.960 -0.475 1.00 0.89 C ATOM 986 CG1 VAL A 64 -0.431 11.855 0.422 1.00 1.13 C ATOM 987 CG2 VAL A 64 -0.729 9.528 -0.499 1.00 0.74 C ATOM 0 H VAL A 64 -3.020 9.219 0.950 1.00 0.72 H new ATOM 0 HA VAL A 64 -2.971 12.079 0.270 1.00 0.87 H new ATOM 0 HB VAL A 64 -1.253 11.306 -1.508 1.00 0.89 H new ATOM 0 HG11 VAL A 64 0.611 11.794 0.107 1.00 1.13 H new ATOM 0 HG12 VAL A 64 -0.774 12.886 0.342 1.00 1.13 H new ATOM 0 HG13 VAL A 64 -0.518 11.523 1.457 1.00 1.13 H new ATOM 0 HG21 VAL A 64 0.311 9.549 -0.825 1.00 0.74 H new ATOM 0 HG22 VAL A 64 -0.787 9.098 0.501 1.00 0.74 H new ATOM 0 HG23 VAL A 64 -1.313 8.920 -1.190 1.00 0.74 H new ATOM 997 N PRO A 65 -3.943 11.572 -2.144 1.00 1.05 N ATOM 998 CA PRO A 65 -4.738 11.271 -3.327 1.00 1.10 C ATOM 999 C PRO A 65 -4.014 10.351 -4.320 1.00 0.88 C ATOM 1000 O PRO A 65 -4.676 9.866 -5.232 1.00 0.84 O ATOM 1001 CB PRO A 65 -5.056 12.633 -3.955 1.00 1.39 C ATOM 1002 CG PRO A 65 -3.855 13.488 -3.558 1.00 1.45 C ATOM 1003 CD PRO A 65 -3.538 12.974 -2.155 1.00 1.30 C ATOM 0 HA PRO A 65 -5.638 10.720 -3.055 1.00 1.10 H new ATOM 0 HB2 PRO A 65 -5.160 12.563 -5.038 1.00 1.39 H new ATOM 0 HB3 PRO A 65 -5.989 13.046 -3.571 1.00 1.39 H new ATOM 0 HG2 PRO A 65 -3.016 13.352 -4.240 1.00 1.45 H new ATOM 0 HG3 PRO A 65 -4.095 14.551 -3.557 1.00 1.45 H new ATOM 0 HD2 PRO A 65 -2.476 13.076 -1.932 1.00 1.30 H new ATOM 0 HD3 PRO A 65 -4.079 13.543 -1.399 1.00 1.30 H new ATOM 1011 N PHE A 66 -2.698 10.110 -4.163 1.00 0.79 N ATOM 1012 CA PHE A 66 -1.883 9.242 -5.014 1.00 0.63 C ATOM 1013 C PHE A 66 -0.433 9.145 -4.512 1.00 0.64 C ATOM 1014 O PHE A 66 0.058 9.999 -3.772 1.00 0.76 O ATOM 1015 CB PHE A 66 -1.918 9.672 -6.499 1.00 0.65 C ATOM 1016 CG PHE A 66 -1.435 11.078 -6.803 1.00 0.83 C ATOM 1017 CD1 PHE A 66 -0.060 11.335 -6.956 1.00 1.38 C ATOM 1018 CD2 PHE A 66 -2.363 12.123 -6.970 1.00 2.16 C ATOM 1019 CE1 PHE A 66 0.385 12.630 -7.264 1.00 1.45 C ATOM 1020 CE2 PHE A 66 -1.917 13.418 -7.288 1.00 2.33 C ATOM 1021 CZ PHE A 66 -0.541 13.673 -7.435 1.00 1.28 C ATOM 0 H PHE A 66 -2.159 10.535 -3.408 1.00 0.79 H new ATOM 0 HA PHE A 66 -2.329 8.250 -4.950 1.00 0.63 H new ATOM 0 HB2 PHE A 66 -1.312 8.971 -7.073 1.00 0.65 H new ATOM 0 HB3 PHE A 66 -2.943 9.577 -6.859 1.00 0.65 H new ATOM 0 HD1 PHE A 66 0.654 10.534 -6.836 1.00 1.38 H new ATOM 0 HD2 PHE A 66 -3.419 11.930 -6.854 1.00 2.16 H new ATOM 0 HE1 PHE A 66 1.442 12.825 -7.370 1.00 1.45 H new ATOM 0 HE2 PHE A 66 -2.631 14.218 -7.420 1.00 2.33 H new ATOM 0 HZ PHE A 66 -0.198 14.668 -7.679 1.00 1.28 H new ATOM 1031 N LEU A 67 0.261 8.127 -5.015 1.00 0.57 N ATOM 1032 CA LEU A 67 1.712 8.024 -5.148 1.00 0.61 C ATOM 1033 C LEU A 67 2.089 8.019 -6.638 1.00 0.60 C ATOM 1034 O LEU A 67 1.220 7.903 -7.504 1.00 0.58 O ATOM 1035 CB LEU A 67 2.182 6.714 -4.482 1.00 0.61 C ATOM 1036 CG LEU A 67 2.939 6.915 -3.160 1.00 0.70 C ATOM 1037 CD1 LEU A 67 3.381 5.522 -2.690 1.00 0.78 C ATOM 1038 CD2 LEU A 67 4.199 7.782 -3.319 1.00 0.83 C ATOM 0 H LEU A 67 -0.210 7.293 -5.365 1.00 0.57 H new ATOM 0 HA LEU A 67 2.194 8.873 -4.663 1.00 0.61 H new ATOM 0 HB2 LEU A 67 1.314 6.082 -4.298 1.00 0.61 H new ATOM 0 HB3 LEU A 67 2.826 6.176 -5.178 1.00 0.61 H new ATOM 0 HG LEU A 67 2.281 7.423 -2.456 1.00 0.70 H new ATOM 0 HD11 LEU A 67 3.926 5.611 -1.750 1.00 0.78 H new ATOM 0 HD12 LEU A 67 2.504 4.892 -2.543 1.00 0.78 H new ATOM 0 HD13 LEU A 67 4.028 5.072 -3.443 1.00 0.78 H new ATOM 0 HD21 LEU A 67 4.692 7.889 -2.352 1.00 0.83 H new ATOM 0 HD22 LEU A 67 4.881 7.306 -4.023 1.00 0.83 H new ATOM 0 HD23 LEU A 67 3.918 8.766 -3.694 1.00 0.83 H new ATOM 1050 N GLU A 68 3.380 8.051 -6.961 1.00 0.64 N ATOM 1051 CA GLU A 68 3.843 7.949 -8.347 1.00 0.71 C ATOM 1052 C GLU A 68 5.263 7.406 -8.443 1.00 0.77 C ATOM 1053 O GLU A 68 5.949 7.271 -7.431 1.00 0.78 O ATOM 1054 CB GLU A 68 3.652 9.285 -9.074 1.00 0.89 C ATOM 1055 CG GLU A 68 4.691 10.361 -8.774 1.00 1.18 C ATOM 1056 CD GLU A 68 4.220 11.616 -9.507 1.00 1.52 C ATOM 1057 OE1 GLU A 68 3.142 12.143 -9.159 1.00 2.55 O ATOM 1058 OE2 GLU A 68 4.788 11.958 -10.562 1.00 1.70 O ATOM 0 H GLU A 68 4.131 8.147 -6.277 1.00 0.64 H new ATOM 0 HA GLU A 68 3.225 7.213 -8.861 1.00 0.71 H new ATOM 0 HB2 GLU A 68 3.653 9.096 -10.147 1.00 0.89 H new ATOM 0 HB3 GLU A 68 2.667 9.677 -8.820 1.00 0.89 H new ATOM 0 HG2 GLU A 68 4.768 10.541 -7.702 1.00 1.18 H new ATOM 0 HG3 GLU A 68 5.679 10.056 -9.118 1.00 1.18 H new ATOM 1065 N VAL A 69 5.661 7.043 -9.664 1.00 0.89 N ATOM 1066 CA VAL A 69 6.855 6.234 -9.926 1.00 0.90 C ATOM 1067 C VAL A 69 7.502 6.644 -11.255 1.00 0.97 C ATOM 1068 O VAL A 69 6.778 6.783 -12.243 1.00 1.11 O ATOM 1069 CB VAL A 69 6.504 4.719 -10.009 1.00 0.93 C ATOM 1070 CG1 VAL A 69 7.755 3.837 -9.885 1.00 0.94 C ATOM 1071 CG2 VAL A 69 5.478 4.244 -8.962 1.00 0.98 C ATOM 0 H VAL A 69 5.157 7.306 -10.511 1.00 0.89 H new ATOM 0 HA VAL A 69 7.545 6.405 -9.099 1.00 0.90 H new ATOM 0 HB VAL A 69 6.051 4.610 -10.994 1.00 0.93 H new ATOM 0 HG11 VAL A 69 7.468 2.787 -9.948 1.00 0.94 H new ATOM 0 HG12 VAL A 69 8.448 4.073 -10.693 1.00 0.94 H new ATOM 0 HG13 VAL A 69 8.239 4.024 -8.926 1.00 0.94 H new ATOM 0 HG21 VAL A 69 5.292 3.178 -9.092 1.00 0.98 H new ATOM 0 HG22 VAL A 69 5.870 4.425 -7.961 1.00 0.98 H new ATOM 0 HG23 VAL A 69 4.545 4.793 -9.091 1.00 0.98 H new ATOM 1081 N PRO A 70 8.837 6.802 -11.333 1.00 0.92 N ATOM 1082 CA PRO A 70 9.516 7.071 -12.592 1.00 0.97 C ATOM 1083 C PRO A 70 9.624 5.809 -13.467 1.00 0.97 C ATOM 1084 O PRO A 70 9.399 4.698 -12.981 1.00 0.93 O ATOM 1085 CB PRO A 70 10.897 7.590 -12.194 1.00 1.03 C ATOM 1086 CG PRO A 70 11.178 6.844 -10.889 1.00 0.95 C ATOM 1087 CD PRO A 70 9.797 6.767 -10.237 1.00 0.89 C ATOM 0 HA PRO A 70 8.966 7.792 -13.196 1.00 0.97 H new ATOM 0 HB2 PRO A 70 11.646 7.370 -12.955 1.00 1.03 H new ATOM 0 HB3 PRO A 70 10.897 8.670 -12.050 1.00 1.03 H new ATOM 0 HG2 PRO A 70 11.595 5.853 -11.071 1.00 0.95 H new ATOM 0 HG3 PRO A 70 11.891 7.380 -10.263 1.00 0.95 H new ATOM 0 HD2 PRO A 70 9.691 5.853 -9.653 1.00 0.89 H new ATOM 0 HD3 PRO A 70 9.640 7.601 -9.553 1.00 0.89 H new ATOM 1095 N PRO A 71 9.985 5.964 -14.754 1.00 1.05 N ATOM 1096 CA PRO A 71 10.395 4.865 -15.616 1.00 1.15 C ATOM 1097 C PRO A 71 11.699 4.229 -15.137 1.00 1.32 C ATOM 1098 O PRO A 71 12.576 4.901 -14.600 1.00 1.42 O ATOM 1099 CB PRO A 71 10.491 5.444 -17.021 1.00 1.21 C ATOM 1100 CG PRO A 71 10.624 6.953 -16.835 1.00 1.21 C ATOM 1101 CD PRO A 71 10.028 7.231 -15.461 1.00 1.12 C ATOM 0 HA PRO A 71 9.674 4.048 -15.597 1.00 1.15 H new ATOM 0 HB2 PRO A 71 11.350 5.038 -17.555 1.00 1.21 H new ATOM 0 HB3 PRO A 71 9.606 5.198 -17.608 1.00 1.21 H new ATOM 0 HG2 PRO A 71 11.667 7.267 -16.885 1.00 1.21 H new ATOM 0 HG3 PRO A 71 10.090 7.496 -17.615 1.00 1.21 H new ATOM 0 HD2 PRO A 71 10.634 7.956 -14.917 1.00 1.12 H new ATOM 0 HD3 PRO A 71 9.028 7.656 -15.553 1.00 1.12 H new ATOM 1109 N LYS A 72 11.793 2.905 -15.309 1.00 1.39 N ATOM 1110 CA LYS A 72 12.810 2.046 -14.692 1.00 1.55 C ATOM 1111 C LYS A 72 13.030 2.286 -13.188 1.00 1.78 C ATOM 1112 O LYS A 72 14.133 2.508 -12.691 1.00 2.76 O ATOM 1113 CB LYS A 72 14.074 2.006 -15.562 1.00 1.36 C ATOM 1114 CG LYS A 72 14.199 0.611 -16.175 1.00 1.92 C ATOM 1115 CD LYS A 72 13.172 0.277 -17.268 1.00 1.47 C ATOM 1116 CE LYS A 72 13.274 1.199 -18.488 1.00 1.84 C ATOM 1117 NZ LYS A 72 12.315 0.793 -19.537 1.00 1.79 N ATOM 0 H LYS A 72 11.143 2.386 -15.900 1.00 1.39 H new ATOM 0 HA LYS A 72 12.421 1.028 -14.678 1.00 1.55 H new ATOM 0 HB2 LYS A 72 14.017 2.761 -16.347 1.00 1.36 H new ATOM 0 HB3 LYS A 72 14.954 2.236 -14.962 1.00 1.36 H new ATOM 0 HG2 LYS A 72 15.199 0.506 -16.596 1.00 1.92 H new ATOM 0 HG3 LYS A 72 14.109 -0.127 -15.378 1.00 1.92 H new ATOM 0 HD2 LYS A 72 13.312 -0.756 -17.587 1.00 1.47 H new ATOM 0 HD3 LYS A 72 12.168 0.347 -16.849 1.00 1.47 H new ATOM 0 HE2 LYS A 72 13.077 2.228 -18.188 1.00 1.84 H new ATOM 0 HE3 LYS A 72 14.288 1.171 -18.886 1.00 1.84 H new ATOM 0 HZ1 LYS A 72 12.798 0.766 -20.457 1.00 1.79 H new ATOM 0 HZ2 LYS A 72 11.938 -0.151 -19.316 1.00 1.79 H new ATOM 0 HZ3 LYS A 72 11.533 1.478 -19.577 1.00 1.79 H new ATOM 1131 N GLY A 73 11.922 2.187 -12.457 1.00 0.98 N ATOM 1132 CA GLY A 73 11.854 2.385 -11.003 1.00 1.01 C ATOM 1133 C GLY A 73 11.054 1.328 -10.270 1.00 0.97 C ATOM 1134 O GLY A 73 9.852 1.201 -10.486 1.00 1.06 O ATOM 0 H GLY A 73 11.017 1.960 -12.869 1.00 0.98 H new ATOM 0 HA2 GLY A 73 12.867 2.401 -10.602 1.00 1.01 H new ATOM 0 HA3 GLY A 73 11.415 3.362 -10.801 1.00 1.01 H new ATOM 1138 N ARG A 74 11.708 0.646 -9.331 1.00 1.06 N ATOM 1139 CA ARG A 74 11.043 -0.126 -8.275 1.00 1.11 C ATOM 1140 C ARG A 74 10.657 0.798 -7.115 1.00 1.20 C ATOM 1141 O ARG A 74 11.376 1.756 -6.843 1.00 1.60 O ATOM 1142 CB ARG A 74 11.939 -1.300 -7.828 1.00 1.51 C ATOM 1143 CG ARG A 74 11.433 -2.027 -6.567 1.00 1.98 C ATOM 1144 CD ARG A 74 12.303 -3.234 -6.198 1.00 1.87 C ATOM 1145 NE ARG A 74 12.109 -3.629 -4.793 1.00 3.10 N ATOM 1146 CZ ARG A 74 12.019 -4.865 -4.311 1.00 3.60 C ATOM 1147 NH1 ARG A 74 11.995 -5.930 -5.084 1.00 3.50 N ATOM 1148 NH2 ARG A 74 11.937 -5.084 -3.022 1.00 4.96 N ATOM 0 H ARG A 74 12.726 0.612 -9.279 1.00 1.06 H new ATOM 0 HA ARG A 74 10.121 -0.560 -8.661 1.00 1.11 H new ATOM 0 HB2 ARG A 74 12.014 -2.018 -8.644 1.00 1.51 H new ATOM 0 HB3 ARG A 74 12.945 -0.925 -7.640 1.00 1.51 H new ATOM 0 HG2 ARG A 74 11.414 -1.328 -5.731 1.00 1.98 H new ATOM 0 HG3 ARG A 74 10.407 -2.358 -6.729 1.00 1.98 H new ATOM 0 HD2 ARG A 74 12.059 -4.073 -6.850 1.00 1.87 H new ATOM 0 HD3 ARG A 74 13.352 -2.993 -6.368 1.00 1.87 H new ATOM 0 HE ARG A 74 12.036 -2.871 -4.115 1.00 3.10 H new ATOM 0 HH11 ARG A 74 12.046 -5.826 -6.097 1.00 3.50 H new ATOM 0 HH12 ARG A 74 11.925 -6.859 -4.670 1.00 3.50 H new ATOM 0 HH21 ARG A 74 11.942 -4.300 -2.370 1.00 4.96 H new ATOM 0 HH22 ARG A 74 11.869 -6.039 -2.670 1.00 4.96 H new ATOM 1162 N VAL A 75 9.543 0.505 -6.442 1.00 1.00 N ATOM 1163 CA VAL A 75 9.115 1.176 -5.204 1.00 1.11 C ATOM 1164 C VAL A 75 8.462 0.167 -4.263 1.00 0.94 C ATOM 1165 O VAL A 75 7.644 -0.645 -4.691 1.00 1.07 O ATOM 1166 CB VAL A 75 8.127 2.347 -5.451 1.00 1.32 C ATOM 1167 CG1 VAL A 75 8.850 3.591 -5.987 1.00 1.63 C ATOM 1168 CG2 VAL A 75 6.953 1.995 -6.388 1.00 1.21 C ATOM 0 H VAL A 75 8.895 -0.222 -6.746 1.00 1.00 H new ATOM 0 HA VAL A 75 10.015 1.598 -4.757 1.00 1.11 H new ATOM 0 HB VAL A 75 7.701 2.559 -4.470 1.00 1.32 H new ATOM 0 HG11 VAL A 75 8.127 4.391 -6.148 1.00 1.63 H new ATOM 0 HG12 VAL A 75 9.597 3.918 -5.264 1.00 1.63 H new ATOM 0 HG13 VAL A 75 9.340 3.349 -6.930 1.00 1.63 H new ATOM 0 HG21 VAL A 75 6.310 2.867 -6.508 1.00 1.21 H new ATOM 0 HG22 VAL A 75 7.342 1.694 -7.361 1.00 1.21 H new ATOM 0 HG23 VAL A 75 6.377 1.176 -5.958 1.00 1.21 H new ATOM 1178 N GLU A 76 8.780 0.235 -2.971 1.00 0.92 N ATOM 1179 CA GLU A 76 8.072 -0.518 -1.940 1.00 0.94 C ATOM 1180 C GLU A 76 7.281 0.416 -1.028 1.00 0.96 C ATOM 1181 O GLU A 76 7.770 1.461 -0.584 1.00 1.08 O ATOM 1182 CB GLU A 76 9.017 -1.368 -1.081 1.00 1.16 C ATOM 1183 CG GLU A 76 9.762 -2.463 -1.842 1.00 1.66 C ATOM 1184 CD GLU A 76 11.198 -2.082 -2.185 1.00 2.31 C ATOM 1185 OE1 GLU A 76 11.386 -1.331 -3.164 1.00 3.45 O ATOM 1186 OE2 GLU A 76 12.119 -2.658 -1.571 1.00 2.72 O ATOM 0 H GLU A 76 9.537 0.815 -2.610 1.00 0.92 H new ATOM 0 HA GLU A 76 7.392 -1.187 -2.467 1.00 0.94 H new ATOM 0 HB2 GLU A 76 9.748 -0.710 -0.610 1.00 1.16 H new ATOM 0 HB3 GLU A 76 8.440 -1.830 -0.279 1.00 1.16 H new ATOM 0 HG2 GLU A 76 9.767 -3.374 -1.243 1.00 1.66 H new ATOM 0 HG3 GLU A 76 9.223 -2.689 -2.762 1.00 1.66 H new ATOM 1193 N LEU A 77 6.075 -0.025 -0.662 1.00 0.90 N ATOM 1194 CA LEU A 77 5.273 0.588 0.388 1.00 0.87 C ATOM 1195 C LEU A 77 5.813 0.177 1.767 1.00 0.94 C ATOM 1196 O LEU A 77 5.164 -0.485 2.578 1.00 1.32 O ATOM 1197 CB LEU A 77 3.779 0.302 0.150 1.00 0.89 C ATOM 1198 CG LEU A 77 3.145 1.237 -0.906 1.00 0.86 C ATOM 1199 CD1 LEU A 77 3.472 0.842 -2.356 1.00 0.91 C ATOM 1200 CD2 LEU A 77 1.628 1.256 -0.703 1.00 0.95 C ATOM 0 H LEU A 77 5.625 -0.831 -1.097 1.00 0.90 H new ATOM 0 HA LEU A 77 5.358 1.674 0.361 1.00 0.87 H new ATOM 0 HB2 LEU A 77 3.660 -0.733 -0.171 1.00 0.89 H new ATOM 0 HB3 LEU A 77 3.240 0.408 1.091 1.00 0.89 H new ATOM 0 HG LEU A 77 3.575 2.228 -0.758 1.00 0.86 H new ATOM 0 HD11 LEU A 77 2.994 1.542 -3.041 1.00 0.91 H new ATOM 0 HD12 LEU A 77 4.551 0.868 -2.506 1.00 0.91 H new ATOM 0 HD13 LEU A 77 3.103 -0.165 -2.551 1.00 0.91 H new ATOM 0 HD21 LEU A 77 1.170 1.913 -1.443 1.00 0.95 H new ATOM 0 HD22 LEU A 77 1.233 0.247 -0.819 1.00 0.95 H new ATOM 0 HD23 LEU A 77 1.399 1.622 0.298 1.00 0.95 H new ATOM 1212 N LYS A 78 7.051 0.597 2.038 1.00 0.87 N ATOM 1213 CA LYS A 78 7.699 0.503 3.342 1.00 0.98 C ATOM 1214 C LYS A 78 6.875 1.254 4.419 1.00 0.99 C ATOM 1215 O LYS A 78 6.749 2.475 4.288 1.00 1.11 O ATOM 1216 CB LYS A 78 9.147 1.046 3.238 1.00 1.09 C ATOM 1217 CG LYS A 78 9.302 2.355 2.420 1.00 1.06 C ATOM 1218 CD LYS A 78 10.456 3.261 2.868 1.00 1.51 C ATOM 1219 CE LYS A 78 10.186 3.793 4.284 1.00 3.52 C ATOM 1220 NZ LYS A 78 10.858 5.088 4.563 1.00 4.89 N ATOM 0 H LYS A 78 7.647 1.026 1.330 1.00 0.87 H new ATOM 0 HA LYS A 78 7.747 -0.541 3.651 1.00 0.98 H new ATOM 0 HB2 LYS A 78 9.527 1.218 4.245 1.00 1.09 H new ATOM 0 HB3 LYS A 78 9.775 0.278 2.787 1.00 1.09 H new ATOM 0 HG2 LYS A 78 9.448 2.096 1.371 1.00 1.06 H new ATOM 0 HG3 LYS A 78 8.371 2.918 2.483 1.00 1.06 H new ATOM 0 HD2 LYS A 78 11.393 2.705 2.852 1.00 1.51 H new ATOM 0 HD3 LYS A 78 10.567 4.093 2.173 1.00 1.51 H new ATOM 0 HE2 LYS A 78 9.111 3.912 4.421 1.00 3.52 H new ATOM 0 HE3 LYS A 78 10.520 3.054 5.012 1.00 3.52 H new ATOM 0 HZ1 LYS A 78 10.412 5.541 5.386 1.00 4.89 H new ATOM 0 HZ2 LYS A 78 11.865 4.921 4.764 1.00 4.89 H new ATOM 0 HZ3 LYS A 78 10.769 5.711 3.735 1.00 4.89 H new ATOM 1234 N PRO A 79 6.410 0.599 5.513 1.00 1.00 N ATOM 1235 CA PRO A 79 5.482 1.167 6.502 1.00 1.09 C ATOM 1236 C PRO A 79 5.806 2.604 6.930 1.00 1.21 C ATOM 1237 O PRO A 79 4.994 3.498 6.697 1.00 1.48 O ATOM 1238 CB PRO A 79 5.444 0.191 7.688 1.00 1.21 C ATOM 1239 CG PRO A 79 6.453 -0.906 7.353 1.00 1.14 C ATOM 1240 CD PRO A 79 6.650 -0.799 5.845 1.00 1.07 C ATOM 0 HA PRO A 79 4.497 1.269 6.046 1.00 1.09 H new ATOM 0 HB2 PRO A 79 5.708 0.695 8.618 1.00 1.21 H new ATOM 0 HB3 PRO A 79 4.445 -0.224 7.822 1.00 1.21 H new ATOM 0 HG2 PRO A 79 7.392 -0.758 7.887 1.00 1.14 H new ATOM 0 HG3 PRO A 79 6.078 -1.890 7.635 1.00 1.14 H new ATOM 0 HD2 PRO A 79 7.658 -1.102 5.560 1.00 1.07 H new ATOM 0 HD3 PRO A 79 5.958 -1.452 5.313 1.00 1.07 H new ATOM 1248 N GLY A 80 7.013 2.839 7.467 1.00 1.25 N ATOM 1249 CA GLY A 80 7.514 4.168 7.851 1.00 1.38 C ATOM 1250 C GLY A 80 7.986 5.007 6.661 1.00 1.38 C ATOM 1251 O GLY A 80 9.106 5.522 6.665 1.00 1.94 O ATOM 0 H GLY A 80 7.684 2.093 7.651 1.00 1.25 H new ATOM 0 HA2 GLY A 80 6.726 4.707 8.376 1.00 1.38 H new ATOM 0 HA3 GLY A 80 8.340 4.048 8.552 1.00 1.38 H new ATOM 1255 N GLY A 81 7.165 5.090 5.612 1.00 0.95 N ATOM 1256 CA GLY A 81 7.313 5.988 4.460 1.00 1.07 C ATOM 1257 C GLY A 81 6.049 6.092 3.607 1.00 1.02 C ATOM 1258 O GLY A 81 5.609 7.200 3.339 1.00 1.48 O ATOM 0 H GLY A 81 6.335 4.502 5.537 1.00 0.95 H new ATOM 0 HA2 GLY A 81 7.586 6.982 4.816 1.00 1.07 H new ATOM 0 HA3 GLY A 81 8.135 5.636 3.837 1.00 1.07 H new ATOM 1262 N TYR A 82 5.473 4.958 3.196 1.00 0.78 N ATOM 1263 CA TYR A 82 4.239 4.837 2.398 1.00 0.69 C ATOM 1264 C TYR A 82 3.602 3.462 2.638 1.00 0.72 C ATOM 1265 O TYR A 82 4.316 2.465 2.713 1.00 0.86 O ATOM 1266 CB TYR A 82 4.524 5.020 0.901 1.00 0.66 C ATOM 1267 CG TYR A 82 5.156 6.352 0.537 1.00 0.69 C ATOM 1268 CD1 TYR A 82 4.371 7.520 0.474 1.00 2.11 C ATOM 1269 CD2 TYR A 82 6.546 6.427 0.325 1.00 1.72 C ATOM 1270 CE1 TYR A 82 4.977 8.767 0.221 1.00 2.19 C ATOM 1271 CE2 TYR A 82 7.159 7.667 0.073 1.00 1.72 C ATOM 1272 CZ TYR A 82 6.374 8.843 0.022 1.00 0.89 C ATOM 1273 OH TYR A 82 6.959 10.047 -0.226 1.00 1.04 O ATOM 0 H TYR A 82 5.874 4.047 3.421 1.00 0.78 H new ATOM 0 HA TYR A 82 3.552 5.623 2.712 1.00 0.69 H new ATOM 0 HB2 TYR A 82 5.182 4.217 0.569 1.00 0.66 H new ATOM 0 HB3 TYR A 82 3.589 4.914 0.351 1.00 0.66 H new ATOM 0 HD1 TYR A 82 3.303 7.460 0.620 1.00 2.11 H new ATOM 0 HD2 TYR A 82 7.144 5.528 0.356 1.00 1.72 H new ATOM 0 HE1 TYR A 82 4.375 9.663 0.179 1.00 2.19 H new ATOM 0 HE2 TYR A 82 8.227 7.722 -0.081 1.00 1.72 H new ATOM 0 HH TYR A 82 7.925 9.925 -0.338 1.00 1.04 H new ATOM 1283 N HIS A 83 2.280 3.376 2.756 1.00 0.64 N ATOM 1284 CA HIS A 83 1.556 2.144 3.109 1.00 0.66 C ATOM 1285 C HIS A 83 0.054 2.284 2.853 1.00 0.62 C ATOM 1286 O HIS A 83 -0.402 3.383 2.546 1.00 0.57 O ATOM 1287 CB HIS A 83 1.848 1.736 4.561 1.00 0.72 C ATOM 1288 CG HIS A 83 1.372 2.703 5.614 1.00 0.70 C ATOM 1289 ND1 HIS A 83 2.074 3.777 6.125 1.00 0.80 N ATOM 1290 CD2 HIS A 83 0.189 2.630 6.300 1.00 0.71 C ATOM 1291 CE1 HIS A 83 1.320 4.345 7.074 1.00 0.84 C ATOM 1292 NE2 HIS A 83 0.167 3.673 7.231 1.00 0.80 N ATOM 0 H HIS A 83 1.663 4.174 2.607 1.00 0.64 H new ATOM 0 HA HIS A 83 1.917 1.345 2.461 1.00 0.66 H new ATOM 0 HB2 HIS A 83 1.386 0.766 4.748 1.00 0.72 H new ATOM 0 HB3 HIS A 83 2.924 1.604 4.674 1.00 0.72 H new ATOM 0 HD1 HIS A 83 3.002 4.083 5.832 1.00 0.80 H new ATOM 0 HD2 HIS A 83 -0.589 1.897 6.149 1.00 0.71 H new ATOM 0 HE1 HIS A 83 1.600 5.223 7.637 1.00 0.84 H new ATOM 1300 N PHE A 84 -0.716 1.202 3.005 1.00 0.71 N ATOM 1301 CA PHE A 84 -2.173 1.241 2.904 1.00 0.67 C ATOM 1302 C PHE A 84 -2.830 1.018 4.269 1.00 0.66 C ATOM 1303 O PHE A 84 -2.507 0.056 4.969 1.00 0.75 O ATOM 1304 CB PHE A 84 -2.657 0.169 1.924 1.00 0.70 C ATOM 1305 CG PHE A 84 -2.422 0.460 0.456 1.00 0.68 C ATOM 1306 CD1 PHE A 84 -3.156 1.472 -0.194 1.00 1.78 C ATOM 1307 CD2 PHE A 84 -1.523 -0.330 -0.283 1.00 1.69 C ATOM 1308 CE1 PHE A 84 -3.043 1.645 -1.582 1.00 1.81 C ATOM 1309 CE2 PHE A 84 -1.373 -0.115 -1.663 1.00 1.66 C ATOM 1310 CZ PHE A 84 -2.136 0.866 -2.314 1.00 0.69 C ATOM 0 H PHE A 84 -0.343 0.273 3.202 1.00 0.71 H new ATOM 0 HA PHE A 84 -2.458 2.229 2.541 1.00 0.67 H new ATOM 0 HB2 PHE A 84 -2.164 -0.771 2.172 1.00 0.70 H new ATOM 0 HB3 PHE A 84 -3.726 0.019 2.078 1.00 0.70 H new ATOM 0 HD1 PHE A 84 -3.807 2.116 0.378 1.00 1.78 H new ATOM 0 HD2 PHE A 84 -0.949 -1.101 0.210 1.00 1.69 H new ATOM 0 HE1 PHE A 84 -3.655 2.378 -2.086 1.00 1.81 H new ATOM 0 HE2 PHE A 84 -0.667 -0.708 -2.226 1.00 1.66 H new ATOM 0 HZ PHE A 84 -2.025 1.021 -3.377 1.00 0.69 H new ATOM 1320 N MET A 85 -3.819 1.849 4.590 1.00 0.57 N ATOM 1321 CA MET A 85 -4.863 1.569 5.576 1.00 0.53 C ATOM 1322 C MET A 85 -6.000 0.778 4.934 1.00 0.44 C ATOM 1323 O MET A 85 -6.348 1.012 3.778 1.00 0.61 O ATOM 1324 CB MET A 85 -5.373 2.890 6.176 1.00 0.74 C ATOM 1325 CG MET A 85 -4.493 3.352 7.343 1.00 0.72 C ATOM 1326 SD MET A 85 -4.731 2.376 8.853 1.00 1.09 S ATOM 1327 CE MET A 85 -3.238 1.352 8.836 1.00 0.81 C ATOM 0 H MET A 85 -3.920 2.767 4.157 1.00 0.57 H new ATOM 0 HA MET A 85 -4.449 0.961 6.380 1.00 0.53 H new ATOM 0 HB2 MET A 85 -5.389 3.659 5.404 1.00 0.74 H new ATOM 0 HB3 MET A 85 -6.399 2.762 6.521 1.00 0.74 H new ATOM 0 HG2 MET A 85 -3.446 3.296 7.044 1.00 0.72 H new ATOM 0 HG3 MET A 85 -4.707 4.399 7.558 1.00 0.72 H new ATOM 0 HE1 MET A 85 -2.969 1.084 9.858 1.00 0.81 H new ATOM 0 HE2 MET A 85 -3.425 0.445 8.260 1.00 0.81 H new ATOM 0 HE3 MET A 85 -2.420 1.909 8.380 1.00 0.81 H new ATOM 1337 N LEU A 86 -6.593 -0.142 5.693 1.00 0.51 N ATOM 1338 CA LEU A 86 -7.765 -0.924 5.321 1.00 0.50 C ATOM 1339 C LEU A 86 -8.905 -0.543 6.271 1.00 0.57 C ATOM 1340 O LEU A 86 -8.784 -0.782 7.469 1.00 0.73 O ATOM 1341 CB LEU A 86 -7.421 -2.426 5.437 1.00 0.58 C ATOM 1342 CG LEU A 86 -6.239 -2.928 4.576 1.00 0.75 C ATOM 1343 CD1 LEU A 86 -6.099 -4.450 4.726 1.00 1.92 C ATOM 1344 CD2 LEU A 86 -6.405 -2.582 3.092 1.00 0.98 C ATOM 0 H LEU A 86 -6.252 -0.371 6.627 1.00 0.51 H new ATOM 0 HA LEU A 86 -8.070 -0.722 4.294 1.00 0.50 H new ATOM 0 HB2 LEU A 86 -7.201 -2.647 6.482 1.00 0.58 H new ATOM 0 HB3 LEU A 86 -8.307 -3.001 5.170 1.00 0.58 H new ATOM 0 HG LEU A 86 -5.343 -2.423 4.936 1.00 0.75 H new ATOM 0 HD11 LEU A 86 -5.265 -4.800 4.118 1.00 1.92 H new ATOM 0 HD12 LEU A 86 -5.915 -4.697 5.771 1.00 1.92 H new ATOM 0 HD13 LEU A 86 -7.018 -4.934 4.395 1.00 1.92 H new ATOM 0 HD21 LEU A 86 -5.548 -2.957 2.533 1.00 0.98 H new ATOM 0 HD22 LEU A 86 -7.317 -3.042 2.711 1.00 0.98 H new ATOM 0 HD23 LEU A 86 -6.469 -1.500 2.976 1.00 0.98 H new ATOM 1356 N LEU A 87 -9.999 0.040 5.769 1.00 0.71 N ATOM 1357 CA LEU A 87 -11.195 0.349 6.567 1.00 0.85 C ATOM 1358 C LEU A 87 -12.352 -0.574 6.164 1.00 0.88 C ATOM 1359 O LEU A 87 -12.615 -0.741 4.974 1.00 1.10 O ATOM 1360 CB LEU A 87 -11.630 1.818 6.373 1.00 1.06 C ATOM 1361 CG LEU A 87 -10.524 2.891 6.342 1.00 1.80 C ATOM 1362 CD1 LEU A 87 -11.157 4.285 6.256 1.00 2.21 C ATOM 1363 CD2 LEU A 87 -9.624 2.844 7.569 1.00 2.28 C ATOM 0 H LEU A 87 -10.082 0.314 4.790 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.944 0.192 7.616 1.00 0.85 H new ATOM 0 HB2 LEU A 87 -12.187 1.883 5.439 1.00 1.06 H new ATOM 0 HB3 LEU A 87 -12.322 2.072 7.175 1.00 1.06 H new ATOM 0 HG LEU A 87 -9.910 2.684 5.465 1.00 1.80 H new ATOM 0 HD11 LEU A 87 -10.372 5.041 6.234 1.00 2.21 H new ATOM 0 HD12 LEU A 87 -11.755 4.357 5.348 1.00 2.21 H new ATOM 0 HD13 LEU A 87 -11.795 4.449 7.125 1.00 2.21 H new ATOM 0 HD21 LEU A 87 -8.864 3.622 7.493 1.00 2.28 H new ATOM 0 HD22 LEU A 87 -10.222 3.008 8.465 1.00 2.28 H new ATOM 0 HD23 LEU A 87 -9.141 1.869 7.629 1.00 2.28 H new ATOM 1375 N GLY A 88 -13.070 -1.133 7.143 1.00 0.89 N ATOM 1376 CA GLY A 88 -14.203 -2.030 6.899 1.00 1.06 C ATOM 1377 C GLY A 88 -13.700 -3.399 6.462 1.00 1.22 C ATOM 1378 O GLY A 88 -13.683 -3.684 5.267 1.00 2.58 O ATOM 0 H GLY A 88 -12.880 -0.975 8.133 1.00 0.89 H new ATOM 0 HA2 GLY A 88 -14.803 -2.126 7.804 1.00 1.06 H new ATOM 0 HA3 GLY A 88 -14.851 -1.609 6.130 1.00 1.06 H new ATOM 1382 N LEU A 89 -13.252 -4.234 7.403 1.00 0.91 N ATOM 1383 CA LEU A 89 -12.774 -5.580 7.069 1.00 0.83 C ATOM 1384 C LEU A 89 -13.955 -6.480 6.700 1.00 0.92 C ATOM 1385 O LEU A 89 -14.669 -6.988 7.560 1.00 1.06 O ATOM 1386 CB LEU A 89 -11.919 -6.178 8.192 1.00 0.83 C ATOM 1387 CG LEU A 89 -10.697 -5.343 8.622 1.00 0.83 C ATOM 1388 CD1 LEU A 89 -9.797 -6.263 9.448 1.00 0.91 C ATOM 1389 CD2 LEU A 89 -9.879 -4.754 7.464 1.00 0.79 C ATOM 0 H LEU A 89 -13.210 -4.005 8.396 1.00 0.91 H new ATOM 0 HA LEU A 89 -12.121 -5.507 6.199 1.00 0.83 H new ATOM 0 HB2 LEU A 89 -12.555 -6.333 9.064 1.00 0.83 H new ATOM 0 HB3 LEU A 89 -11.570 -7.160 7.874 1.00 0.83 H new ATOM 0 HG LEU A 89 -11.069 -4.483 9.180 1.00 0.83 H new ATOM 0 HD11 LEU A 89 -8.915 -5.712 9.775 1.00 0.91 H new ATOM 0 HD12 LEU A 89 -10.345 -6.621 10.319 1.00 0.91 H new ATOM 0 HD13 LEU A 89 -9.488 -7.113 8.839 1.00 0.91 H new ATOM 0 HD21 LEU A 89 -9.041 -4.183 7.864 1.00 0.79 H new ATOM 0 HD22 LEU A 89 -9.502 -5.562 6.837 1.00 0.79 H new ATOM 0 HD23 LEU A 89 -10.513 -4.098 6.868 1.00 0.79 H new ATOM 1401 N LYS A 90 -14.165 -6.676 5.399 1.00 0.93 N ATOM 1402 CA LYS A 90 -15.349 -7.362 4.866 1.00 1.05 C ATOM 1403 C LYS A 90 -15.286 -8.891 5.022 1.00 1.15 C ATOM 1404 O LYS A 90 -16.286 -9.579 4.820 1.00 1.33 O ATOM 1405 CB LYS A 90 -15.611 -6.904 3.427 1.00 1.20 C ATOM 1406 CG LYS A 90 -14.753 -7.615 2.373 1.00 1.33 C ATOM 1407 CD LYS A 90 -15.141 -7.129 0.975 1.00 1.31 C ATOM 1408 CE LYS A 90 -14.381 -5.852 0.623 1.00 1.64 C ATOM 1409 NZ LYS A 90 -14.985 -5.138 -0.518 1.00 1.77 N ATOM 0 H LYS A 90 -13.516 -6.362 4.677 1.00 0.93 H new ATOM 0 HA LYS A 90 -16.209 -7.072 5.469 1.00 1.05 H new ATOM 0 HB2 LYS A 90 -16.663 -7.066 3.192 1.00 1.20 H new ATOM 0 HB3 LYS A 90 -15.432 -5.831 3.361 1.00 1.20 H new ATOM 0 HG2 LYS A 90 -13.697 -7.417 2.557 1.00 1.33 H new ATOM 0 HG3 LYS A 90 -14.892 -8.694 2.445 1.00 1.33 H new ATOM 0 HD2 LYS A 90 -14.922 -7.904 0.240 1.00 1.31 H new ATOM 0 HD3 LYS A 90 -16.214 -6.944 0.933 1.00 1.31 H new ATOM 0 HE2 LYS A 90 -14.360 -5.193 1.491 1.00 1.64 H new ATOM 0 HE3 LYS A 90 -13.346 -6.101 0.387 1.00 1.64 H new ATOM 0 HZ1 LYS A 90 -14.498 -4.229 -0.656 1.00 1.77 H new ATOM 0 HZ2 LYS A 90 -14.891 -5.715 -1.378 1.00 1.77 H new ATOM 0 HZ3 LYS A 90 -15.992 -4.966 -0.326 1.00 1.77 H new ATOM 1423 N ARG A 91 -14.104 -9.425 5.360 1.00 1.15 N ATOM 1424 CA ARG A 91 -13.835 -10.836 5.638 1.00 1.30 C ATOM 1425 C ARG A 91 -12.732 -10.992 6.700 1.00 1.41 C ATOM 1426 O ARG A 91 -11.796 -10.192 6.709 1.00 1.48 O ATOM 1427 CB ARG A 91 -13.379 -11.537 4.347 1.00 1.34 C ATOM 1428 CG ARG A 91 -14.558 -12.155 3.588 1.00 1.89 C ATOM 1429 CD ARG A 91 -14.058 -12.886 2.342 1.00 2.18 C ATOM 1430 NE ARG A 91 -15.118 -13.749 1.776 1.00 3.15 N ATOM 1431 CZ ARG A 91 -15.294 -15.052 1.989 1.00 4.10 C ATOM 1432 NH1 ARG A 91 -14.478 -15.755 2.751 1.00 4.64 N ATOM 1433 NH2 ARG A 91 -16.310 -15.680 1.430 1.00 5.22 N ATOM 0 H ARG A 91 -13.267 -8.850 5.451 1.00 1.15 H new ATOM 0 HA ARG A 91 -14.753 -11.287 6.014 1.00 1.30 H new ATOM 0 HB2 ARG A 91 -12.869 -10.819 3.704 1.00 1.34 H new ATOM 0 HB3 ARG A 91 -12.656 -12.315 4.592 1.00 1.34 H new ATOM 0 HG2 ARG A 91 -15.093 -12.849 4.236 1.00 1.89 H new ATOM 0 HG3 ARG A 91 -15.265 -11.376 3.303 1.00 1.89 H new ATOM 0 HD2 ARG A 91 -13.736 -12.161 1.595 1.00 2.18 H new ATOM 0 HD3 ARG A 91 -13.187 -13.491 2.595 1.00 2.18 H new ATOM 0 HE ARG A 91 -15.788 -13.296 1.154 1.00 3.15 H new ATOM 0 HH11 ARG A 91 -13.682 -15.302 3.199 1.00 4.64 H new ATOM 0 HH12 ARG A 91 -14.644 -16.752 2.892 1.00 4.64 H new ATOM 0 HH21 ARG A 91 -16.961 -15.168 0.835 1.00 5.22 H new ATOM 0 HH22 ARG A 91 -16.445 -16.678 1.593 1.00 5.22 H new ATOM 1447 N PRO A 92 -12.778 -12.059 7.527 1.00 1.58 N ATOM 1448 CA PRO A 92 -11.611 -12.545 8.252 1.00 1.78 C ATOM 1449 C PRO A 92 -10.599 -13.120 7.253 1.00 1.78 C ATOM 1450 O PRO A 92 -10.981 -13.631 6.198 1.00 2.09 O ATOM 1451 CB PRO A 92 -12.138 -13.605 9.222 1.00 2.04 C ATOM 1452 CG PRO A 92 -13.332 -14.190 8.472 1.00 1.97 C ATOM 1453 CD PRO A 92 -13.890 -12.991 7.700 1.00 1.73 C ATOM 0 HA PRO A 92 -11.092 -11.760 8.803 1.00 1.78 H new ATOM 0 HB2 PRO A 92 -11.386 -14.364 9.439 1.00 2.04 H new ATOM 0 HB3 PRO A 92 -12.434 -13.168 10.176 1.00 2.04 H new ATOM 0 HG2 PRO A 92 -13.030 -14.994 7.801 1.00 1.97 H new ATOM 0 HG3 PRO A 92 -14.071 -14.606 9.156 1.00 1.97 H new ATOM 0 HD2 PRO A 92 -14.290 -13.302 6.735 1.00 1.73 H new ATOM 0 HD3 PRO A 92 -14.708 -12.523 8.248 1.00 1.73 H new ATOM 1461 N LEU A 93 -9.309 -13.011 7.584 1.00 1.87 N ATOM 1462 CA LEU A 93 -8.206 -13.108 6.612 1.00 1.92 C ATOM 1463 C LEU A 93 -6.864 -13.509 7.243 1.00 2.43 C ATOM 1464 O LEU A 93 -5.800 -13.020 6.902 1.00 4.24 O ATOM 1465 CB LEU A 93 -8.080 -11.768 5.885 1.00 2.07 C ATOM 1466 CG LEU A 93 -7.574 -10.616 6.774 1.00 1.74 C ATOM 1467 CD1 LEU A 93 -6.524 -9.817 6.001 1.00 3.07 C ATOM 1468 CD2 LEU A 93 -8.695 -9.759 7.360 1.00 2.12 C ATOM 0 H LEU A 93 -8.994 -12.852 8.541 1.00 1.87 H new ATOM 0 HA LEU A 93 -8.450 -13.908 5.913 1.00 1.92 H new ATOM 0 HB2 LEU A 93 -7.400 -11.887 5.041 1.00 2.07 H new ATOM 0 HB3 LEU A 93 -9.053 -11.496 5.475 1.00 2.07 H new ATOM 0 HG LEU A 93 -7.099 -11.041 7.658 1.00 1.74 H new ATOM 0 HD11 LEU A 93 -6.159 -8.999 6.622 1.00 3.07 H new ATOM 0 HD12 LEU A 93 -5.692 -10.470 5.736 1.00 3.07 H new ATOM 0 HD13 LEU A 93 -6.971 -9.412 5.093 1.00 3.07 H new ATOM 0 HD21 LEU A 93 -8.265 -8.968 7.975 1.00 2.12 H new ATOM 0 HD22 LEU A 93 -9.275 -9.315 6.551 1.00 2.12 H new ATOM 0 HD23 LEU A 93 -9.346 -10.382 7.973 1.00 2.12 H new ATOM 1480 N LYS A 94 -6.962 -14.288 8.298 1.00 1.43 N ATOM 1481 CA LYS A 94 -5.889 -14.652 9.238 1.00 2.01 C ATOM 1482 C LYS A 94 -4.539 -14.980 8.553 1.00 1.82 C ATOM 1483 O LYS A 94 -4.472 -15.563 7.474 1.00 2.00 O ATOM 1484 CB LYS A 94 -6.430 -15.799 10.113 1.00 2.73 C ATOM 1485 CG LYS A 94 -5.436 -16.511 11.054 1.00 3.82 C ATOM 1486 CD LYS A 94 -5.597 -18.035 11.017 1.00 3.75 C ATOM 1487 CE LYS A 94 -4.888 -18.809 9.883 1.00 4.34 C ATOM 1488 NZ LYS A 94 -5.120 -18.267 8.524 1.00 4.28 N ATOM 0 H LYS A 94 -7.850 -14.721 8.552 1.00 1.43 H new ATOM 0 HA LYS A 94 -5.636 -13.793 9.859 1.00 2.01 H new ATOM 0 HB2 LYS A 94 -7.243 -15.402 10.721 1.00 2.73 H new ATOM 0 HB3 LYS A 94 -6.863 -16.550 9.452 1.00 2.73 H new ATOM 0 HG2 LYS A 94 -4.417 -16.248 10.770 1.00 3.82 H new ATOM 0 HG3 LYS A 94 -5.585 -16.156 12.074 1.00 3.82 H new ATOM 0 HD2 LYS A 94 -5.240 -18.432 11.967 1.00 3.75 H new ATOM 0 HD3 LYS A 94 -6.662 -18.258 10.959 1.00 3.75 H new ATOM 0 HE2 LYS A 94 -3.816 -18.813 10.080 1.00 4.34 H new ATOM 0 HE3 LYS A 94 -5.220 -19.847 9.907 1.00 4.34 H new ATOM 0 HZ1 LYS A 94 -4.911 -19.001 7.817 1.00 4.28 H new ATOM 0 HZ2 LYS A 94 -6.113 -17.971 8.433 1.00 4.28 H new ATOM 0 HZ3 LYS A 94 -4.499 -17.448 8.366 1.00 4.28 H new ATOM 1502 N ALA A 95 -3.430 -14.701 9.246 1.00 2.06 N ATOM 1503 CA ALA A 95 -2.075 -14.941 8.737 1.00 2.06 C ATOM 1504 C ALA A 95 -1.895 -16.380 8.227 1.00 2.08 C ATOM 1505 O ALA A 95 -2.371 -17.324 8.860 1.00 2.35 O ATOM 1506 CB ALA A 95 -1.047 -14.583 9.810 1.00 2.49 C ATOM 0 H ALA A 95 -3.447 -14.299 10.183 1.00 2.06 H new ATOM 0 HA ALA A 95 -1.914 -14.294 7.875 1.00 2.06 H new ATOM 0 HB1 ALA A 95 -0.043 -14.763 9.426 1.00 2.49 H new ATOM 0 HB2 ALA A 95 -1.150 -13.531 10.076 1.00 2.49 H new ATOM 0 HB3 ALA A 95 -1.214 -15.199 10.694 1.00 2.49 H new ATOM 1512 N GLY A 96 -1.272 -16.522 7.057 1.00 1.90 N ATOM 1513 CA GLY A 96 -1.254 -17.766 6.278 1.00 1.95 C ATOM 1514 C GLY A 96 -2.313 -17.834 5.170 1.00 1.89 C ATOM 1515 O GLY A 96 -2.186 -18.692 4.302 1.00 2.41 O ATOM 0 H GLY A 96 -0.755 -15.763 6.613 1.00 1.90 H new ATOM 0 HA2 GLY A 96 -0.268 -17.885 5.829 1.00 1.95 H new ATOM 0 HA3 GLY A 96 -1.400 -18.607 6.956 1.00 1.95 H new ATOM 1519 N GLU A 97 -3.289 -16.919 5.147 1.00 1.58 N ATOM 1520 CA GLU A 97 -4.085 -16.639 3.955 1.00 1.54 C ATOM 1521 C GLU A 97 -3.204 -15.915 2.923 1.00 1.34 C ATOM 1522 O GLU A 97 -2.227 -15.238 3.261 1.00 1.35 O ATOM 1523 CB GLU A 97 -5.304 -15.752 4.286 1.00 1.84 C ATOM 1524 CG GLU A 97 -6.588 -16.401 4.846 1.00 1.64 C ATOM 1525 CD GLU A 97 -6.442 -17.345 6.036 1.00 3.00 C ATOM 1526 OE1 GLU A 97 -5.726 -18.368 5.953 1.00 4.28 O ATOM 1527 OE2 GLU A 97 -7.088 -17.086 7.078 1.00 3.58 O ATOM 0 H GLU A 97 -3.546 -16.354 5.956 1.00 1.58 H new ATOM 0 HA GLU A 97 -4.449 -17.586 3.556 1.00 1.54 H new ATOM 0 HB2 GLU A 97 -4.976 -15.002 5.006 1.00 1.84 H new ATOM 0 HB3 GLU A 97 -5.578 -15.220 3.375 1.00 1.84 H new ATOM 0 HG2 GLU A 97 -7.271 -15.601 5.133 1.00 1.64 H new ATOM 0 HG3 GLU A 97 -7.066 -16.953 4.036 1.00 1.64 H new ATOM 1534 N GLU A 98 -3.632 -16.008 1.670 1.00 1.30 N ATOM 1535 CA GLU A 98 -3.136 -15.256 0.515 1.00 1.18 C ATOM 1536 C GLU A 98 -4.193 -14.210 0.135 1.00 1.09 C ATOM 1537 O GLU A 98 -5.392 -14.452 0.277 1.00 1.26 O ATOM 1538 CB GLU A 98 -2.909 -16.204 -0.678 1.00 1.34 C ATOM 1539 CG GLU A 98 -1.604 -17.010 -0.602 1.00 2.43 C ATOM 1540 CD GLU A 98 -0.463 -16.278 -1.311 1.00 3.31 C ATOM 1541 OE1 GLU A 98 0.098 -15.346 -0.699 1.00 4.27 O ATOM 1542 OE2 GLU A 98 -0.185 -16.629 -2.478 1.00 4.02 O ATOM 0 H GLU A 98 -4.382 -16.650 1.413 1.00 1.30 H new ATOM 0 HA GLU A 98 -2.190 -14.775 0.766 1.00 1.18 H new ATOM 0 HB2 GLU A 98 -3.748 -16.897 -0.742 1.00 1.34 H new ATOM 0 HB3 GLU A 98 -2.909 -15.619 -1.598 1.00 1.34 H new ATOM 0 HG2 GLU A 98 -1.338 -17.180 0.441 1.00 2.43 H new ATOM 0 HG3 GLU A 98 -1.751 -17.989 -1.058 1.00 2.43 H new ATOM 1549 N VAL A 99 -3.758 -13.059 -0.373 1.00 0.98 N ATOM 1550 CA VAL A 99 -4.606 -11.946 -0.814 1.00 0.96 C ATOM 1551 C VAL A 99 -4.211 -11.516 -2.217 1.00 1.03 C ATOM 1552 O VAL A 99 -3.088 -11.089 -2.451 1.00 1.08 O ATOM 1553 CB VAL A 99 -4.514 -10.742 0.157 1.00 0.85 C ATOM 1554 CG1 VAL A 99 -5.148 -9.452 -0.427 1.00 0.87 C ATOM 1555 CG2 VAL A 99 -5.196 -11.127 1.477 1.00 0.91 C ATOM 0 H VAL A 99 -2.764 -12.865 -0.495 1.00 0.98 H new ATOM 0 HA VAL A 99 -5.639 -12.293 -0.819 1.00 0.96 H new ATOM 0 HB VAL A 99 -3.461 -10.515 0.322 1.00 0.85 H new ATOM 0 HG11 VAL A 99 -5.055 -8.641 0.296 1.00 0.87 H new ATOM 0 HG12 VAL A 99 -4.633 -9.178 -1.348 1.00 0.87 H new ATOM 0 HG13 VAL A 99 -6.202 -9.629 -0.640 1.00 0.87 H new ATOM 0 HG21 VAL A 99 -5.140 -10.290 2.173 1.00 0.91 H new ATOM 0 HG22 VAL A 99 -6.241 -11.373 1.288 1.00 0.91 H new ATOM 0 HG23 VAL A 99 -4.692 -11.992 1.908 1.00 0.91 H new ATOM 1565 N GLU A 100 -5.187 -11.548 -3.121 1.00 1.08 N ATOM 1566 CA GLU A 100 -5.155 -10.799 -4.377 1.00 1.15 C ATOM 1567 C GLU A 100 -5.404 -9.316 -4.082 1.00 1.06 C ATOM 1568 O GLU A 100 -6.440 -8.950 -3.517 1.00 1.07 O ATOM 1569 CB GLU A 100 -6.226 -11.355 -5.337 1.00 1.34 C ATOM 1570 CG GLU A 100 -5.634 -12.273 -6.418 1.00 2.27 C ATOM 1571 CD GLU A 100 -5.587 -11.554 -7.763 1.00 2.87 C ATOM 1572 OE1 GLU A 100 -4.817 -10.584 -7.921 1.00 4.13 O ATOM 1573 OE2 GLU A 100 -6.423 -11.863 -8.636 1.00 3.03 O ATOM 0 H GLU A 100 -6.035 -12.102 -3.001 1.00 1.08 H new ATOM 0 HA GLU A 100 -4.180 -10.905 -4.853 1.00 1.15 H new ATOM 0 HB2 GLU A 100 -6.970 -11.908 -4.764 1.00 1.34 H new ATOM 0 HB3 GLU A 100 -6.745 -10.525 -5.816 1.00 1.34 H new ATOM 0 HG2 GLU A 100 -4.630 -12.583 -6.130 1.00 2.27 H new ATOM 0 HG3 GLU A 100 -6.235 -13.178 -6.504 1.00 2.27 H new ATOM 1580 N LEU A 101 -4.453 -8.460 -4.461 1.00 1.24 N ATOM 1581 CA LEU A 101 -4.562 -7.008 -4.338 1.00 1.16 C ATOM 1582 C LEU A 101 -4.352 -6.335 -5.702 1.00 1.18 C ATOM 1583 O LEU A 101 -3.341 -6.546 -6.375 1.00 1.33 O ATOM 1584 CB LEU A 101 -3.583 -6.490 -3.259 1.00 1.19 C ATOM 1585 CG LEU A 101 -4.261 -5.806 -2.062 1.00 1.28 C ATOM 1586 CD1 LEU A 101 -3.303 -5.687 -0.875 1.00 1.58 C ATOM 1587 CD2 LEU A 101 -4.687 -4.375 -2.414 1.00 1.59 C ATOM 0 H LEU A 101 -3.569 -8.764 -4.870 1.00 1.24 H new ATOM 0 HA LEU A 101 -5.568 -6.746 -4.011 1.00 1.16 H new ATOM 0 HB2 LEU A 101 -2.988 -7.327 -2.894 1.00 1.19 H new ATOM 0 HB3 LEU A 101 -2.892 -5.785 -3.721 1.00 1.19 H new ATOM 0 HG LEU A 101 -5.123 -6.423 -1.808 1.00 1.28 H new ATOM 0 HD11 LEU A 101 -3.812 -5.199 -0.044 1.00 1.58 H new ATOM 0 HD12 LEU A 101 -2.979 -6.681 -0.568 1.00 1.58 H new ATOM 0 HD13 LEU A 101 -2.435 -5.096 -1.166 1.00 1.58 H new ATOM 0 HD21 LEU A 101 -5.164 -3.914 -1.549 1.00 1.59 H new ATOM 0 HD22 LEU A 101 -3.810 -3.793 -2.697 1.00 1.59 H new ATOM 0 HD23 LEU A 101 -5.390 -4.399 -3.246 1.00 1.59 H new ATOM 1599 N ASP A 102 -5.317 -5.501 -6.074 1.00 1.08 N ATOM 1600 CA ASP A 102 -5.372 -4.730 -7.320 1.00 1.07 C ATOM 1601 C ASP A 102 -4.839 -3.316 -7.078 1.00 0.93 C ATOM 1602 O ASP A 102 -5.606 -2.449 -6.659 1.00 0.77 O ATOM 1603 CB ASP A 102 -6.835 -4.607 -7.802 1.00 1.12 C ATOM 1604 CG ASP A 102 -7.460 -5.840 -8.446 1.00 1.48 C ATOM 1605 OD1 ASP A 102 -6.862 -6.932 -8.364 1.00 2.60 O ATOM 1606 OD2 ASP A 102 -8.569 -5.687 -9.010 1.00 1.70 O ATOM 0 H ASP A 102 -6.131 -5.332 -5.483 1.00 1.08 H new ATOM 0 HA ASP A 102 -4.769 -5.244 -8.068 1.00 1.07 H new ATOM 0 HB2 ASP A 102 -7.450 -4.323 -6.948 1.00 1.12 H new ATOM 0 HB3 ASP A 102 -6.887 -3.788 -8.519 1.00 1.12 H new ATOM 1611 N LEU A 103 -3.562 -3.031 -7.354 1.00 1.12 N ATOM 1612 CA LEU A 103 -3.088 -1.644 -7.296 1.00 0.90 C ATOM 1613 C LEU A 103 -3.670 -0.838 -8.466 1.00 0.78 C ATOM 1614 O LEU A 103 -3.540 -1.236 -9.622 1.00 0.92 O ATOM 1615 CB LEU A 103 -1.551 -1.587 -7.244 1.00 1.25 C ATOM 1616 CG LEU A 103 -0.889 -2.242 -6.014 1.00 1.60 C ATOM 1617 CD1 LEU A 103 0.524 -1.660 -5.865 1.00 2.60 C ATOM 1618 CD2 LEU A 103 -1.659 -2.008 -4.706 1.00 1.54 C ATOM 0 H LEU A 103 -2.856 -3.720 -7.613 1.00 1.12 H new ATOM 0 HA LEU A 103 -3.444 -1.184 -6.374 1.00 0.90 H new ATOM 0 HB2 LEU A 103 -1.159 -2.067 -8.141 1.00 1.25 H new ATOM 0 HB3 LEU A 103 -1.245 -0.542 -7.282 1.00 1.25 H new ATOM 0 HG LEU A 103 -0.878 -3.319 -6.185 1.00 1.60 H new ATOM 0 HD11 LEU A 103 1.013 -2.109 -5.000 1.00 2.60 H new ATOM 0 HD12 LEU A 103 1.103 -1.877 -6.763 1.00 2.60 H new ATOM 0 HD13 LEU A 103 0.460 -0.581 -5.726 1.00 2.60 H new ATOM 0 HD21 LEU A 103 -1.136 -2.497 -3.884 1.00 1.54 H new ATOM 0 HD22 LEU A 103 -1.725 -0.938 -4.509 1.00 1.54 H new ATOM 0 HD23 LEU A 103 -2.663 -2.423 -4.795 1.00 1.54 H new ATOM 1630 N LEU A 104 -4.321 0.292 -8.167 1.00 0.58 N ATOM 1631 CA LEU A 104 -5.066 1.123 -9.118 1.00 0.59 C ATOM 1632 C LEU A 104 -4.187 2.261 -9.642 1.00 0.50 C ATOM 1633 O LEU A 104 -3.499 2.934 -8.870 1.00 0.49 O ATOM 1634 CB LEU A 104 -6.320 1.725 -8.441 1.00 0.58 C ATOM 1635 CG LEU A 104 -7.237 0.761 -7.676 1.00 0.65 C ATOM 1636 CD1 LEU A 104 -8.438 1.523 -7.098 1.00 0.73 C ATOM 1637 CD2 LEU A 104 -7.728 -0.413 -8.536 1.00 0.85 C ATOM 0 H LEU A 104 -4.344 0.667 -7.219 1.00 0.58 H new ATOM 0 HA LEU A 104 -5.370 0.489 -9.951 1.00 0.59 H new ATOM 0 HB2 LEU A 104 -5.991 2.499 -7.748 1.00 0.58 H new ATOM 0 HB3 LEU A 104 -6.915 2.218 -9.210 1.00 0.58 H new ATOM 0 HG LEU A 104 -6.640 0.335 -6.869 1.00 0.65 H new ATOM 0 HD11 LEU A 104 -9.082 0.830 -6.557 1.00 0.73 H new ATOM 0 HD12 LEU A 104 -8.084 2.297 -6.417 1.00 0.73 H new ATOM 0 HD13 LEU A 104 -9.001 1.984 -7.909 1.00 0.73 H new ATOM 0 HD21 LEU A 104 -8.372 -1.058 -7.938 1.00 0.85 H new ATOM 0 HD22 LEU A 104 -8.289 -0.030 -9.388 1.00 0.85 H new ATOM 0 HD23 LEU A 104 -6.872 -0.985 -8.893 1.00 0.85 H new ATOM 1649 N PHE A 105 -4.256 2.543 -10.943 1.00 0.48 N ATOM 1650 CA PHE A 105 -3.403 3.550 -11.589 1.00 0.47 C ATOM 1651 C PHE A 105 -4.183 4.487 -12.527 1.00 0.61 C ATOM 1652 O PHE A 105 -5.134 4.094 -13.207 1.00 0.87 O ATOM 1653 CB PHE A 105 -2.323 2.809 -12.385 1.00 0.58 C ATOM 1654 CG PHE A 105 -1.204 2.225 -11.561 1.00 0.69 C ATOM 1655 CD1 PHE A 105 -1.355 0.960 -10.972 1.00 1.66 C ATOM 1656 CD2 PHE A 105 0.001 2.930 -11.424 1.00 2.02 C ATOM 1657 CE1 PHE A 105 -0.313 0.419 -10.199 1.00 1.67 C ATOM 1658 CE2 PHE A 105 1.049 2.387 -10.663 1.00 2.31 C ATOM 1659 CZ PHE A 105 0.883 1.140 -10.037 1.00 1.32 C ATOM 0 H PHE A 105 -4.904 2.082 -11.582 1.00 0.48 H new ATOM 0 HA PHE A 105 -2.971 4.181 -10.812 1.00 0.47 H new ATOM 0 HB2 PHE A 105 -2.797 2.004 -12.947 1.00 0.58 H new ATOM 0 HB3 PHE A 105 -1.895 3.497 -13.114 1.00 0.58 H new ATOM 0 HD1 PHE A 105 -2.270 0.403 -11.112 1.00 1.66 H new ATOM 0 HD2 PHE A 105 0.123 3.890 -11.904 1.00 2.02 H new ATOM 0 HE1 PHE A 105 -0.431 -0.547 -9.731 1.00 1.67 H new ATOM 0 HE2 PHE A 105 1.979 2.926 -10.559 1.00 2.31 H new ATOM 0 HZ PHE A 105 1.678 0.734 -9.429 1.00 1.32 H new ATOM 1669 N ALA A 106 -3.701 5.729 -12.617 1.00 0.64 N ATOM 1670 CA ALA A 106 -4.161 6.702 -13.608 1.00 0.99 C ATOM 1671 C ALA A 106 -3.802 6.271 -15.046 1.00 1.85 C ATOM 1672 O ALA A 106 -2.943 5.414 -15.264 1.00 2.88 O ATOM 1673 CB ALA A 106 -3.580 8.079 -13.260 1.00 1.05 C ATOM 0 H ALA A 106 -2.974 6.090 -11.998 1.00 0.64 H new ATOM 0 HA ALA A 106 -5.249 6.757 -13.576 1.00 0.99 H new ATOM 0 HB1 ALA A 106 -3.917 8.812 -13.993 1.00 1.05 H new ATOM 0 HB2 ALA A 106 -3.918 8.376 -12.267 1.00 1.05 H new ATOM 0 HB3 ALA A 106 -2.491 8.028 -13.272 1.00 1.05 H new ATOM 1679 N GLY A 107 -4.461 6.874 -16.042 1.00 2.49 N ATOM 1680 CA GLY A 107 -4.222 6.577 -17.465 1.00 3.51 C ATOM 1681 C GLY A 107 -4.854 5.264 -17.934 1.00 3.28 C ATOM 1682 O GLY A 107 -4.351 4.643 -18.872 1.00 4.70 O ATOM 0 H GLY A 107 -5.177 7.584 -15.887 1.00 2.49 H new ATOM 0 HA2 GLY A 107 -4.615 7.395 -18.069 1.00 3.51 H new ATOM 0 HA3 GLY A 107 -3.147 6.537 -17.643 1.00 3.51 H new ATOM 1686 N GLY A 108 -5.915 4.807 -17.255 1.00 1.84 N ATOM 1687 CA GLY A 108 -6.654 3.587 -17.599 1.00 1.65 C ATOM 1688 C GLY A 108 -5.820 2.342 -17.318 1.00 1.52 C ATOM 1689 O GLY A 108 -5.456 1.623 -18.253 1.00 2.11 O ATOM 0 H GLY A 108 -6.290 5.285 -16.436 1.00 1.84 H new ATOM 0 HA2 GLY A 108 -7.580 3.545 -17.025 1.00 1.65 H new ATOM 0 HA3 GLY A 108 -6.932 3.612 -18.653 1.00 1.65 H new ATOM 1693 N LYS A 109 -5.430 2.138 -16.055 1.00 0.97 N ATOM 1694 CA LYS A 109 -4.513 1.108 -15.628 1.00 0.98 C ATOM 1695 C LYS A 109 -4.888 0.521 -14.261 1.00 0.91 C ATOM 1696 O LYS A 109 -5.618 1.102 -13.467 1.00 0.75 O ATOM 1697 CB LYS A 109 -3.139 1.771 -15.516 1.00 0.94 C ATOM 1698 CG LYS A 109 -2.461 2.215 -16.801 1.00 1.54 C ATOM 1699 CD LYS A 109 -2.175 1.108 -17.822 1.00 2.00 C ATOM 1700 CE LYS A 109 -1.852 1.727 -19.187 1.00 2.76 C ATOM 1701 NZ LYS A 109 -3.069 2.289 -19.837 1.00 3.68 N ATOM 0 H LYS A 109 -5.764 2.714 -15.283 1.00 0.97 H new ATOM 0 HA LYS A 109 -4.533 0.288 -16.345 1.00 0.98 H new ATOM 0 HB2 LYS A 109 -3.240 2.644 -14.871 1.00 0.94 H new ATOM 0 HB3 LYS A 109 -2.471 1.075 -15.008 1.00 0.94 H new ATOM 0 HG2 LYS A 109 -3.087 2.970 -17.277 1.00 1.54 H new ATOM 0 HG3 LYS A 109 -1.518 2.698 -16.544 1.00 1.54 H new ATOM 0 HD2 LYS A 109 -1.339 0.496 -17.483 1.00 2.00 H new ATOM 0 HD3 LYS A 109 -3.038 0.448 -17.907 1.00 2.00 H new ATOM 0 HE2 LYS A 109 -1.109 2.514 -19.063 1.00 2.76 H new ATOM 0 HE3 LYS A 109 -1.410 0.970 -19.835 1.00 2.76 H new ATOM 0 HZ1 LYS A 109 -2.977 2.214 -20.870 1.00 3.68 H new ATOM 0 HZ2 LYS A 109 -3.906 1.757 -19.525 1.00 3.68 H new ATOM 0 HZ3 LYS A 109 -3.175 3.289 -19.570 1.00 3.68 H new ATOM 1715 N VAL A 110 -4.266 -0.614 -13.993 1.00 1.51 N ATOM 1716 CA VAL A 110 -4.327 -1.444 -12.791 1.00 1.45 C ATOM 1717 C VAL A 110 -3.226 -2.499 -12.913 1.00 1.78 C ATOM 1718 O VAL A 110 -2.936 -2.935 -14.028 1.00 2.15 O ATOM 1719 CB VAL A 110 -5.728 -2.071 -12.611 1.00 1.57 C ATOM 1720 CG1 VAL A 110 -6.128 -2.997 -13.771 1.00 2.19 C ATOM 1721 CG2 VAL A 110 -5.915 -2.813 -11.275 1.00 1.48 C ATOM 0 H VAL A 110 -3.637 -1.025 -14.683 1.00 1.51 H new ATOM 0 HA VAL A 110 -4.162 -0.843 -11.897 1.00 1.45 H new ATOM 0 HB VAL A 110 -6.395 -1.209 -12.607 1.00 1.57 H new ATOM 0 HG11 VAL A 110 -7.121 -3.405 -13.585 1.00 2.19 H new ATOM 0 HG12 VAL A 110 -6.137 -2.430 -14.702 1.00 2.19 H new ATOM 0 HG13 VAL A 110 -5.409 -3.813 -13.850 1.00 2.19 H new ATOM 0 HG21 VAL A 110 -6.923 -3.224 -11.225 1.00 1.48 H new ATOM 0 HG22 VAL A 110 -5.189 -3.623 -11.204 1.00 1.48 H new ATOM 0 HG23 VAL A 110 -5.765 -2.118 -10.449 1.00 1.48 H new ATOM 1731 N LEU A 111 -2.597 -2.867 -11.798 1.00 1.67 N ATOM 1732 CA LEU A 111 -1.557 -3.891 -11.711 1.00 1.98 C ATOM 1733 C LEU A 111 -1.835 -4.734 -10.465 1.00 1.93 C ATOM 1734 O LEU A 111 -1.513 -4.356 -9.339 1.00 1.94 O ATOM 1735 CB LEU A 111 -0.169 -3.225 -11.665 1.00 2.07 C ATOM 1736 CG LEU A 111 0.250 -2.478 -12.953 1.00 2.11 C ATOM 1737 CD1 LEU A 111 1.560 -1.706 -12.741 1.00 2.69 C ATOM 1738 CD2 LEU A 111 0.438 -3.430 -14.146 1.00 2.57 C ATOM 0 H LEU A 111 -2.806 -2.443 -10.894 1.00 1.67 H new ATOM 0 HA LEU A 111 -1.566 -4.540 -12.587 1.00 1.98 H new ATOM 0 HB2 LEU A 111 -0.150 -2.520 -10.834 1.00 2.07 H new ATOM 0 HB3 LEU A 111 0.576 -3.991 -11.450 1.00 2.07 H new ATOM 0 HG LEU A 111 -0.563 -1.787 -13.178 1.00 2.11 H new ATOM 0 HD11 LEU A 111 1.831 -1.190 -13.662 1.00 2.69 H new ATOM 0 HD12 LEU A 111 1.427 -0.976 -11.942 1.00 2.69 H new ATOM 0 HD13 LEU A 111 2.353 -2.403 -12.468 1.00 2.69 H new ATOM 0 HD21 LEU A 111 0.732 -2.857 -15.026 1.00 2.57 H new ATOM 0 HD22 LEU A 111 1.214 -4.158 -13.911 1.00 2.57 H new ATOM 0 HD23 LEU A 111 -0.499 -3.950 -14.348 1.00 2.57 H new ATOM 1750 N LYS A 112 -2.494 -5.868 -10.673 1.00 1.83 N ATOM 1751 CA LYS A 112 -2.827 -6.810 -9.602 1.00 1.76 C ATOM 1752 C LYS A 112 -1.658 -7.735 -9.233 1.00 1.68 C ATOM 1753 O LYS A 112 -0.912 -8.179 -10.109 1.00 1.86 O ATOM 1754 CB LYS A 112 -4.098 -7.600 -9.942 1.00 1.85 C ATOM 1755 CG LYS A 112 -4.031 -8.403 -11.251 1.00 2.58 C ATOM 1756 CD LYS A 112 -4.983 -9.608 -11.310 1.00 2.66 C ATOM 1757 CE LYS A 112 -6.462 -9.310 -11.021 1.00 2.07 C ATOM 1758 NZ LYS A 112 -6.749 -9.318 -9.572 1.00 2.45 N ATOM 0 H LYS A 112 -2.816 -6.165 -11.594 1.00 1.83 H new ATOM 0 HA LYS A 112 -3.028 -6.217 -8.710 1.00 1.76 H new ATOM 0 HB2 LYS A 112 -4.312 -8.286 -9.123 1.00 1.85 H new ATOM 0 HB3 LYS A 112 -4.935 -6.905 -10.002 1.00 1.85 H new ATOM 0 HG2 LYS A 112 -4.257 -7.736 -12.083 1.00 2.58 H new ATOM 0 HG3 LYS A 112 -3.010 -8.756 -11.394 1.00 2.58 H new ATOM 0 HD2 LYS A 112 -4.910 -10.056 -12.301 1.00 2.66 H new ATOM 0 HD3 LYS A 112 -4.637 -10.355 -10.596 1.00 2.66 H new ATOM 0 HE2 LYS A 112 -6.726 -8.338 -11.439 1.00 2.07 H new ATOM 0 HE3 LYS A 112 -7.087 -10.051 -11.520 1.00 2.07 H new ATOM 0 HZ1 LYS A 112 -7.449 -10.058 -9.361 1.00 2.45 H new ATOM 0 HZ2 LYS A 112 -5.873 -9.510 -9.046 1.00 2.45 H new ATOM 0 HZ3 LYS A 112 -7.128 -8.392 -9.288 1.00 2.45 H new ATOM 1772 N VAL A 113 -1.523 -8.046 -7.945 1.00 1.49 N ATOM 1773 CA VAL A 113 -0.515 -8.977 -7.416 1.00 1.47 C ATOM 1774 C VAL A 113 -1.100 -9.767 -6.245 1.00 1.38 C ATOM 1775 O VAL A 113 -1.826 -9.208 -5.426 1.00 1.59 O ATOM 1776 CB VAL A 113 0.795 -8.263 -6.996 1.00 1.63 C ATOM 1777 CG1 VAL A 113 1.468 -7.529 -8.169 1.00 1.70 C ATOM 1778 CG2 VAL A 113 0.631 -7.264 -5.843 1.00 1.88 C ATOM 0 H VAL A 113 -2.122 -7.651 -7.220 1.00 1.49 H new ATOM 0 HA VAL A 113 -0.250 -9.663 -8.221 1.00 1.47 H new ATOM 0 HB VAL A 113 1.426 -9.082 -6.650 1.00 1.63 H new ATOM 0 HG11 VAL A 113 2.381 -7.046 -7.820 1.00 1.70 H new ATOM 0 HG12 VAL A 113 1.713 -8.245 -8.954 1.00 1.70 H new ATOM 0 HG13 VAL A 113 0.787 -6.775 -8.565 1.00 1.70 H new ATOM 0 HG21 VAL A 113 1.596 -6.811 -5.614 1.00 1.88 H new ATOM 0 HG22 VAL A 113 -0.076 -6.486 -6.133 1.00 1.88 H new ATOM 0 HG23 VAL A 113 0.256 -7.784 -4.961 1.00 1.88 H new ATOM 1788 N VAL A 114 -0.769 -11.059 -6.173 1.00 1.22 N ATOM 1789 CA VAL A 114 -1.101 -11.924 -5.029 1.00 1.15 C ATOM 1790 C VAL A 114 0.032 -11.869 -3.996 1.00 1.16 C ATOM 1791 O VAL A 114 1.197 -11.712 -4.371 1.00 1.27 O ATOM 1792 CB VAL A 114 -1.436 -13.367 -5.476 1.00 1.23 C ATOM 1793 CG1 VAL A 114 -0.217 -14.129 -6.028 1.00 2.03 C ATOM 1794 CG2 VAL A 114 -2.121 -14.167 -4.359 1.00 1.64 C ATOM 0 H VAL A 114 -0.258 -11.542 -6.912 1.00 1.22 H new ATOM 0 HA VAL A 114 -2.007 -11.549 -4.553 1.00 1.15 H new ATOM 0 HB VAL A 114 -2.141 -13.262 -6.301 1.00 1.23 H new ATOM 0 HG11 VAL A 114 -0.519 -15.134 -6.324 1.00 2.03 H new ATOM 0 HG12 VAL A 114 0.181 -13.600 -6.894 1.00 2.03 H new ATOM 0 HG13 VAL A 114 0.551 -14.193 -5.258 1.00 2.03 H new ATOM 0 HG21 VAL A 114 -2.339 -15.174 -4.714 1.00 1.64 H new ATOM 0 HG22 VAL A 114 -1.461 -14.222 -3.494 1.00 1.64 H new ATOM 0 HG23 VAL A 114 -3.050 -13.673 -4.075 1.00 1.64 H new ATOM 1804 N LEU A 115 -0.304 -11.955 -2.706 1.00 1.14 N ATOM 1805 CA LEU A 115 0.639 -11.861 -1.583 1.00 1.20 C ATOM 1806 C LEU A 115 0.055 -12.390 -0.252 1.00 1.03 C ATOM 1807 O LEU A 115 -1.162 -12.332 -0.055 1.00 1.01 O ATOM 1808 CB LEU A 115 1.194 -10.421 -1.461 1.00 1.52 C ATOM 1809 CG LEU A 115 0.193 -9.262 -1.681 1.00 1.36 C ATOM 1810 CD1 LEU A 115 -0.892 -9.186 -0.606 1.00 2.84 C ATOM 1811 CD2 LEU A 115 0.946 -7.934 -1.669 1.00 1.91 C ATOM 0 H LEU A 115 -1.268 -12.096 -2.403 1.00 1.14 H new ATOM 0 HA LEU A 115 1.475 -12.524 -1.805 1.00 1.20 H new ATOM 0 HB2 LEU A 115 1.630 -10.309 -0.468 1.00 1.52 H new ATOM 0 HB3 LEU A 115 2.006 -10.309 -2.180 1.00 1.52 H new ATOM 0 HG LEU A 115 -0.291 -9.453 -2.639 1.00 1.36 H new ATOM 0 HD11 LEU A 115 -1.560 -8.352 -0.821 1.00 2.84 H new ATOM 0 HD12 LEU A 115 -1.463 -10.115 -0.599 1.00 2.84 H new ATOM 0 HD13 LEU A 115 -0.428 -9.037 0.369 1.00 2.84 H new ATOM 0 HD21 LEU A 115 0.243 -7.116 -1.824 1.00 1.91 H new ATOM 0 HD22 LEU A 115 1.445 -7.807 -0.708 1.00 1.91 H new ATOM 0 HD23 LEU A 115 1.689 -7.930 -2.467 1.00 1.91 H new ATOM 1823 N PRO A 116 0.900 -12.871 0.680 1.00 1.05 N ATOM 1824 CA PRO A 116 0.448 -13.477 1.924 1.00 1.03 C ATOM 1825 C PRO A 116 -0.074 -12.445 2.923 1.00 0.92 C ATOM 1826 O PRO A 116 0.246 -11.256 2.872 1.00 0.84 O ATOM 1827 CB PRO A 116 1.664 -14.224 2.484 1.00 1.21 C ATOM 1828 CG PRO A 116 2.836 -13.414 1.933 1.00 1.24 C ATOM 1829 CD PRO A 116 2.335 -13.062 0.536 1.00 1.18 C ATOM 0 HA PRO A 116 -0.394 -14.145 1.742 1.00 1.03 H new ATOM 0 HB2 PRO A 116 1.661 -14.243 3.574 1.00 1.21 H new ATOM 0 HB3 PRO A 116 1.694 -15.260 2.147 1.00 1.21 H new ATOM 0 HG2 PRO A 116 3.038 -12.526 2.532 1.00 1.24 H new ATOM 0 HG3 PRO A 116 3.758 -13.995 1.904 1.00 1.24 H new ATOM 0 HD2 PRO A 116 2.816 -12.159 0.161 1.00 1.18 H new ATOM 0 HD3 PRO A 116 2.557 -13.859 -0.174 1.00 1.18 H new ATOM 1837 N VAL A 117 -0.838 -12.927 3.898 1.00 1.03 N ATOM 1838 CA VAL A 117 -1.134 -12.216 5.128 1.00 1.08 C ATOM 1839 C VAL A 117 -0.126 -12.617 6.216 1.00 1.09 C ATOM 1840 O VAL A 117 0.055 -13.801 6.505 1.00 1.18 O ATOM 1841 CB VAL A 117 -2.579 -12.504 5.582 1.00 1.21 C ATOM 1842 CG1 VAL A 117 -2.836 -11.654 6.824 1.00 1.43 C ATOM 1843 CG2 VAL A 117 -3.605 -12.176 4.489 1.00 1.09 C ATOM 0 H VAL A 117 -1.277 -13.846 3.849 1.00 1.03 H new ATOM 0 HA VAL A 117 -1.046 -11.144 4.951 1.00 1.08 H new ATOM 0 HB VAL A 117 -2.690 -13.567 5.797 1.00 1.21 H new ATOM 0 HG11 VAL A 117 -3.851 -11.828 7.180 1.00 1.43 H new ATOM 0 HG12 VAL A 117 -2.126 -11.927 7.605 1.00 1.43 H new ATOM 0 HG13 VAL A 117 -2.714 -10.600 6.575 1.00 1.43 H new ATOM 0 HG21 VAL A 117 -4.608 -12.395 4.854 1.00 1.09 H new ATOM 0 HG22 VAL A 117 -3.536 -11.119 4.230 1.00 1.09 H new ATOM 0 HG23 VAL A 117 -3.401 -12.780 3.605 1.00 1.09 H new ATOM 1853 N GLU A 118 0.458 -11.619 6.879 1.00 1.08 N ATOM 1854 CA GLU A 118 1.044 -11.736 8.217 1.00 1.10 C ATOM 1855 C GLU A 118 0.128 -11.024 9.227 1.00 1.17 C ATOM 1856 O GLU A 118 -0.736 -10.247 8.833 1.00 1.17 O ATOM 1857 CB GLU A 118 2.441 -11.108 8.258 1.00 1.33 C ATOM 1858 CG GLU A 118 3.473 -11.832 7.385 1.00 1.81 C ATOM 1859 CD GLU A 118 4.881 -11.362 7.748 1.00 2.43 C ATOM 1860 OE1 GLU A 118 5.053 -10.129 7.879 1.00 3.15 O ATOM 1861 OE2 GLU A 118 5.749 -12.232 7.958 1.00 3.45 O ATOM 0 H GLU A 118 0.539 -10.680 6.490 1.00 1.08 H new ATOM 0 HA GLU A 118 1.137 -12.792 8.472 1.00 1.10 H new ATOM 0 HB2 GLU A 118 2.371 -10.069 7.935 1.00 1.33 H new ATOM 0 HB3 GLU A 118 2.794 -11.099 9.289 1.00 1.33 H new ATOM 0 HG2 GLU A 118 3.392 -12.910 7.528 1.00 1.81 H new ATOM 0 HG3 GLU A 118 3.274 -11.634 6.332 1.00 1.81 H new ATOM 1868 N ALA A 119 0.294 -11.268 10.532 1.00 1.43 N ATOM 1869 CA ALA A 119 -0.569 -10.685 11.564 1.00 1.67 C ATOM 1870 C ALA A 119 0.190 -9.750 12.514 1.00 1.99 C ATOM 1871 O ALA A 119 1.020 -10.227 13.288 1.00 2.46 O ATOM 1872 CB ALA A 119 -1.265 -11.818 12.334 1.00 2.06 C ATOM 0 H ALA A 119 1.028 -11.873 10.901 1.00 1.43 H new ATOM 0 HA ALA A 119 -1.316 -10.063 11.071 1.00 1.67 H new ATOM 0 HB1 ALA A 119 -1.909 -11.393 13.104 1.00 2.06 H new ATOM 0 HB2 ALA A 119 -1.866 -12.411 11.645 1.00 2.06 H new ATOM 0 HB3 ALA A 119 -0.514 -12.456 12.801 1.00 2.06 H new ATOM 1878 N ARG A 120 -0.179 -8.459 12.489 1.00 2.28 N ATOM 1879 CA ARG A 120 0.191 -7.397 13.451 1.00 2.85 C ATOM 1880 C ARG A 120 1.652 -6.944 13.317 1.00 2.99 C ATOM 1881 O ARG A 120 1.844 -5.874 12.718 1.00 3.97 O ATOM 1882 CB ARG A 120 -0.313 -7.780 14.863 1.00 3.78 C ATOM 1883 CG ARG A 120 0.148 -6.866 16.016 1.00 4.93 C ATOM 1884 CD ARG A 120 1.030 -7.608 17.038 1.00 5.21 C ATOM 1885 NE ARG A 120 2.183 -8.223 16.366 1.00 4.97 N ATOM 1886 CZ ARG A 120 2.436 -9.506 16.220 1.00 5.10 C ATOM 1887 NH1 ARG A 120 1.983 -10.426 17.021 1.00 5.49 N ATOM 1888 NH2 ARG A 120 3.129 -9.870 15.192 1.00 5.68 N ATOM 1889 OXT ARG A 120 2.595 -7.639 13.752 1.00 3.42 O ATOM 0 H ARG A 120 -0.783 -8.101 11.749 1.00 2.28 H new ATOM 0 HA ARG A 120 -0.329 -6.470 13.209 1.00 2.85 H new ATOM 0 HB2 ARG A 120 -1.403 -7.791 14.848 1.00 3.78 H new ATOM 0 HB3 ARG A 120 0.013 -8.797 15.080 1.00 3.78 H new ATOM 0 HG2 ARG A 120 0.703 -6.022 15.607 1.00 4.93 H new ATOM 0 HG3 ARG A 120 -0.726 -6.457 16.523 1.00 4.93 H new ATOM 0 HD2 ARG A 120 1.375 -6.913 17.803 1.00 5.21 H new ATOM 0 HD3 ARG A 120 0.444 -8.375 17.545 1.00 5.21 H new ATOM 0 HE ARG A 120 2.867 -7.581 15.966 1.00 4.97 H new ATOM 0 HH11 ARG A 120 1.397 -10.168 17.815 1.00 5.49 H new ATOM 0 HH12 ARG A 120 2.214 -11.406 16.855 1.00 5.49 H new ATOM 0 HH21 ARG A 120 3.460 -9.171 14.527 1.00 5.68 H new ATOM 0 HH22 ARG A 120 3.345 -10.856 15.046 1.00 5.68 H new