USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.562 K(o=1.1,f=-2.5!) USER MOD Set 1.2: A 48 THR OG1 : rot 94:sc= 0.917 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.715 K(o=1.1,f=-3.1!) USER MOD Single : A 11 SER OG : rot -170:sc= 1.29 USER MOD Single : A 15 ASN : amide:sc= -0.0214 K(o=-0.021,f=-2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 24 ASN : amide:sc= 0.442 K(o=0.44,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 82:sc= -0.366 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 0.566 (180deg=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= 1.05 (180deg=-0.995!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.0074 (180deg=-0.141) USER MOD Single : A 72 LYS NZ :NH3+ -101:sc= 0.699! (180deg=-0.0266!) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 1.41 (180deg=1.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= 0.343 (180deg=-1.29!) USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= 0.604 (180deg=-1.61!) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 1.12 (180deg=0.855) USER MOD Single : A 112 LYS NZ :NH3+ -137:sc= 0.435 (180deg=-0.896!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.667 1.550 5.890 1.00 1.24 N ATOM 56 CA GLU A 5 8.877 1.113 7.049 1.00 1.08 C ATOM 57 C GLU A 5 7.385 0.929 6.697 1.00 1.01 C ATOM 58 O GLU A 5 6.739 1.831 6.160 1.00 1.56 O ATOM 59 CB GLU A 5 9.142 2.056 8.245 1.00 1.96 C ATOM 60 CG GLU A 5 8.822 3.546 8.018 1.00 3.13 C ATOM 61 CD GLU A 5 9.582 4.474 8.972 1.00 3.92 C ATOM 62 OE1 GLU A 5 9.683 4.158 10.174 1.00 4.65 O ATOM 63 OE2 GLU A 5 10.092 5.512 8.482 1.00 4.47 O ATOM 0 HA GLU A 5 9.201 0.119 7.356 1.00 1.08 H new ATOM 0 HB2 GLU A 5 8.556 1.705 9.095 1.00 1.96 H new ATOM 0 HB3 GLU A 5 10.192 1.969 8.524 1.00 1.96 H new ATOM 0 HG2 GLU A 5 9.067 3.812 6.990 1.00 3.13 H new ATOM 0 HG3 GLU A 5 7.751 3.705 8.142 1.00 3.13 H new ATOM 70 N GLY A 6 6.841 -0.273 6.945 1.00 1.04 N ATOM 71 CA GLY A 6 5.435 -0.621 6.697 1.00 1.02 C ATOM 72 C GLY A 6 4.925 -1.833 7.478 1.00 0.98 C ATOM 73 O GLY A 6 5.695 -2.514 8.153 1.00 1.28 O ATOM 0 H GLY A 6 7.380 -1.047 7.333 1.00 1.04 H new ATOM 0 HA2 GLY A 6 4.814 0.240 6.944 1.00 1.02 H new ATOM 0 HA3 GLY A 6 5.306 -0.813 5.632 1.00 1.02 H new ATOM 77 N TRP A 7 3.640 -2.158 7.276 1.00 0.86 N ATOM 78 CA TRP A 7 3.038 -3.442 7.608 1.00 0.80 C ATOM 79 C TRP A 7 1.932 -3.855 6.617 1.00 0.68 C ATOM 80 O TRP A 7 1.165 -3.028 6.118 1.00 0.75 O ATOM 81 CB TRP A 7 2.493 -3.436 9.037 1.00 1.07 C ATOM 82 CG TRP A 7 1.269 -2.609 9.304 1.00 1.22 C ATOM 83 CD1 TRP A 7 -0.010 -3.058 9.314 1.00 1.45 C ATOM 84 CD2 TRP A 7 1.192 -1.198 9.659 1.00 1.51 C ATOM 85 NE1 TRP A 7 -0.859 -2.049 9.722 1.00 1.70 N ATOM 86 CE2 TRP A 7 -0.173 -0.868 9.909 1.00 1.75 C ATOM 87 CE3 TRP A 7 2.144 -0.165 9.810 1.00 1.82 C ATOM 88 CZ2 TRP A 7 -0.576 0.425 10.272 1.00 2.16 C ATOM 89 CZ3 TRP A 7 1.753 1.135 10.182 1.00 2.29 C ATOM 90 CH2 TRP A 7 0.399 1.430 10.418 1.00 2.41 C ATOM 0 H TRP A 7 2.974 -1.506 6.862 1.00 0.86 H new ATOM 0 HA TRP A 7 3.832 -4.185 7.532 1.00 0.80 H new ATOM 0 HB2 TRP A 7 2.272 -4.466 9.318 1.00 1.07 H new ATOM 0 HB3 TRP A 7 3.286 -3.088 9.699 1.00 1.07 H new ATOM 0 HD1 TRP A 7 -0.319 -4.057 9.043 1.00 1.45 H new ATOM 0 HE1 TRP A 7 -1.862 -2.162 9.866 1.00 1.70 H new ATOM 0 HE3 TRP A 7 3.189 -0.376 9.637 1.00 1.82 H new ATOM 0 HZ2 TRP A 7 -1.620 0.647 10.437 1.00 2.16 H new ATOM 0 HZ3 TRP A 7 2.498 1.910 10.287 1.00 2.29 H new ATOM 0 HH2 TRP A 7 0.107 2.427 10.711 1.00 2.41 H new ATOM 101 N VAL A 8 1.810 -5.161 6.374 1.00 0.86 N ATOM 102 CA VAL A 8 0.681 -5.780 5.650 1.00 1.03 C ATOM 103 C VAL A 8 -0.438 -6.070 6.662 1.00 1.23 C ATOM 104 O VAL A 8 -0.160 -6.294 7.843 1.00 1.31 O ATOM 105 CB VAL A 8 1.106 -7.055 4.876 1.00 1.15 C ATOM 106 CG1 VAL A 8 -0.004 -7.620 3.973 1.00 1.44 C ATOM 107 CG2 VAL A 8 2.329 -6.775 3.984 1.00 1.08 C ATOM 0 H VAL A 8 2.507 -5.840 6.680 1.00 0.86 H new ATOM 0 HA VAL A 8 0.318 -5.088 4.890 1.00 1.03 H new ATOM 0 HB VAL A 8 1.338 -7.790 5.647 1.00 1.15 H new ATOM 0 HG11 VAL A 8 0.361 -8.511 3.462 1.00 1.44 H new ATOM 0 HG12 VAL A 8 -0.870 -7.880 4.581 1.00 1.44 H new ATOM 0 HG13 VAL A 8 -0.290 -6.870 3.236 1.00 1.44 H new ATOM 0 HG21 VAL A 8 2.607 -7.685 3.452 1.00 1.08 H new ATOM 0 HG22 VAL A 8 2.083 -5.994 3.264 1.00 1.08 H new ATOM 0 HG23 VAL A 8 3.164 -6.447 4.604 1.00 1.08 H new ATOM 117 N ARG A 9 -1.701 -6.035 6.221 1.00 1.51 N ATOM 118 CA ARG A 9 -2.871 -6.208 7.089 1.00 1.76 C ATOM 119 C ARG A 9 -3.231 -7.679 7.330 1.00 2.01 C ATOM 120 O ARG A 9 -3.098 -8.546 6.472 1.00 3.68 O ATOM 121 CB ARG A 9 -4.082 -5.413 6.556 1.00 1.89 C ATOM 122 CG ARG A 9 -4.585 -4.337 7.532 1.00 1.60 C ATOM 123 CD ARG A 9 -5.187 -4.891 8.829 1.00 2.28 C ATOM 124 NE ARG A 9 -5.711 -3.808 9.672 1.00 2.58 N ATOM 125 CZ ARG A 9 -6.963 -3.397 9.824 1.00 3.16 C ATOM 126 NH1 ARG A 9 -7.969 -3.947 9.174 1.00 3.77 N ATOM 127 NH2 ARG A 9 -7.230 -2.408 10.646 1.00 3.82 N ATOM 0 H ARG A 9 -1.942 -5.884 5.241 1.00 1.51 H new ATOM 0 HA ARG A 9 -2.594 -5.801 8.062 1.00 1.76 H new ATOM 0 HB2 ARG A 9 -3.809 -4.939 5.613 1.00 1.89 H new ATOM 0 HB3 ARG A 9 -4.895 -6.106 6.340 1.00 1.89 H new ATOM 0 HG2 ARG A 9 -3.756 -3.676 7.784 1.00 1.60 H new ATOM 0 HG3 ARG A 9 -5.336 -3.729 7.028 1.00 1.60 H new ATOM 0 HD2 ARG A 9 -5.988 -5.592 8.592 1.00 2.28 H new ATOM 0 HD3 ARG A 9 -4.428 -5.448 9.377 1.00 2.28 H new ATOM 0 HE ARG A 9 -5.014 -3.301 10.217 1.00 2.58 H new ATOM 0 HH11 ARG A 9 -7.798 -4.717 8.527 1.00 3.77 H new ATOM 0 HH12 ARG A 9 -8.918 -3.603 9.318 1.00 3.77 H new ATOM 0 HH21 ARG A 9 -6.476 -1.958 11.165 1.00 3.82 H new ATOM 0 HH22 ARG A 9 -8.192 -2.089 10.765 1.00 3.82 H new ATOM 141 N PHE A 10 -3.798 -7.888 8.510 1.00 0.93 N ATOM 142 CA PHE A 10 -4.254 -9.144 9.088 1.00 0.88 C ATOM 143 C PHE A 10 -5.579 -9.584 8.458 1.00 0.89 C ATOM 144 O PHE A 10 -6.503 -8.775 8.358 1.00 1.02 O ATOM 145 CB PHE A 10 -4.406 -8.903 10.595 1.00 0.95 C ATOM 146 CG PHE A 10 -4.928 -10.085 11.380 1.00 1.05 C ATOM 147 CD1 PHE A 10 -4.022 -11.012 11.919 1.00 1.91 C ATOM 148 CD2 PHE A 10 -6.309 -10.255 11.584 1.00 1.95 C ATOM 149 CE1 PHE A 10 -4.492 -12.109 12.662 1.00 2.11 C ATOM 150 CE2 PHE A 10 -6.781 -11.354 12.325 1.00 2.08 C ATOM 151 CZ PHE A 10 -5.873 -12.279 12.867 1.00 1.57 C ATOM 0 H PHE A 10 -3.966 -7.109 9.146 1.00 0.93 H new ATOM 0 HA PHE A 10 -3.541 -9.946 8.897 1.00 0.88 H new ATOM 0 HB2 PHE A 10 -3.436 -8.615 11.002 1.00 0.95 H new ATOM 0 HB3 PHE A 10 -5.079 -8.059 10.747 1.00 0.95 H new ATOM 0 HD1 PHE A 10 -2.961 -10.882 11.762 1.00 1.91 H new ATOM 0 HD2 PHE A 10 -7.007 -9.542 11.172 1.00 1.95 H new ATOM 0 HE1 PHE A 10 -3.793 -12.821 13.075 1.00 2.11 H new ATOM 0 HE2 PHE A 10 -7.842 -11.487 12.477 1.00 2.08 H new ATOM 0 HZ PHE A 10 -6.235 -13.120 13.440 1.00 1.57 H new ATOM 161 N SER A 11 -5.672 -10.863 8.092 1.00 0.91 N ATOM 162 CA SER A 11 -6.838 -11.496 7.455 1.00 0.96 C ATOM 163 C SER A 11 -6.562 -12.963 7.070 1.00 0.95 C ATOM 164 O SER A 11 -5.530 -13.230 6.454 1.00 1.03 O ATOM 165 CB SER A 11 -7.245 -10.764 6.170 1.00 1.13 C ATOM 166 OG SER A 11 -8.405 -11.354 5.617 1.00 2.37 O ATOM 0 H SER A 11 -4.905 -11.519 8.236 1.00 0.91 H new ATOM 0 HA SER A 11 -7.636 -11.446 8.195 1.00 0.96 H new ATOM 0 HB2 SER A 11 -7.431 -9.712 6.386 1.00 1.13 H new ATOM 0 HB3 SER A 11 -6.430 -10.802 5.448 1.00 1.13 H new ATOM 0 HG SER A 11 -8.567 -10.982 4.725 1.00 2.37 H new ATOM 172 N PRO A 12 -7.485 -13.912 7.330 1.00 1.07 N ATOM 173 CA PRO A 12 -7.373 -15.280 6.815 1.00 1.15 C ATOM 174 C PRO A 12 -7.624 -15.361 5.301 1.00 0.99 C ATOM 175 O PRO A 12 -7.148 -16.283 4.641 1.00 1.11 O ATOM 176 CB PRO A 12 -8.444 -16.058 7.578 1.00 1.39 C ATOM 177 CG PRO A 12 -9.541 -15.024 7.831 1.00 1.39 C ATOM 178 CD PRO A 12 -8.746 -13.736 8.043 1.00 1.25 C ATOM 0 HA PRO A 12 -6.368 -15.677 6.959 1.00 1.15 H new ATOM 0 HB2 PRO A 12 -8.816 -16.901 6.996 1.00 1.39 H new ATOM 0 HB3 PRO A 12 -8.054 -16.463 8.512 1.00 1.39 H new ATOM 0 HG2 PRO A 12 -10.224 -14.944 6.986 1.00 1.39 H new ATOM 0 HG3 PRO A 12 -10.142 -15.277 8.704 1.00 1.39 H new ATOM 0 HD2 PRO A 12 -9.292 -12.874 7.660 1.00 1.25 H new ATOM 0 HD3 PRO A 12 -8.571 -13.557 9.104 1.00 1.25 H new ATOM 186 N GLY A 13 -8.375 -14.389 4.777 1.00 0.83 N ATOM 187 CA GLY A 13 -8.884 -14.309 3.409 1.00 0.76 C ATOM 188 C GLY A 13 -10.332 -13.791 3.379 1.00 0.75 C ATOM 189 O GLY A 13 -10.955 -13.656 4.433 1.00 0.85 O ATOM 0 H GLY A 13 -8.661 -13.585 5.335 1.00 0.83 H new ATOM 0 HA2 GLY A 13 -8.247 -13.649 2.820 1.00 0.76 H new ATOM 0 HA3 GLY A 13 -8.838 -15.294 2.944 1.00 0.76 H new ATOM 193 N PRO A 14 -10.893 -13.495 2.190 1.00 0.74 N ATOM 194 CA PRO A 14 -10.270 -13.618 0.872 1.00 0.76 C ATOM 195 C PRO A 14 -9.326 -12.452 0.534 1.00 0.70 C ATOM 196 O PRO A 14 -8.639 -12.515 -0.482 1.00 0.73 O ATOM 197 CB PRO A 14 -11.456 -13.653 -0.099 1.00 0.90 C ATOM 198 CG PRO A 14 -12.478 -12.736 0.571 1.00 0.92 C ATOM 199 CD PRO A 14 -12.271 -13.035 2.055 1.00 0.84 C ATOM 0 HA PRO A 14 -9.637 -14.504 0.820 1.00 0.76 H new ATOM 0 HB2 PRO A 14 -11.178 -13.291 -1.089 1.00 0.90 H new ATOM 0 HB3 PRO A 14 -11.843 -14.664 -0.226 1.00 0.90 H new ATOM 0 HG2 PRO A 14 -12.295 -11.687 0.339 1.00 0.92 H new ATOM 0 HG3 PRO A 14 -13.495 -12.960 0.250 1.00 0.92 H new ATOM 0 HD2 PRO A 14 -12.445 -12.145 2.659 1.00 0.84 H new ATOM 0 HD3 PRO A 14 -12.971 -13.796 2.400 1.00 0.84 H new ATOM 207 N ASN A 15 -9.289 -11.393 1.353 1.00 0.65 N ATOM 208 CA ASN A 15 -8.571 -10.154 1.084 1.00 0.58 C ATOM 209 C ASN A 15 -7.952 -9.516 2.347 1.00 0.54 C ATOM 210 O ASN A 15 -8.365 -9.753 3.481 1.00 0.70 O ATOM 211 CB ASN A 15 -9.502 -9.176 0.341 1.00 0.75 C ATOM 212 CG ASN A 15 -10.739 -8.745 1.121 1.00 1.15 C ATOM 213 OD1 ASN A 15 -11.081 -9.271 2.166 1.00 1.86 O ATOM 214 ND2 ASN A 15 -11.457 -7.758 0.625 1.00 1.56 N ATOM 0 H ASN A 15 -9.776 -11.381 2.249 1.00 0.65 H new ATOM 0 HA ASN A 15 -7.720 -10.395 0.448 1.00 0.58 H new ATOM 0 HB2 ASN A 15 -8.931 -8.287 0.074 1.00 0.75 H new ATOM 0 HB3 ASN A 15 -9.823 -9.641 -0.591 1.00 0.75 H new ATOM 0 HD21 ASN A 15 -12.293 -7.439 1.115 1.00 1.56 H new ATOM 0 HD22 ASN A 15 -11.177 -7.313 -0.249 1.00 1.56 H new ATOM 221 N ALA A 16 -6.941 -8.689 2.108 1.00 0.43 N ATOM 222 CA ALA A 16 -6.072 -7.959 3.047 1.00 0.38 C ATOM 223 C ALA A 16 -5.759 -6.571 2.446 1.00 0.33 C ATOM 224 O ALA A 16 -6.288 -6.202 1.395 1.00 0.35 O ATOM 225 CB ALA A 16 -4.810 -8.807 3.293 1.00 0.39 C ATOM 0 H ALA A 16 -6.674 -8.485 1.145 1.00 0.43 H new ATOM 0 HA ALA A 16 -6.553 -7.795 4.011 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -4.151 -8.285 3.987 1.00 0.39 H new ATOM 0 HB2 ALA A 16 -5.095 -9.769 3.718 1.00 0.39 H new ATOM 0 HB3 ALA A 16 -4.290 -8.967 2.349 1.00 0.39 H new ATOM 231 N ALA A 17 -4.912 -5.785 3.106 1.00 0.37 N ATOM 232 CA ALA A 17 -4.420 -4.489 2.632 1.00 0.39 C ATOM 233 C ALA A 17 -2.916 -4.374 2.944 1.00 0.54 C ATOM 234 O ALA A 17 -2.375 -5.257 3.606 1.00 1.06 O ATOM 235 CB ALA A 17 -5.248 -3.377 3.292 1.00 0.47 C ATOM 0 H ALA A 17 -4.534 -6.040 4.019 1.00 0.37 H new ATOM 0 HA ALA A 17 -4.534 -4.392 1.552 1.00 0.39 H new ATOM 0 HB1 ALA A 17 -4.892 -2.406 2.948 1.00 0.47 H new ATOM 0 HB2 ALA A 17 -6.297 -3.496 3.022 1.00 0.47 H new ATOM 0 HB3 ALA A 17 -5.143 -3.439 4.375 1.00 0.47 H new ATOM 241 N ALA A 18 -2.239 -3.298 2.543 1.00 0.41 N ATOM 242 CA ALA A 18 -0.861 -3.016 2.947 1.00 0.45 C ATOM 243 C ALA A 18 -0.561 -1.512 2.985 1.00 0.44 C ATOM 244 O ALA A 18 -0.944 -0.753 2.086 1.00 0.47 O ATOM 245 CB ALA A 18 0.124 -3.763 2.032 1.00 0.53 C ATOM 0 H ALA A 18 -2.635 -2.591 1.923 1.00 0.41 H new ATOM 0 HA ALA A 18 -0.734 -3.380 3.967 1.00 0.45 H new ATOM 0 HB1 ALA A 18 1.146 -3.545 2.343 1.00 0.53 H new ATOM 0 HB2 ALA A 18 -0.056 -4.836 2.103 1.00 0.53 H new ATOM 0 HB3 ALA A 18 -0.019 -3.438 1.001 1.00 0.53 H new ATOM 251 N TYR A 19 0.161 -1.113 4.030 1.00 0.52 N ATOM 252 CA TYR A 19 0.673 0.230 4.290 1.00 0.54 C ATOM 253 C TYR A 19 2.204 0.158 4.347 1.00 0.61 C ATOM 254 O TYR A 19 2.742 -0.769 4.949 1.00 1.29 O ATOM 255 CB TYR A 19 0.105 0.711 5.635 1.00 0.65 C ATOM 256 CG TYR A 19 -1.369 0.409 5.834 1.00 0.71 C ATOM 257 CD1 TYR A 19 -2.346 1.053 5.054 1.00 1.80 C ATOM 258 CD2 TYR A 19 -1.759 -0.550 6.783 1.00 1.90 C ATOM 259 CE1 TYR A 19 -3.708 0.735 5.228 1.00 1.85 C ATOM 260 CE2 TYR A 19 -3.117 -0.849 6.987 1.00 2.07 C ATOM 261 CZ TYR A 19 -4.098 -0.221 6.192 1.00 1.13 C ATOM 262 OH TYR A 19 -5.415 -0.519 6.356 1.00 1.41 O ATOM 0 H TYR A 19 0.422 -1.766 4.769 1.00 0.52 H new ATOM 0 HA TYR A 19 0.376 0.927 3.507 1.00 0.54 H new ATOM 0 HB2 TYR A 19 0.671 0.247 6.442 1.00 0.65 H new ATOM 0 HB3 TYR A 19 0.258 1.787 5.717 1.00 0.65 H new ATOM 0 HD1 TYR A 19 -2.053 1.791 4.322 1.00 1.80 H new ATOM 0 HD2 TYR A 19 -1.006 -1.064 7.363 1.00 1.90 H new ATOM 0 HE1 TYR A 19 -4.456 1.224 4.622 1.00 1.85 H new ATOM 0 HE2 TYR A 19 -3.408 -1.557 7.749 1.00 2.07 H new ATOM 0 HH TYR A 19 -5.512 -1.196 7.058 1.00 1.41 H new ATOM 272 N LEU A 20 2.919 1.113 3.745 1.00 1.18 N ATOM 273 CA LEU A 20 4.382 1.081 3.590 1.00 1.17 C ATOM 274 C LEU A 20 4.929 2.425 3.124 1.00 0.95 C ATOM 275 O LEU A 20 4.271 3.142 2.369 1.00 0.79 O ATOM 276 CB LEU A 20 4.824 -0.083 2.666 1.00 1.27 C ATOM 277 CG LEU A 20 4.358 0.036 1.195 1.00 1.11 C ATOM 278 CD1 LEU A 20 5.438 0.653 0.289 1.00 1.62 C ATOM 279 CD2 LEU A 20 3.961 -1.333 0.629 1.00 1.67 C ATOM 0 H LEU A 20 2.492 1.947 3.343 1.00 1.18 H new ATOM 0 HA LEU A 20 4.814 0.892 4.573 1.00 1.17 H new ATOM 0 HB2 LEU A 20 5.912 -0.147 2.683 1.00 1.27 H new ATOM 0 HB3 LEU A 20 4.443 -1.018 3.077 1.00 1.27 H new ATOM 0 HG LEU A 20 3.492 0.698 1.204 1.00 1.11 H new ATOM 0 HD11 LEU A 20 5.064 0.715 -0.733 1.00 1.62 H new ATOM 0 HD12 LEU A 20 5.685 1.653 0.647 1.00 1.62 H new ATOM 0 HD13 LEU A 20 6.331 0.029 0.311 1.00 1.62 H new ATOM 0 HD21 LEU A 20 3.638 -1.219 -0.406 1.00 1.67 H new ATOM 0 HD22 LEU A 20 4.818 -2.006 0.670 1.00 1.67 H new ATOM 0 HD23 LEU A 20 3.145 -1.748 1.220 1.00 1.67 H new ATOM 291 N THR A 21 6.150 2.746 3.547 1.00 1.15 N ATOM 292 CA THR A 21 6.805 4.020 3.257 1.00 1.14 C ATOM 293 C THR A 21 7.596 3.948 1.962 1.00 1.22 C ATOM 294 O THR A 21 8.503 3.132 1.819 1.00 1.55 O ATOM 295 CB THR A 21 7.673 4.444 4.434 1.00 1.32 C ATOM 296 OG1 THR A 21 6.842 4.525 5.568 1.00 1.58 O ATOM 297 CG2 THR A 21 8.265 5.828 4.207 1.00 1.76 C ATOM 0 H THR A 21 6.722 2.117 4.111 1.00 1.15 H new ATOM 0 HA THR A 21 6.040 4.783 3.115 1.00 1.14 H new ATOM 0 HB THR A 21 8.481 3.723 4.556 1.00 1.32 H new ATOM 0 HG1 THR A 21 6.702 3.627 5.936 1.00 1.58 H new ATOM 0 HG21 THR A 21 8.880 6.105 5.063 1.00 1.76 H new ATOM 0 HG22 THR A 21 8.879 5.818 3.307 1.00 1.76 H new ATOM 0 HG23 THR A 21 7.460 6.553 4.089 1.00 1.76 H new ATOM 305 N LEU A 22 7.259 4.832 1.025 1.00 1.22 N ATOM 306 CA LEU A 22 7.847 4.906 -0.308 1.00 1.50 C ATOM 307 C LEU A 22 8.843 6.063 -0.342 1.00 1.28 C ATOM 308 O LEU A 22 8.463 7.213 -0.114 1.00 1.37 O ATOM 309 CB LEU A 22 6.709 5.119 -1.322 1.00 2.00 C ATOM 310 CG LEU A 22 6.880 4.485 -2.705 1.00 2.56 C ATOM 311 CD1 LEU A 22 8.277 4.669 -3.316 1.00 2.79 C ATOM 312 CD2 LEU A 22 6.528 3.001 -2.599 1.00 3.10 C ATOM 0 H LEU A 22 6.543 5.541 1.180 1.00 1.22 H new ATOM 0 HA LEU A 22 8.379 3.989 -0.560 1.00 1.50 H new ATOM 0 HB2 LEU A 22 5.789 4.732 -0.884 1.00 2.00 H new ATOM 0 HB3 LEU A 22 6.572 6.192 -1.456 1.00 2.00 H new ATOM 0 HG LEU A 22 6.206 5.003 -3.387 1.00 2.56 H new ATOM 0 HD11 LEU A 22 8.312 4.190 -4.295 1.00 2.79 H new ATOM 0 HD12 LEU A 22 8.489 5.733 -3.425 1.00 2.79 H new ATOM 0 HD13 LEU A 22 9.022 4.215 -2.663 1.00 2.79 H new ATOM 0 HD21 LEU A 22 6.643 2.529 -3.575 1.00 3.10 H new ATOM 0 HD22 LEU A 22 7.193 2.520 -1.882 1.00 3.10 H new ATOM 0 HD23 LEU A 22 5.496 2.895 -2.264 1.00 3.10 H new ATOM 324 N GLU A 23 10.100 5.753 -0.634 1.00 1.13 N ATOM 325 CA GLU A 23 11.223 6.696 -0.581 1.00 0.95 C ATOM 326 C GLU A 23 11.927 6.800 -1.938 1.00 0.89 C ATOM 327 O GLU A 23 12.090 5.803 -2.637 1.00 1.14 O ATOM 328 CB GLU A 23 12.235 6.279 0.498 1.00 1.31 C ATOM 329 CG GLU A 23 11.588 6.003 1.864 1.00 2.62 C ATOM 330 CD GLU A 23 12.618 6.071 2.982 1.00 3.12 C ATOM 331 OE1 GLU A 23 13.667 5.414 2.851 1.00 3.55 O ATOM 332 OE2 GLU A 23 12.380 6.807 3.971 1.00 3.90 O ATOM 0 H GLU A 23 10.380 4.815 -0.922 1.00 1.13 H new ATOM 0 HA GLU A 23 10.815 7.674 -0.327 1.00 0.95 H new ATOM 0 HB2 GLU A 23 12.762 5.384 0.166 1.00 1.31 H new ATOM 0 HB3 GLU A 23 12.981 7.065 0.610 1.00 1.31 H new ATOM 0 HG2 GLU A 23 10.797 6.730 2.049 1.00 2.62 H new ATOM 0 HG3 GLU A 23 11.120 5.019 1.856 1.00 2.62 H new ATOM 339 N ASN A 24 12.353 8.010 -2.307 1.00 0.78 N ATOM 340 CA ASN A 24 12.999 8.304 -3.586 1.00 0.74 C ATOM 341 C ASN A 24 14.444 8.800 -3.365 1.00 0.78 C ATOM 342 O ASN A 24 14.639 9.923 -2.896 1.00 0.88 O ATOM 343 CB ASN A 24 12.162 9.366 -4.310 1.00 0.73 C ATOM 344 CG ASN A 24 12.618 9.595 -5.744 1.00 0.76 C ATOM 345 OD1 ASN A 24 13.639 9.085 -6.189 1.00 1.46 O ATOM 346 ND2 ASN A 24 11.869 10.356 -6.513 1.00 0.75 N ATOM 0 H ASN A 24 12.256 8.831 -1.710 1.00 0.78 H new ATOM 0 HA ASN A 24 13.056 7.400 -4.193 1.00 0.74 H new ATOM 0 HB2 ASN A 24 11.116 9.060 -4.310 1.00 0.73 H new ATOM 0 HB3 ASN A 24 12.220 10.305 -3.760 1.00 0.73 H new ATOM 0 HD21 ASN A 24 12.138 10.523 -7.483 1.00 0.75 H new ATOM 0 HD22 ASN A 24 11.019 10.779 -6.139 1.00 0.75 H new ATOM 353 N PRO A 25 15.469 7.997 -3.704 1.00 0.87 N ATOM 354 CA PRO A 25 16.869 8.411 -3.609 1.00 0.97 C ATOM 355 C PRO A 25 17.359 9.228 -4.816 1.00 0.96 C ATOM 356 O PRO A 25 18.454 9.792 -4.754 1.00 1.07 O ATOM 357 CB PRO A 25 17.639 7.089 -3.498 1.00 1.15 C ATOM 358 CG PRO A 25 16.790 6.129 -4.334 1.00 1.16 C ATOM 359 CD PRO A 25 15.369 6.582 -4.034 1.00 1.01 C ATOM 0 HA PRO A 25 17.018 9.080 -2.761 1.00 0.97 H new ATOM 0 HB2 PRO A 25 18.653 7.178 -3.889 1.00 1.15 H new ATOM 0 HB3 PRO A 25 17.725 6.757 -2.463 1.00 1.15 H new ATOM 0 HG2 PRO A 25 17.022 6.205 -5.396 1.00 1.16 H new ATOM 0 HG3 PRO A 25 16.952 5.090 -4.046 1.00 1.16 H new ATOM 0 HD2 PRO A 25 14.718 6.425 -4.894 1.00 1.01 H new ATOM 0 HD3 PRO A 25 14.944 6.016 -3.205 1.00 1.01 H new ATOM 367 N GLY A 26 16.590 9.301 -5.910 1.00 0.88 N ATOM 368 CA GLY A 26 16.982 9.952 -7.149 1.00 0.91 C ATOM 369 C GLY A 26 16.706 11.448 -7.154 1.00 0.84 C ATOM 370 O GLY A 26 16.149 12.025 -6.223 1.00 1.17 O ATOM 0 H GLY A 26 15.655 8.896 -5.950 1.00 0.88 H new ATOM 0 HA2 GLY A 26 18.046 9.785 -7.319 1.00 0.91 H new ATOM 0 HA3 GLY A 26 16.450 9.488 -7.980 1.00 0.91 H new ATOM 374 N ASP A 27 17.139 12.062 -8.244 1.00 0.90 N ATOM 375 CA ASP A 27 17.119 13.489 -8.547 1.00 1.34 C ATOM 376 C ASP A 27 15.933 13.854 -9.460 1.00 1.30 C ATOM 377 O ASP A 27 15.667 15.016 -9.751 1.00 1.58 O ATOM 378 CB ASP A 27 18.465 13.756 -9.227 1.00 1.77 C ATOM 379 CG ASP A 27 19.624 13.495 -8.260 1.00 2.18 C ATOM 380 OD1 ASP A 27 20.039 12.317 -8.138 1.00 2.61 O ATOM 381 OD2 ASP A 27 19.986 14.405 -7.487 1.00 3.00 O ATOM 0 H ASP A 27 17.551 11.528 -9.009 1.00 0.90 H new ATOM 0 HA ASP A 27 16.987 14.100 -7.654 1.00 1.34 H new ATOM 0 HB2 ASP A 27 18.567 13.118 -10.105 1.00 1.77 H new ATOM 0 HB3 ASP A 27 18.503 14.788 -9.577 1.00 1.77 H new ATOM 386 N LEU A 28 15.199 12.818 -9.870 1.00 1.00 N ATOM 387 CA LEU A 28 13.966 12.835 -10.640 1.00 0.92 C ATOM 388 C LEU A 28 12.849 12.113 -9.858 1.00 0.78 C ATOM 389 O LEU A 28 13.155 11.305 -8.975 1.00 0.77 O ATOM 390 CB LEU A 28 14.287 12.251 -12.030 1.00 1.02 C ATOM 391 CG LEU A 28 14.757 10.780 -12.095 1.00 1.79 C ATOM 392 CD1 LEU A 28 13.600 9.768 -12.057 1.00 2.67 C ATOM 393 CD2 LEU A 28 15.546 10.558 -13.394 1.00 2.48 C ATOM 0 H LEU A 28 15.483 11.863 -9.649 1.00 1.00 H new ATOM 0 HA LEU A 28 13.577 13.841 -10.798 1.00 0.92 H new ATOM 0 HB2 LEU A 28 13.395 12.347 -12.649 1.00 1.02 H new ATOM 0 HB3 LEU A 28 15.059 12.871 -12.485 1.00 1.02 H new ATOM 0 HG LEU A 28 15.373 10.611 -11.212 1.00 1.79 H new ATOM 0 HD11 LEU A 28 14.001 8.755 -12.106 1.00 2.67 H new ATOM 0 HD12 LEU A 28 13.039 9.892 -11.131 1.00 2.67 H new ATOM 0 HD13 LEU A 28 12.939 9.938 -12.907 1.00 2.67 H new ATOM 0 HD21 LEU A 28 15.880 9.522 -13.444 1.00 2.48 H new ATOM 0 HD22 LEU A 28 14.907 10.775 -14.250 1.00 2.48 H new ATOM 0 HD23 LEU A 28 16.412 11.219 -13.411 1.00 2.48 H new ATOM 405 N PRO A 29 11.562 12.391 -10.134 1.00 0.79 N ATOM 406 CA PRO A 29 10.456 11.855 -9.356 1.00 0.76 C ATOM 407 C PRO A 29 10.218 10.375 -9.680 1.00 0.73 C ATOM 408 O PRO A 29 10.378 9.937 -10.822 1.00 0.79 O ATOM 409 CB PRO A 29 9.246 12.732 -9.692 1.00 0.87 C ATOM 410 CG PRO A 29 9.539 13.202 -11.117 1.00 0.93 C ATOM 411 CD PRO A 29 11.069 13.261 -11.191 1.00 0.91 C ATOM 0 HA PRO A 29 10.661 11.882 -8.286 1.00 0.76 H new ATOM 0 HB2 PRO A 29 8.314 12.170 -9.637 1.00 0.87 H new ATOM 0 HB3 PRO A 29 9.153 13.571 -9.002 1.00 0.87 H new ATOM 0 HG2 PRO A 29 9.132 12.511 -11.855 1.00 0.93 H new ATOM 0 HG3 PRO A 29 9.094 14.177 -11.313 1.00 0.93 H new ATOM 0 HD2 PRO A 29 11.424 12.928 -12.166 1.00 0.91 H new ATOM 0 HD3 PRO A 29 11.426 14.282 -11.053 1.00 0.91 H new ATOM 419 N LEU A 30 9.807 9.615 -8.661 1.00 0.78 N ATOM 420 CA LEU A 30 9.310 8.249 -8.811 1.00 0.79 C ATOM 421 C LEU A 30 7.810 8.224 -8.636 1.00 0.87 C ATOM 422 O LEU A 30 7.204 9.070 -7.986 1.00 0.91 O ATOM 423 CB LEU A 30 9.950 7.245 -7.833 1.00 0.95 C ATOM 424 CG LEU A 30 11.450 7.089 -8.072 1.00 1.00 C ATOM 425 CD1 LEU A 30 12.103 6.367 -6.889 1.00 1.90 C ATOM 426 CD2 LEU A 30 11.812 6.374 -9.375 1.00 1.93 C ATOM 0 H LEU A 30 9.811 9.939 -7.694 1.00 0.78 H new ATOM 0 HA LEU A 30 9.590 7.935 -9.816 1.00 0.79 H new ATOM 0 HB2 LEU A 30 9.779 7.577 -6.809 1.00 0.95 H new ATOM 0 HB3 LEU A 30 9.463 6.275 -7.939 1.00 0.95 H new ATOM 0 HG LEU A 30 11.838 8.104 -8.165 1.00 1.00 H new ATOM 0 HD11 LEU A 30 13.172 6.262 -7.072 1.00 1.90 H new ATOM 0 HD12 LEU A 30 11.946 6.945 -5.978 1.00 1.90 H new ATOM 0 HD13 LEU A 30 11.656 5.379 -6.774 1.00 1.90 H new ATOM 0 HD21 LEU A 30 12.896 6.307 -9.464 1.00 1.93 H new ATOM 0 HD22 LEU A 30 11.385 5.371 -9.370 1.00 1.93 H new ATOM 0 HD23 LEU A 30 11.413 6.934 -10.220 1.00 1.93 H new ATOM 438 N ARG A 31 7.245 7.178 -9.212 1.00 0.93 N ATOM 439 CA ARG A 31 5.793 7.042 -9.351 1.00 0.90 C ATOM 440 C ARG A 31 5.333 5.603 -9.293 1.00 0.77 C ATOM 441 O ARG A 31 5.611 4.836 -10.208 1.00 0.72 O ATOM 442 CB ARG A 31 5.341 7.717 -10.653 1.00 0.88 C ATOM 443 CG ARG A 31 3.812 7.836 -10.753 1.00 0.92 C ATOM 444 CD ARG A 31 3.357 8.693 -11.940 1.00 0.89 C ATOM 445 NE ARG A 31 3.693 10.105 -11.715 1.00 1.41 N ATOM 446 CZ ARG A 31 3.368 11.154 -12.447 1.00 1.44 C ATOM 447 NH1 ARG A 31 2.626 11.043 -13.529 1.00 1.69 N ATOM 448 NH2 ARG A 31 3.816 12.334 -12.085 1.00 2.24 N ATOM 0 H ARG A 31 7.773 6.396 -9.599 1.00 0.93 H new ATOM 0 HA ARG A 31 5.327 7.540 -8.501 1.00 0.90 H new ATOM 0 HB2 ARG A 31 5.785 8.711 -10.717 1.00 0.88 H new ATOM 0 HB3 ARG A 31 5.714 7.146 -11.503 1.00 0.88 H new ATOM 0 HG2 ARG A 31 3.380 6.839 -10.844 1.00 0.92 H new ATOM 0 HG3 ARG A 31 3.425 8.268 -9.830 1.00 0.92 H new ATOM 0 HD2 ARG A 31 3.835 8.341 -12.854 1.00 0.89 H new ATOM 0 HD3 ARG A 31 2.281 8.587 -12.081 1.00 0.89 H new ATOM 0 HE ARG A 31 4.251 10.301 -10.884 1.00 1.41 H new ATOM 0 HH11 ARG A 31 2.285 10.127 -13.822 1.00 1.69 H new ATOM 0 HH12 ARG A 31 2.392 11.873 -14.074 1.00 1.69 H new ATOM 0 HH21 ARG A 31 4.401 12.425 -11.255 1.00 2.24 H new ATOM 0 HH22 ARG A 31 3.579 13.160 -12.634 1.00 2.24 H new ATOM 462 N LEU A 32 4.644 5.245 -8.222 1.00 0.74 N ATOM 463 CA LEU A 32 4.218 3.894 -7.878 1.00 0.66 C ATOM 464 C LEU A 32 2.821 3.637 -8.465 1.00 0.57 C ATOM 465 O LEU A 32 1.844 4.199 -7.983 1.00 0.61 O ATOM 466 CB LEU A 32 4.270 3.857 -6.344 1.00 0.68 C ATOM 467 CG LEU A 32 4.234 2.504 -5.610 1.00 0.83 C ATOM 468 CD1 LEU A 32 3.383 2.622 -4.339 1.00 1.74 C ATOM 469 CD2 LEU A 32 3.817 1.303 -6.454 1.00 1.87 C ATOM 0 H LEU A 32 4.348 5.930 -7.526 1.00 0.74 H new ATOM 0 HA LEU A 32 4.845 3.103 -8.288 1.00 0.66 H new ATOM 0 HB2 LEU A 32 5.182 4.369 -6.037 1.00 0.68 H new ATOM 0 HB3 LEU A 32 3.432 4.449 -5.976 1.00 0.68 H new ATOM 0 HG LEU A 32 5.270 2.287 -5.351 1.00 0.83 H new ATOM 0 HD11 LEU A 32 3.362 1.661 -3.825 1.00 1.74 H new ATOM 0 HD12 LEU A 32 3.814 3.376 -3.681 1.00 1.74 H new ATOM 0 HD13 LEU A 32 2.367 2.912 -4.607 1.00 1.74 H new ATOM 0 HD21 LEU A 32 3.826 0.404 -5.837 1.00 1.87 H new ATOM 0 HD22 LEU A 32 2.812 1.464 -6.845 1.00 1.87 H new ATOM 0 HD23 LEU A 32 4.514 1.181 -7.283 1.00 1.87 H new ATOM 481 N VAL A 33 2.726 2.819 -9.514 1.00 0.47 N ATOM 482 CA VAL A 33 1.504 2.657 -10.336 1.00 0.41 C ATOM 483 C VAL A 33 0.744 1.351 -10.032 1.00 0.36 C ATOM 484 O VAL A 33 -0.456 1.254 -10.276 1.00 0.42 O ATOM 485 CB VAL A 33 1.817 2.737 -11.855 1.00 0.48 C ATOM 486 CG1 VAL A 33 2.512 4.061 -12.227 1.00 0.67 C ATOM 487 CG2 VAL A 33 2.704 1.595 -12.389 1.00 0.43 C ATOM 0 H VAL A 33 3.502 2.237 -9.829 1.00 0.47 H new ATOM 0 HA VAL A 33 0.857 3.490 -10.062 1.00 0.41 H new ATOM 0 HB VAL A 33 0.834 2.657 -12.320 1.00 0.48 H new ATOM 0 HG11 VAL A 33 2.714 4.078 -13.298 1.00 0.67 H new ATOM 0 HG12 VAL A 33 1.864 4.898 -11.967 1.00 0.67 H new ATOM 0 HG13 VAL A 33 3.451 4.145 -11.680 1.00 0.67 H new ATOM 0 HG21 VAL A 33 2.870 1.733 -13.457 1.00 0.43 H new ATOM 0 HG22 VAL A 33 3.662 1.604 -11.869 1.00 0.43 H new ATOM 0 HG23 VAL A 33 2.208 0.639 -12.219 1.00 0.43 H new ATOM 497 N GLY A 34 1.446 0.336 -9.515 1.00 0.36 N ATOM 498 CA GLY A 34 0.886 -0.944 -9.070 1.00 0.40 C ATOM 499 C GLY A 34 1.809 -1.666 -8.099 1.00 0.45 C ATOM 500 O GLY A 34 2.887 -1.176 -7.774 1.00 0.49 O ATOM 0 H GLY A 34 2.457 0.386 -9.391 1.00 0.36 H new ATOM 0 HA2 GLY A 34 -0.078 -0.771 -8.592 1.00 0.40 H new ATOM 0 HA3 GLY A 34 0.703 -1.580 -9.936 1.00 0.40 H new ATOM 504 N ALA A 35 1.420 -2.861 -7.670 1.00 0.49 N ATOM 505 CA ALA A 35 2.290 -3.760 -6.925 1.00 0.51 C ATOM 506 C ALA A 35 2.196 -5.201 -7.447 1.00 0.52 C ATOM 507 O ALA A 35 1.438 -5.490 -8.374 1.00 0.56 O ATOM 508 CB ALA A 35 1.973 -3.629 -5.423 1.00 0.50 C ATOM 0 H ALA A 35 0.485 -3.235 -7.831 1.00 0.49 H new ATOM 0 HA ALA A 35 3.332 -3.476 -7.074 1.00 0.51 H new ATOM 0 HB1 ALA A 35 2.619 -4.298 -4.855 1.00 0.50 H new ATOM 0 HB2 ALA A 35 2.145 -2.601 -5.103 1.00 0.50 H new ATOM 0 HB3 ALA A 35 0.931 -3.895 -5.247 1.00 0.50 H new ATOM 514 N ARG A 36 2.942 -6.103 -6.808 1.00 0.54 N ATOM 515 CA ARG A 36 2.724 -7.557 -6.792 1.00 0.61 C ATOM 516 C ARG A 36 3.112 -8.088 -5.400 1.00 0.62 C ATOM 517 O ARG A 36 3.625 -7.326 -4.580 1.00 0.69 O ATOM 518 CB ARG A 36 3.554 -8.274 -7.874 1.00 0.82 C ATOM 519 CG ARG A 36 3.517 -7.673 -9.292 1.00 1.48 C ATOM 520 CD ARG A 36 4.477 -8.368 -10.269 1.00 2.20 C ATOM 521 NE ARG A 36 4.106 -9.775 -10.528 1.00 2.36 N ATOM 522 CZ ARG A 36 4.599 -10.846 -9.909 1.00 2.99 C ATOM 523 NH1 ARG A 36 5.541 -10.768 -8.986 1.00 3.64 N ATOM 524 NH2 ARG A 36 4.125 -12.036 -10.219 1.00 3.82 N ATOM 0 H ARG A 36 3.757 -5.829 -6.259 1.00 0.54 H new ATOM 0 HA ARG A 36 1.674 -7.757 -7.006 1.00 0.61 H new ATOM 0 HB2 ARG A 36 4.592 -8.300 -7.543 1.00 0.82 H new ATOM 0 HB3 ARG A 36 3.213 -9.307 -7.934 1.00 0.82 H new ATOM 0 HG2 ARG A 36 2.501 -7.740 -9.682 1.00 1.48 H new ATOM 0 HG3 ARG A 36 3.768 -6.614 -9.237 1.00 1.48 H new ATOM 0 HD2 ARG A 36 4.490 -7.820 -11.211 1.00 2.20 H new ATOM 0 HD3 ARG A 36 5.489 -8.332 -9.866 1.00 2.20 H new ATOM 0 HE ARG A 36 3.405 -9.942 -11.250 1.00 2.36 H new ATOM 0 HH11 ARG A 36 5.921 -9.859 -8.721 1.00 3.64 H new ATOM 0 HH12 ARG A 36 5.888 -11.616 -8.539 1.00 3.64 H new ATOM 0 HH21 ARG A 36 3.392 -12.126 -10.923 1.00 3.82 H new ATOM 0 HH22 ARG A 36 4.491 -12.867 -9.755 1.00 3.82 H new ATOM 538 N THR A 37 2.938 -9.388 -5.134 1.00 0.59 N ATOM 539 CA THR A 37 3.276 -10.072 -3.868 1.00 0.56 C ATOM 540 C THR A 37 3.086 -11.583 -4.036 1.00 0.57 C ATOM 541 O THR A 37 2.246 -11.963 -4.850 1.00 0.61 O ATOM 542 CB THR A 37 2.434 -9.517 -2.706 1.00 0.64 C ATOM 543 OG1 THR A 37 2.660 -10.268 -1.550 1.00 0.69 O ATOM 544 CG2 THR A 37 0.922 -9.529 -2.954 1.00 0.72 C ATOM 0 H THR A 37 2.540 -10.026 -5.823 1.00 0.59 H new ATOM 0 HA THR A 37 4.321 -9.883 -3.623 1.00 0.56 H new ATOM 0 HB THR A 37 2.752 -8.479 -2.603 1.00 0.64 H new ATOM 0 HG1 THR A 37 3.484 -9.962 -1.117 1.00 0.69 H new ATOM 0 HG21 THR A 37 0.407 -9.121 -2.084 1.00 0.72 H new ATOM 0 HG22 THR A 37 0.692 -8.922 -3.830 1.00 0.72 H new ATOM 0 HG23 THR A 37 0.589 -10.553 -3.125 1.00 0.72 H new ATOM 552 N PRO A 38 3.806 -12.455 -3.301 1.00 0.61 N ATOM 553 CA PRO A 38 3.599 -13.898 -3.385 1.00 0.67 C ATOM 554 C PRO A 38 2.378 -14.402 -2.612 1.00 0.68 C ATOM 555 O PRO A 38 2.042 -15.576 -2.730 1.00 0.81 O ATOM 556 CB PRO A 38 4.900 -14.498 -2.864 1.00 0.71 C ATOM 557 CG PRO A 38 5.437 -13.476 -1.869 1.00 0.71 C ATOM 558 CD PRO A 38 4.940 -12.149 -2.432 1.00 0.66 C ATOM 0 HA PRO A 38 3.376 -14.198 -4.409 1.00 0.67 H new ATOM 0 HB2 PRO A 38 4.726 -15.461 -2.385 1.00 0.71 H new ATOM 0 HB3 PRO A 38 5.608 -14.669 -3.675 1.00 0.71 H new ATOM 0 HG2 PRO A 38 5.057 -13.655 -0.863 1.00 0.71 H new ATOM 0 HG3 PRO A 38 6.525 -13.506 -1.808 1.00 0.71 H new ATOM 0 HD2 PRO A 38 4.640 -11.477 -1.628 1.00 0.66 H new ATOM 0 HD3 PRO A 38 5.730 -11.646 -2.990 1.00 0.66 H new ATOM 566 N VAL A 39 1.718 -13.544 -1.826 1.00 0.66 N ATOM 567 CA VAL A 39 0.598 -13.921 -0.944 1.00 0.66 C ATOM 568 C VAL A 39 -0.779 -13.334 -1.313 1.00 0.63 C ATOM 569 O VAL A 39 -1.653 -13.268 -0.456 1.00 0.65 O ATOM 570 CB VAL A 39 0.948 -13.635 0.531 1.00 0.70 C ATOM 571 CG1 VAL A 39 2.214 -14.378 0.992 1.00 0.78 C ATOM 572 CG2 VAL A 39 1.093 -12.134 0.788 1.00 0.70 C ATOM 0 H VAL A 39 1.948 -12.551 -1.781 1.00 0.66 H new ATOM 0 HA VAL A 39 0.476 -14.993 -1.099 1.00 0.66 H new ATOM 0 HB VAL A 39 0.113 -14.013 1.121 1.00 0.70 H new ATOM 0 HG11 VAL A 39 2.415 -14.141 2.037 1.00 0.78 H new ATOM 0 HG12 VAL A 39 2.064 -15.452 0.886 1.00 0.78 H new ATOM 0 HG13 VAL A 39 3.061 -14.067 0.381 1.00 0.78 H new ATOM 0 HG21 VAL A 39 1.340 -11.967 1.836 1.00 0.70 H new ATOM 0 HG22 VAL A 39 1.888 -11.732 0.160 1.00 0.70 H new ATOM 0 HG23 VAL A 39 0.155 -11.632 0.551 1.00 0.70 H new ATOM 582 N ALA A 40 -1.005 -12.971 -2.581 1.00 0.66 N ATOM 583 CA ALA A 40 -2.317 -12.592 -3.149 1.00 0.67 C ATOM 584 C ALA A 40 -2.342 -12.812 -4.681 1.00 0.74 C ATOM 585 O ALA A 40 -1.338 -12.570 -5.345 1.00 0.88 O ATOM 586 CB ALA A 40 -2.586 -11.124 -2.797 1.00 0.69 C ATOM 0 H ALA A 40 -0.255 -12.930 -3.271 1.00 0.66 H new ATOM 0 HA ALA A 40 -3.100 -13.221 -2.726 1.00 0.67 H new ATOM 0 HB1 ALA A 40 -3.550 -10.822 -3.207 1.00 0.69 H new ATOM 0 HB2 ALA A 40 -2.599 -11.006 -1.713 1.00 0.69 H new ATOM 0 HB3 ALA A 40 -1.800 -10.498 -3.220 1.00 0.69 H new ATOM 592 N GLU A 41 -3.475 -13.251 -5.240 1.00 0.89 N ATOM 593 CA GLU A 41 -3.696 -13.464 -6.684 1.00 0.96 C ATOM 594 C GLU A 41 -3.732 -12.149 -7.484 1.00 0.93 C ATOM 595 O GLU A 41 -3.345 -12.083 -8.653 1.00 1.29 O ATOM 596 CB GLU A 41 -5.060 -14.166 -6.853 1.00 1.01 C ATOM 597 CG GLU A 41 -5.198 -14.957 -8.158 1.00 1.17 C ATOM 598 CD GLU A 41 -4.481 -16.290 -8.005 1.00 1.85 C ATOM 599 OE1 GLU A 41 -5.089 -17.225 -7.437 1.00 3.12 O ATOM 600 OE2 GLU A 41 -3.253 -16.351 -8.233 1.00 2.51 O ATOM 0 H GLU A 41 -4.298 -13.478 -4.682 1.00 0.89 H new ATOM 0 HA GLU A 41 -2.867 -14.059 -7.066 1.00 0.96 H new ATOM 0 HB2 GLU A 41 -5.215 -14.842 -6.012 1.00 1.01 H new ATOM 0 HB3 GLU A 41 -5.850 -13.417 -6.809 1.00 1.01 H new ATOM 0 HG2 GLU A 41 -6.250 -15.120 -8.391 1.00 1.17 H new ATOM 0 HG3 GLU A 41 -4.772 -14.393 -8.988 1.00 1.17 H new ATOM 607 N ARG A 42 -4.243 -11.092 -6.846 1.00 0.72 N ATOM 608 CA ARG A 42 -4.382 -9.743 -7.364 1.00 0.75 C ATOM 609 C ARG A 42 -3.985 -8.752 -6.272 1.00 0.70 C ATOM 610 O ARG A 42 -4.032 -9.033 -5.074 1.00 1.03 O ATOM 611 CB ARG A 42 -5.843 -9.494 -7.777 1.00 0.86 C ATOM 612 CG ARG A 42 -6.259 -10.242 -9.052 1.00 1.29 C ATOM 613 CD ARG A 42 -7.709 -9.886 -9.396 1.00 1.56 C ATOM 614 NE ARG A 42 -8.119 -10.455 -10.695 1.00 2.52 N ATOM 615 CZ ARG A 42 -9.176 -10.079 -11.410 1.00 3.36 C ATOM 616 NH1 ARG A 42 -10.014 -9.156 -10.978 1.00 3.81 N ATOM 617 NH2 ARG A 42 -9.408 -10.627 -12.588 1.00 4.47 N ATOM 0 H ARG A 42 -4.592 -11.170 -5.891 1.00 0.72 H new ATOM 0 HA ARG A 42 -3.739 -9.615 -8.234 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -6.499 -9.794 -6.960 1.00 0.86 H new ATOM 0 HB3 ARG A 42 -5.992 -8.425 -7.929 1.00 0.86 H new ATOM 0 HG2 ARG A 42 -5.600 -9.972 -9.877 1.00 1.29 H new ATOM 0 HG3 ARG A 42 -6.161 -11.318 -8.905 1.00 1.29 H new ATOM 0 HD2 ARG A 42 -8.370 -10.256 -8.612 1.00 1.56 H new ATOM 0 HD3 ARG A 42 -7.821 -8.802 -9.422 1.00 1.56 H new ATOM 0 HE ARG A 42 -7.541 -11.203 -11.078 1.00 2.52 H new ATOM 0 HH11 ARG A 42 -9.860 -8.710 -10.074 1.00 3.81 H new ATOM 0 HH12 ARG A 42 -10.816 -8.888 -11.548 1.00 3.81 H new ATOM 0 HH21 ARG A 42 -8.776 -11.340 -12.952 1.00 4.47 H new ATOM 0 HH22 ARG A 42 -10.219 -10.337 -13.134 1.00 4.47 H new ATOM 631 N VAL A 43 -3.665 -7.546 -6.715 1.00 0.52 N ATOM 632 CA VAL A 43 -3.515 -6.356 -5.877 1.00 0.50 C ATOM 633 C VAL A 43 -4.130 -5.162 -6.617 1.00 0.65 C ATOM 634 O VAL A 43 -4.043 -5.090 -7.845 1.00 0.93 O ATOM 635 CB VAL A 43 -2.038 -6.132 -5.476 1.00 0.54 C ATOM 636 CG1 VAL A 43 -1.139 -5.711 -6.645 1.00 0.70 C ATOM 637 CG2 VAL A 43 -1.885 -5.123 -4.332 1.00 0.73 C ATOM 0 H VAL A 43 -3.496 -7.357 -7.703 1.00 0.52 H new ATOM 0 HA VAL A 43 -4.049 -6.486 -4.936 1.00 0.50 H new ATOM 0 HB VAL A 43 -1.704 -7.111 -5.134 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -0.119 -5.572 -6.288 1.00 0.70 H new ATOM 0 HG12 VAL A 43 -1.153 -6.485 -7.412 1.00 0.70 H new ATOM 0 HG13 VAL A 43 -1.506 -4.775 -7.067 1.00 0.70 H new ATOM 0 HG21 VAL A 43 -0.829 -5.004 -4.091 1.00 0.73 H new ATOM 0 HG22 VAL A 43 -2.298 -4.162 -4.637 1.00 0.73 H new ATOM 0 HG23 VAL A 43 -2.419 -5.485 -3.454 1.00 0.73 H new ATOM 647 N GLU A 44 -4.763 -4.261 -5.873 1.00 0.56 N ATOM 648 CA GLU A 44 -5.326 -2.987 -6.331 1.00 0.49 C ATOM 649 C GLU A 44 -4.709 -1.848 -5.519 1.00 0.42 C ATOM 650 O GLU A 44 -4.383 -2.035 -4.347 1.00 0.53 O ATOM 651 CB GLU A 44 -6.846 -2.968 -6.106 1.00 0.65 C ATOM 652 CG GLU A 44 -7.615 -3.922 -7.028 1.00 1.21 C ATOM 653 CD GLU A 44 -9.077 -4.096 -6.602 1.00 1.86 C ATOM 654 OE1 GLU A 44 -9.572 -3.252 -5.816 1.00 2.59 O ATOM 655 OE2 GLU A 44 -9.675 -5.097 -7.043 1.00 2.67 O ATOM 0 H GLU A 44 -4.908 -4.405 -4.874 1.00 0.56 H new ATOM 0 HA GLU A 44 -5.110 -2.867 -7.393 1.00 0.49 H new ATOM 0 HB2 GLU A 44 -7.055 -3.231 -5.069 1.00 0.65 H new ATOM 0 HB3 GLU A 44 -7.215 -1.954 -6.258 1.00 0.65 H new ATOM 0 HG2 GLU A 44 -7.580 -3.543 -8.049 1.00 1.21 H new ATOM 0 HG3 GLU A 44 -7.123 -4.894 -7.032 1.00 1.21 H new ATOM 662 N LEU A 45 -4.576 -0.659 -6.109 1.00 0.47 N ATOM 663 CA LEU A 45 -4.076 0.537 -5.421 1.00 0.48 C ATOM 664 C LEU A 45 -5.237 1.466 -5.054 1.00 0.42 C ATOM 665 O LEU A 45 -5.978 1.921 -5.928 1.00 0.44 O ATOM 666 CB LEU A 45 -3.038 1.222 -6.324 1.00 0.69 C ATOM 667 CG LEU A 45 -2.478 2.536 -5.749 1.00 0.51 C ATOM 668 CD1 LEU A 45 -1.707 2.369 -4.432 1.00 0.66 C ATOM 669 CD2 LEU A 45 -1.557 3.170 -6.793 1.00 0.88 C ATOM 0 H LEU A 45 -4.814 -0.495 -7.087 1.00 0.47 H new ATOM 0 HA LEU A 45 -3.590 0.265 -4.484 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -2.212 0.533 -6.499 1.00 0.69 H new ATOM 0 HB3 LEU A 45 -3.493 1.426 -7.293 1.00 0.69 H new ATOM 0 HG LEU A 45 -3.335 3.170 -5.520 1.00 0.51 H new ATOM 0 HD11 LEU A 45 -1.347 3.341 -4.096 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.367 1.945 -3.675 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -0.859 1.702 -4.589 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -1.151 4.103 -6.402 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -0.740 2.486 -7.020 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -2.123 3.374 -7.702 1.00 0.88 H new ATOM 681 N HIS A 46 -5.387 1.764 -3.761 1.00 0.42 N ATOM 682 CA HIS A 46 -6.506 2.515 -3.190 1.00 0.41 C ATOM 683 C HIS A 46 -6.077 3.749 -2.368 1.00 0.41 C ATOM 684 O HIS A 46 -4.984 3.846 -1.800 1.00 0.49 O ATOM 685 CB HIS A 46 -7.335 1.588 -2.261 1.00 0.41 C ATOM 686 CG HIS A 46 -8.105 0.420 -2.829 1.00 0.40 C ATOM 687 ND1 HIS A 46 -8.800 -0.506 -2.054 1.00 0.42 N ATOM 688 CD2 HIS A 46 -8.254 0.055 -4.137 1.00 0.41 C ATOM 689 CE1 HIS A 46 -9.333 -1.399 -2.890 1.00 0.44 C ATOM 690 NE2 HIS A 46 -9.029 -1.090 -4.157 1.00 0.44 N ATOM 0 H HIS A 46 -4.706 1.478 -3.057 1.00 0.42 H new ATOM 0 HA HIS A 46 -7.089 2.871 -4.039 1.00 0.41 H new ATOM 0 HB2 HIS A 46 -6.651 1.188 -1.513 1.00 0.41 H new ATOM 0 HB3 HIS A 46 -8.051 2.219 -1.734 1.00 0.41 H new ATOM 0 HD2 HIS A 46 -7.843 0.566 -4.995 1.00 0.41 H new ATOM 0 HE1 HIS A 46 -9.925 -2.250 -2.588 1.00 0.44 H new ATOM 0 HE2 HIS A 46 -9.317 -1.607 -4.988 1.00 0.44 H new ATOM 698 N GLU A 47 -7.046 4.647 -2.220 1.00 0.37 N ATOM 699 CA GLU A 47 -7.161 5.681 -1.193 1.00 0.38 C ATOM 700 C GLU A 47 -8.212 5.296 -0.140 1.00 0.45 C ATOM 701 O GLU A 47 -9.117 4.502 -0.412 1.00 0.61 O ATOM 702 CB GLU A 47 -7.516 7.012 -1.875 1.00 0.40 C ATOM 703 CG GLU A 47 -8.932 7.027 -2.466 1.00 0.53 C ATOM 704 CD GLU A 47 -9.352 8.364 -3.062 1.00 1.00 C ATOM 705 OE1 GLU A 47 -8.563 9.012 -3.774 1.00 2.13 O ATOM 706 OE2 GLU A 47 -10.552 8.703 -2.940 1.00 1.79 O ATOM 0 H GLU A 47 -7.835 4.674 -2.866 1.00 0.37 H new ATOM 0 HA GLU A 47 -6.211 5.785 -0.669 1.00 0.38 H new ATOM 0 HB2 GLU A 47 -7.423 7.821 -1.150 1.00 0.40 H new ATOM 0 HB3 GLU A 47 -6.795 7.210 -2.669 1.00 0.40 H new ATOM 0 HG2 GLU A 47 -8.998 6.262 -3.239 1.00 0.53 H new ATOM 0 HG3 GLU A 47 -9.641 6.753 -1.685 1.00 0.53 H new ATOM 713 N THR A 48 -8.108 5.921 1.034 1.00 0.52 N ATOM 714 CA THR A 48 -9.133 5.978 2.086 1.00 0.50 C ATOM 715 C THR A 48 -9.296 7.454 2.431 1.00 0.49 C ATOM 716 O THR A 48 -8.316 8.196 2.339 1.00 0.62 O ATOM 717 CB THR A 48 -8.681 5.230 3.342 1.00 0.57 C ATOM 718 OG1 THR A 48 -8.215 3.954 2.997 1.00 0.71 O ATOM 719 CG2 THR A 48 -9.784 5.050 4.386 1.00 0.73 C ATOM 0 H THR A 48 -7.263 6.429 1.294 1.00 0.52 H new ATOM 0 HA THR A 48 -10.058 5.518 1.740 1.00 0.50 H new ATOM 0 HB THR A 48 -7.898 5.847 3.782 1.00 0.57 H new ATOM 0 HG1 THR A 48 -7.243 3.982 2.876 1.00 0.71 H new ATOM 0 HG21 THR A 48 -9.386 4.511 5.246 1.00 0.73 H new ATOM 0 HG22 THR A 48 -10.146 6.027 4.705 1.00 0.73 H new ATOM 0 HG23 THR A 48 -10.607 4.483 3.952 1.00 0.73 H new ATOM 727 N PHE A 49 -10.494 7.882 2.823 1.00 0.49 N ATOM 728 CA PHE A 49 -10.827 9.292 3.050 1.00 0.57 C ATOM 729 C PHE A 49 -12.067 9.477 3.940 1.00 0.51 C ATOM 730 O PHE A 49 -12.733 8.521 4.339 1.00 0.53 O ATOM 731 CB PHE A 49 -10.988 10.012 1.697 1.00 0.74 C ATOM 732 CG PHE A 49 -12.098 9.462 0.821 1.00 0.80 C ATOM 733 CD1 PHE A 49 -11.864 8.348 -0.008 1.00 2.12 C ATOM 734 CD2 PHE A 49 -13.373 10.060 0.832 1.00 1.71 C ATOM 735 CE1 PHE A 49 -12.902 7.819 -0.788 1.00 2.23 C ATOM 736 CE2 PHE A 49 -14.403 9.546 0.028 1.00 1.78 C ATOM 737 CZ PHE A 49 -14.172 8.416 -0.779 1.00 1.17 C ATOM 0 H PHE A 49 -11.276 7.250 2.996 1.00 0.49 H new ATOM 0 HA PHE A 49 -10.001 9.744 3.598 1.00 0.57 H new ATOM 0 HB2 PHE A 49 -11.178 11.069 1.882 1.00 0.74 H new ATOM 0 HB3 PHE A 49 -10.046 9.949 1.152 1.00 0.74 H new ATOM 0 HD1 PHE A 49 -10.882 7.900 -0.043 1.00 2.12 H new ATOM 0 HD2 PHE A 49 -13.559 10.918 1.462 1.00 1.71 H new ATOM 0 HE1 PHE A 49 -12.723 6.947 -1.399 1.00 2.23 H new ATOM 0 HE2 PHE A 49 -15.374 10.018 0.029 1.00 1.78 H new ATOM 0 HZ PHE A 49 -14.967 8.011 -1.387 1.00 1.17 H new ATOM 747 N MET A 50 -12.385 10.733 4.263 1.00 0.58 N ATOM 748 CA MET A 50 -13.513 11.130 5.102 1.00 0.63 C ATOM 749 C MET A 50 -14.582 11.870 4.285 1.00 0.57 C ATOM 750 O MET A 50 -14.267 12.750 3.488 1.00 0.60 O ATOM 751 CB MET A 50 -12.979 11.993 6.254 1.00 0.79 C ATOM 752 CG MET A 50 -14.131 12.467 7.139 1.00 1.95 C ATOM 753 SD MET A 50 -13.659 13.176 8.737 1.00 2.45 S ATOM 754 CE MET A 50 -13.034 14.788 8.193 1.00 3.30 C ATOM 0 H MET A 50 -11.841 11.530 3.933 1.00 0.58 H new ATOM 0 HA MET A 50 -13.999 10.244 5.510 1.00 0.63 H new ATOM 0 HB2 MET A 50 -12.267 11.419 6.848 1.00 0.79 H new ATOM 0 HB3 MET A 50 -12.441 12.853 5.854 1.00 0.79 H new ATOM 0 HG2 MET A 50 -14.705 13.212 6.588 1.00 1.95 H new ATOM 0 HG3 MET A 50 -14.796 11.623 7.320 1.00 1.95 H new ATOM 0 HE1 MET A 50 -12.699 15.359 9.059 1.00 3.30 H new ATOM 0 HE2 MET A 50 -12.198 14.642 7.509 1.00 3.30 H new ATOM 0 HE3 MET A 50 -13.829 15.333 7.684 1.00 3.30 H new ATOM 764 N ARG A 51 -15.851 11.527 4.521 1.00 0.66 N ATOM 765 CA ARG A 51 -17.046 12.202 4.000 1.00 0.63 C ATOM 766 C ARG A 51 -17.924 12.709 5.150 1.00 0.74 C ATOM 767 O ARG A 51 -17.907 12.170 6.263 1.00 0.85 O ATOM 768 CB ARG A 51 -17.911 11.253 3.148 1.00 0.81 C ATOM 769 CG ARG A 51 -17.130 10.446 2.106 1.00 1.48 C ATOM 770 CD ARG A 51 -18.059 9.637 1.185 1.00 2.16 C ATOM 771 NE ARG A 51 -18.432 10.387 -0.033 1.00 2.86 N ATOM 772 CZ ARG A 51 -19.519 11.125 -0.244 1.00 3.50 C ATOM 773 NH1 ARG A 51 -20.443 11.314 0.680 1.00 3.58 N ATOM 774 NH2 ARG A 51 -19.685 11.703 -1.418 1.00 4.75 N ATOM 0 H ARG A 51 -16.087 10.729 5.111 1.00 0.66 H new ATOM 0 HA ARG A 51 -16.690 13.030 3.386 1.00 0.63 H new ATOM 0 HB2 ARG A 51 -18.430 10.561 3.811 1.00 0.81 H new ATOM 0 HB3 ARG A 51 -18.675 11.839 2.637 1.00 0.81 H new ATOM 0 HG2 ARG A 51 -16.523 11.123 1.504 1.00 1.48 H new ATOM 0 HG3 ARG A 51 -16.443 9.768 2.613 1.00 1.48 H new ATOM 0 HD2 ARG A 51 -17.566 8.708 0.900 1.00 2.16 H new ATOM 0 HD3 ARG A 51 -18.962 9.364 1.732 1.00 2.16 H new ATOM 0 HE ARG A 51 -17.773 10.332 -0.810 1.00 2.86 H new ATOM 0 HH11 ARG A 51 -20.339 10.886 1.600 1.00 3.58 H new ATOM 0 HH12 ARG A 51 -21.261 11.888 0.474 1.00 3.58 H new ATOM 0 HH21 ARG A 51 -18.985 11.581 -2.150 1.00 4.75 H new ATOM 0 HH22 ARG A 51 -20.513 12.272 -1.594 1.00 4.75 H new ATOM 788 N GLU A 52 -18.790 13.668 4.851 1.00 0.82 N ATOM 789 CA GLU A 52 -20.033 13.862 5.552 1.00 0.91 C ATOM 790 C GLU A 52 -21.143 13.055 4.861 1.00 1.13 C ATOM 791 O GLU A 52 -21.131 12.923 3.632 1.00 1.35 O ATOM 792 CB GLU A 52 -20.330 15.356 5.446 1.00 1.13 C ATOM 793 CG GLU A 52 -21.423 15.791 6.396 1.00 1.24 C ATOM 794 CD GLU A 52 -20.877 15.957 7.804 1.00 1.46 C ATOM 795 OE1 GLU A 52 -20.597 14.936 8.465 1.00 2.17 O ATOM 796 OE2 GLU A 52 -20.732 17.096 8.281 1.00 2.27 O ATOM 0 H GLU A 52 -18.637 14.340 4.099 1.00 0.82 H new ATOM 0 HA GLU A 52 -19.977 13.533 6.590 1.00 0.91 H new ATOM 0 HB2 GLU A 52 -19.422 15.921 5.657 1.00 1.13 H new ATOM 0 HB3 GLU A 52 -20.624 15.595 4.424 1.00 1.13 H new ATOM 0 HG2 GLU A 52 -21.855 16.732 6.055 1.00 1.24 H new ATOM 0 HG3 GLU A 52 -22.226 15.054 6.397 1.00 1.24 H new ATOM 803 N VAL A 53 -22.115 12.574 5.638 1.00 1.22 N ATOM 804 CA VAL A 53 -23.467 12.203 5.188 1.00 1.49 C ATOM 805 C VAL A 53 -24.447 12.701 6.260 1.00 1.58 C ATOM 806 O VAL A 53 -24.304 12.307 7.407 1.00 2.04 O ATOM 807 CB VAL A 53 -23.595 10.664 4.999 1.00 1.73 C ATOM 808 CG1 VAL A 53 -25.016 10.277 4.559 1.00 2.28 C ATOM 809 CG2 VAL A 53 -22.600 10.116 3.957 1.00 2.23 C ATOM 0 H VAL A 53 -21.981 12.425 6.638 1.00 1.22 H new ATOM 0 HA VAL A 53 -23.684 12.656 4.220 1.00 1.49 H new ATOM 0 HB VAL A 53 -23.368 10.223 5.970 1.00 1.73 H new ATOM 0 HG11 VAL A 53 -25.077 9.196 4.434 1.00 2.28 H new ATOM 0 HG12 VAL A 53 -25.731 10.596 5.317 1.00 2.28 H new ATOM 0 HG13 VAL A 53 -25.249 10.765 3.613 1.00 2.28 H new ATOM 0 HG21 VAL A 53 -22.730 9.038 3.862 1.00 2.23 H new ATOM 0 HG22 VAL A 53 -22.785 10.590 2.993 1.00 2.23 H new ATOM 0 HG23 VAL A 53 -21.581 10.332 4.278 1.00 2.23 H new ATOM 819 N GLU A 54 -25.384 13.607 5.937 1.00 1.60 N ATOM 820 CA GLU A 54 -26.408 14.146 6.869 1.00 1.77 C ATOM 821 C GLU A 54 -25.834 14.905 8.099 1.00 1.71 C ATOM 822 O GLU A 54 -26.455 14.929 9.161 1.00 1.85 O ATOM 823 CB GLU A 54 -27.355 13.032 7.362 1.00 1.90 C ATOM 824 CG GLU A 54 -28.142 12.247 6.308 1.00 2.15 C ATOM 825 CD GLU A 54 -28.680 11.011 7.020 1.00 2.64 C ATOM 826 OE1 GLU A 54 -29.688 11.137 7.750 1.00 3.27 O ATOM 827 OE2 GLU A 54 -27.951 9.999 7.082 1.00 3.33 O ATOM 0 H GLU A 54 -25.459 14.000 4.999 1.00 1.60 H new ATOM 0 HA GLU A 54 -26.954 14.879 6.275 1.00 1.77 H new ATOM 0 HB2 GLU A 54 -26.764 12.320 7.938 1.00 1.90 H new ATOM 0 HB3 GLU A 54 -28.072 13.481 8.050 1.00 1.90 H new ATOM 0 HG2 GLU A 54 -28.955 12.848 5.901 1.00 2.15 H new ATOM 0 HG3 GLU A 54 -27.502 11.968 5.471 1.00 2.15 H new ATOM 834 N GLY A 55 -24.624 15.476 8.016 1.00 1.63 N ATOM 835 CA GLY A 55 -23.921 16.056 9.183 1.00 1.70 C ATOM 836 C GLY A 55 -23.169 15.021 10.038 1.00 1.54 C ATOM 837 O GLY A 55 -22.592 15.353 11.078 1.00 1.79 O ATOM 0 H GLY A 55 -24.101 15.552 7.143 1.00 1.63 H new ATOM 0 HA2 GLY A 55 -23.212 16.806 8.831 1.00 1.70 H new ATOM 0 HA3 GLY A 55 -24.646 16.573 9.811 1.00 1.70 H new ATOM 841 N LYS A 56 -23.151 13.763 9.592 1.00 1.27 N ATOM 842 CA LYS A 56 -22.559 12.600 10.238 1.00 1.19 C ATOM 843 C LYS A 56 -21.268 12.251 9.488 1.00 1.06 C ATOM 844 O LYS A 56 -21.254 11.957 8.287 1.00 1.02 O ATOM 845 CB LYS A 56 -23.530 11.394 10.253 1.00 1.23 C ATOM 846 CG LYS A 56 -24.992 11.722 10.626 1.00 1.39 C ATOM 847 CD LYS A 56 -25.935 10.566 10.261 1.00 1.94 C ATOM 848 CE LYS A 56 -27.395 11.011 10.416 1.00 1.92 C ATOM 849 NZ LYS A 56 -28.327 10.050 9.780 1.00 2.51 N ATOM 0 H LYS A 56 -23.584 13.517 8.702 1.00 1.27 H new ATOM 0 HA LYS A 56 -22.343 12.835 11.280 1.00 1.19 H new ATOM 0 HB2 LYS A 56 -23.520 10.930 9.267 1.00 1.23 H new ATOM 0 HB3 LYS A 56 -23.151 10.654 10.957 1.00 1.23 H new ATOM 0 HG2 LYS A 56 -25.060 11.926 11.695 1.00 1.39 H new ATOM 0 HG3 LYS A 56 -25.307 12.628 10.108 1.00 1.39 H new ATOM 0 HD2 LYS A 56 -25.751 10.245 9.236 1.00 1.94 H new ATOM 0 HD3 LYS A 56 -25.738 9.708 10.904 1.00 1.94 H new ATOM 0 HE2 LYS A 56 -27.637 11.107 11.475 1.00 1.92 H new ATOM 0 HE3 LYS A 56 -27.525 11.996 9.968 1.00 1.92 H new ATOM 0 HZ1 LYS A 56 -29.187 10.550 9.476 1.00 2.51 H new ATOM 0 HZ2 LYS A 56 -27.868 9.616 8.954 1.00 2.51 H new ATOM 0 HZ3 LYS A 56 -28.581 9.309 10.464 1.00 2.51 H new ATOM 863 N LYS A 57 -20.168 12.287 10.225 1.00 1.16 N ATOM 864 CA LYS A 57 -18.810 12.018 9.747 1.00 1.13 C ATOM 865 C LYS A 57 -18.648 10.511 9.455 1.00 1.03 C ATOM 866 O LYS A 57 -18.705 9.700 10.374 1.00 1.25 O ATOM 867 CB LYS A 57 -17.784 12.510 10.797 1.00 1.49 C ATOM 868 CG LYS A 57 -18.012 13.929 11.354 1.00 1.67 C ATOM 869 CD LYS A 57 -17.812 15.044 10.318 1.00 2.21 C ATOM 870 CE LYS A 57 -18.394 16.384 10.800 1.00 2.55 C ATOM 871 NZ LYS A 57 -19.876 16.408 10.724 1.00 2.64 N ATOM 0 H LYS A 57 -20.193 12.515 11.219 1.00 1.16 H new ATOM 0 HA LYS A 57 -18.628 12.559 8.818 1.00 1.13 H new ATOM 0 HB2 LYS A 57 -17.785 11.809 11.632 1.00 1.49 H new ATOM 0 HB3 LYS A 57 -16.791 12.472 10.350 1.00 1.49 H new ATOM 0 HG2 LYS A 57 -19.025 13.994 11.752 1.00 1.67 H new ATOM 0 HG3 LYS A 57 -17.330 14.095 12.188 1.00 1.67 H new ATOM 0 HD2 LYS A 57 -16.748 15.163 10.113 1.00 2.21 H new ATOM 0 HD3 LYS A 57 -18.287 14.758 9.380 1.00 2.21 H new ATOM 0 HE2 LYS A 57 -18.081 16.566 11.828 1.00 2.55 H new ATOM 0 HE3 LYS A 57 -17.987 17.194 10.195 1.00 2.55 H new ATOM 0 HZ1 LYS A 57 -20.174 17.057 9.968 1.00 2.64 H new ATOM 0 HZ2 LYS A 57 -20.229 15.451 10.519 1.00 2.64 H new ATOM 0 HZ3 LYS A 57 -20.265 16.733 11.632 1.00 2.64 H new ATOM 885 N VAL A 58 -18.457 10.143 8.190 1.00 0.86 N ATOM 886 CA VAL A 58 -18.443 8.749 7.696 1.00 0.98 C ATOM 887 C VAL A 58 -17.344 8.591 6.641 1.00 0.99 C ATOM 888 O VAL A 58 -17.212 9.435 5.764 1.00 1.25 O ATOM 889 CB VAL A 58 -19.823 8.361 7.101 1.00 1.07 C ATOM 890 CG1 VAL A 58 -19.817 6.973 6.436 1.00 1.91 C ATOM 891 CG2 VAL A 58 -20.931 8.363 8.172 1.00 2.15 C ATOM 0 H VAL A 58 -18.301 10.824 7.447 1.00 0.86 H new ATOM 0 HA VAL A 58 -18.238 8.081 8.533 1.00 0.98 H new ATOM 0 HB VAL A 58 -20.026 9.121 6.346 1.00 1.07 H new ATOM 0 HG11 VAL A 58 -20.808 6.756 6.038 1.00 1.91 H new ATOM 0 HG12 VAL A 58 -19.090 6.962 5.624 1.00 1.91 H new ATOM 0 HG13 VAL A 58 -19.549 6.217 7.174 1.00 1.91 H new ATOM 0 HG21 VAL A 58 -21.880 8.086 7.714 1.00 2.15 H new ATOM 0 HG22 VAL A 58 -20.683 7.645 8.954 1.00 2.15 H new ATOM 0 HG23 VAL A 58 -21.015 9.359 8.607 1.00 2.15 H new ATOM 901 N MET A 59 -16.532 7.535 6.720 1.00 0.84 N ATOM 902 CA MET A 59 -15.395 7.316 5.805 1.00 0.75 C ATOM 903 C MET A 59 -15.787 6.741 4.432 1.00 0.77 C ATOM 904 O MET A 59 -16.936 6.379 4.189 1.00 0.97 O ATOM 905 CB MET A 59 -14.322 6.463 6.498 1.00 0.90 C ATOM 906 CG MET A 59 -13.652 7.263 7.619 1.00 1.02 C ATOM 907 SD MET A 59 -12.345 6.356 8.476 1.00 2.32 S ATOM 908 CE MET A 59 -11.838 7.633 9.655 1.00 2.54 C ATOM 0 H MET A 59 -16.639 6.801 7.421 1.00 0.84 H new ATOM 0 HA MET A 59 -14.983 8.300 5.579 1.00 0.75 H new ATOM 0 HB2 MET A 59 -14.774 5.559 6.907 1.00 0.90 H new ATOM 0 HB3 MET A 59 -13.574 6.145 5.771 1.00 0.90 H new ATOM 0 HG2 MET A 59 -13.233 8.178 7.200 1.00 1.02 H new ATOM 0 HG3 MET A 59 -14.410 7.562 8.343 1.00 1.02 H new ATOM 0 HE1 MET A 59 -11.029 7.252 10.279 1.00 2.54 H new ATOM 0 HE2 MET A 59 -11.494 8.513 9.112 1.00 2.54 H new ATOM 0 HE3 MET A 59 -12.685 7.904 10.285 1.00 2.54 H new ATOM 918 N GLY A 60 -14.810 6.689 3.524 1.00 0.67 N ATOM 919 CA GLY A 60 -14.895 6.091 2.192 1.00 0.79 C ATOM 920 C GLY A 60 -13.548 5.539 1.718 1.00 0.65 C ATOM 921 O GLY A 60 -12.510 5.810 2.316 1.00 0.60 O ATOM 0 H GLY A 60 -13.888 7.085 3.710 1.00 0.67 H new ATOM 0 HA2 GLY A 60 -15.631 5.287 2.203 1.00 0.79 H new ATOM 0 HA3 GLY A 60 -15.249 6.838 1.482 1.00 0.79 H new ATOM 925 N MET A 61 -13.569 4.764 0.633 1.00 0.66 N ATOM 926 CA MET A 61 -12.399 4.154 -0.005 1.00 0.55 C ATOM 927 C MET A 61 -12.660 4.031 -1.507 1.00 0.57 C ATOM 928 O MET A 61 -13.799 3.833 -1.927 1.00 0.71 O ATOM 929 CB MET A 61 -12.136 2.801 0.681 1.00 0.64 C ATOM 930 CG MET A 61 -11.104 1.893 -0.006 1.00 0.65 C ATOM 931 SD MET A 61 -10.983 0.166 0.576 1.00 0.50 S ATOM 932 CE MET A 61 -11.473 0.312 2.315 1.00 1.09 C ATOM 0 H MET A 61 -14.439 4.534 0.153 1.00 0.66 H new ATOM 0 HA MET A 61 -11.503 4.764 0.109 1.00 0.55 H new ATOM 0 HB2 MET A 61 -11.803 2.991 1.701 1.00 0.64 H new ATOM 0 HB3 MET A 61 -13.080 2.260 0.749 1.00 0.64 H new ATOM 0 HG2 MET A 61 -11.329 1.874 -1.072 1.00 0.65 H new ATOM 0 HG3 MET A 61 -10.123 2.355 0.104 1.00 0.65 H new ATOM 0 HE1 MET A 61 -11.323 -0.644 2.817 1.00 1.09 H new ATOM 0 HE2 MET A 61 -10.866 1.076 2.801 1.00 1.09 H new ATOM 0 HE3 MET A 61 -12.525 0.592 2.374 1.00 1.09 H new ATOM 942 N ARG A 62 -11.609 4.193 -2.312 1.00 0.49 N ATOM 943 CA ARG A 62 -11.657 4.168 -3.778 1.00 0.53 C ATOM 944 C ARG A 62 -10.345 3.603 -4.332 1.00 0.44 C ATOM 945 O ARG A 62 -9.315 3.787 -3.683 1.00 0.44 O ATOM 946 CB ARG A 62 -11.812 5.597 -4.329 1.00 0.84 C ATOM 947 CG ARG A 62 -13.234 6.168 -4.307 1.00 1.25 C ATOM 948 CD ARG A 62 -13.355 7.382 -5.246 1.00 1.53 C ATOM 949 NE ARG A 62 -12.290 8.381 -5.024 1.00 2.51 N ATOM 950 CZ ARG A 62 -11.611 9.079 -5.927 1.00 3.48 C ATOM 951 NH1 ARG A 62 -11.927 9.086 -7.204 1.00 3.75 N ATOM 952 NH2 ARG A 62 -10.572 9.778 -5.541 1.00 4.42 N ATOM 0 H ARG A 62 -10.668 4.351 -1.951 1.00 0.49 H new ATOM 0 HA ARG A 62 -12.503 3.549 -4.078 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -11.165 6.260 -3.755 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -11.451 5.611 -5.357 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -13.944 5.398 -4.609 1.00 1.25 H new ATOM 0 HG3 ARG A 62 -13.496 6.462 -3.291 1.00 1.25 H new ATOM 0 HD2 ARG A 62 -13.318 7.041 -6.281 1.00 1.53 H new ATOM 0 HD3 ARG A 62 -14.327 7.854 -5.100 1.00 1.53 H new ATOM 0 HE ARG A 62 -12.044 8.558 -4.050 1.00 2.51 H new ATOM 0 HH11 ARG A 62 -12.722 8.540 -7.536 1.00 3.75 H new ATOM 0 HH12 ARG A 62 -11.377 9.637 -7.863 1.00 3.75 H new ATOM 0 HH21 ARG A 62 -10.295 9.781 -4.559 1.00 4.42 H new ATOM 0 HH22 ARG A 62 -10.040 10.319 -6.222 1.00 4.42 H new ATOM 966 N PRO A 63 -10.335 2.986 -5.526 1.00 0.45 N ATOM 967 CA PRO A 63 -9.108 2.755 -6.264 1.00 0.45 C ATOM 968 C PRO A 63 -8.609 4.053 -6.907 1.00 0.44 C ATOM 969 O PRO A 63 -9.396 4.958 -7.175 1.00 0.45 O ATOM 970 CB PRO A 63 -9.452 1.687 -7.295 1.00 0.47 C ATOM 971 CG PRO A 63 -10.908 2.020 -7.635 1.00 0.50 C ATOM 972 CD PRO A 63 -11.478 2.519 -6.301 1.00 0.50 C ATOM 0 HA PRO A 63 -8.293 2.421 -5.622 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -8.806 1.744 -8.171 1.00 0.47 H new ATOM 0 HB3 PRO A 63 -9.349 0.681 -6.888 1.00 0.47 H new ATOM 0 HG2 PRO A 63 -10.975 2.782 -8.411 1.00 0.50 H new ATOM 0 HG3 PRO A 63 -11.446 1.145 -8.000 1.00 0.50 H new ATOM 0 HD2 PRO A 63 -12.197 3.323 -6.460 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -12.004 1.720 -5.778 1.00 0.50 H new ATOM 980 N VAL A 64 -7.294 4.127 -7.143 1.00 0.42 N ATOM 981 CA VAL A 64 -6.580 5.297 -7.697 1.00 0.39 C ATOM 982 C VAL A 64 -5.516 4.841 -8.719 1.00 0.40 C ATOM 983 O VAL A 64 -5.125 3.672 -8.678 1.00 0.42 O ATOM 984 CB VAL A 64 -5.952 6.166 -6.575 1.00 0.38 C ATOM 985 CG1 VAL A 64 -7.031 6.734 -5.645 1.00 0.54 C ATOM 986 CG2 VAL A 64 -4.887 5.436 -5.744 1.00 0.61 C ATOM 0 H VAL A 64 -6.668 3.346 -6.948 1.00 0.42 H new ATOM 0 HA VAL A 64 -7.306 5.923 -8.215 1.00 0.39 H new ATOM 0 HB VAL A 64 -5.445 6.979 -7.094 1.00 0.38 H new ATOM 0 HG11 VAL A 64 -6.561 7.338 -4.869 1.00 0.54 H new ATOM 0 HG12 VAL A 64 -7.718 7.353 -6.221 1.00 0.54 H new ATOM 0 HG13 VAL A 64 -7.581 5.914 -5.183 1.00 0.54 H new ATOM 0 HG21 VAL A 64 -4.496 6.109 -4.981 1.00 0.61 H new ATOM 0 HG22 VAL A 64 -5.334 4.565 -5.265 1.00 0.61 H new ATOM 0 HG23 VAL A 64 -4.074 5.115 -6.395 1.00 0.61 H new ATOM 996 N PRO A 65 -5.064 5.704 -9.658 1.00 0.44 N ATOM 997 CA PRO A 65 -4.260 5.284 -10.806 1.00 0.49 C ATOM 998 C PRO A 65 -2.775 5.128 -10.480 1.00 0.45 C ATOM 999 O PRO A 65 -2.111 4.336 -11.141 1.00 0.45 O ATOM 1000 CB PRO A 65 -4.495 6.359 -11.871 1.00 0.59 C ATOM 1001 CG PRO A 65 -4.691 7.627 -11.047 1.00 0.57 C ATOM 1002 CD PRO A 65 -5.402 7.118 -9.794 1.00 0.48 C ATOM 0 HA PRO A 65 -4.560 4.292 -11.144 1.00 0.49 H new ATOM 0 HB2 PRO A 65 -3.646 6.446 -12.549 1.00 0.59 H new ATOM 0 HB3 PRO A 65 -5.370 6.136 -12.482 1.00 0.59 H new ATOM 0 HG2 PRO A 65 -3.740 8.102 -10.806 1.00 0.57 H new ATOM 0 HG3 PRO A 65 -5.291 8.365 -11.579 1.00 0.57 H new ATOM 0 HD2 PRO A 65 -5.082 7.677 -8.915 1.00 0.48 H new ATOM 0 HD3 PRO A 65 -6.480 7.250 -9.882 1.00 0.48 H new ATOM 1010 N PHE A 66 -2.269 5.855 -9.477 1.00 0.43 N ATOM 1011 CA PHE A 66 -0.874 5.827 -9.018 1.00 0.43 C ATOM 1012 C PHE A 66 -0.656 6.740 -7.806 1.00 0.46 C ATOM 1013 O PHE A 66 -1.444 7.652 -7.549 1.00 0.50 O ATOM 1014 CB PHE A 66 0.106 6.224 -10.136 1.00 0.50 C ATOM 1015 CG PHE A 66 -0.066 7.647 -10.612 1.00 0.59 C ATOM 1016 CD1 PHE A 66 0.579 8.692 -9.928 1.00 1.97 C ATOM 1017 CD2 PHE A 66 -0.922 7.933 -11.687 1.00 1.44 C ATOM 1018 CE1 PHE A 66 0.358 10.025 -10.295 1.00 2.05 C ATOM 1019 CE2 PHE A 66 -1.124 9.270 -12.080 1.00 1.43 C ATOM 1020 CZ PHE A 66 -0.489 10.315 -11.382 1.00 0.79 C ATOM 0 H PHE A 66 -2.843 6.506 -8.941 1.00 0.43 H new ATOM 0 HA PHE A 66 -0.672 4.797 -8.725 1.00 0.43 H new ATOM 0 HB2 PHE A 66 1.127 6.090 -9.778 1.00 0.50 H new ATOM 0 HB3 PHE A 66 -0.026 5.548 -10.981 1.00 0.50 H new ATOM 0 HD1 PHE A 66 1.250 8.465 -9.113 1.00 1.97 H new ATOM 0 HD2 PHE A 66 -1.423 7.132 -12.210 1.00 1.44 H new ATOM 0 HE1 PHE A 66 0.834 10.825 -9.748 1.00 2.05 H new ATOM 0 HE2 PHE A 66 -1.767 9.494 -12.918 1.00 1.43 H new ATOM 0 HZ PHE A 66 -0.652 11.340 -11.681 1.00 0.79 H new ATOM 1030 N LEU A 67 0.480 6.539 -7.128 1.00 0.50 N ATOM 1031 CA LEU A 67 1.060 7.474 -6.159 1.00 0.60 C ATOM 1032 C LEU A 67 2.352 8.083 -6.712 1.00 0.71 C ATOM 1033 O LEU A 67 3.050 7.453 -7.505 1.00 0.73 O ATOM 1034 CB LEU A 67 1.373 6.764 -4.828 1.00 0.63 C ATOM 1035 CG LEU A 67 0.241 5.940 -4.192 1.00 0.56 C ATOM 1036 CD1 LEU A 67 0.637 5.578 -2.760 1.00 0.65 C ATOM 1037 CD2 LEU A 67 -1.111 6.655 -4.141 1.00 0.54 C ATOM 0 H LEU A 67 1.038 5.693 -7.243 1.00 0.50 H new ATOM 0 HA LEU A 67 0.328 8.262 -5.981 1.00 0.60 H new ATOM 0 HB2 LEU A 67 2.224 6.102 -4.989 1.00 0.63 H new ATOM 0 HB3 LEU A 67 1.688 7.519 -4.108 1.00 0.63 H new ATOM 0 HG LEU A 67 0.113 5.064 -4.828 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -0.159 4.993 -2.299 1.00 0.65 H new ATOM 0 HD12 LEU A 67 1.556 4.992 -2.774 1.00 0.65 H new ATOM 0 HD13 LEU A 67 0.797 6.490 -2.185 1.00 0.65 H new ATOM 0 HD21 LEU A 67 -1.851 6.002 -3.678 1.00 0.54 H new ATOM 0 HD22 LEU A 67 -1.017 7.570 -3.556 1.00 0.54 H new ATOM 0 HD23 LEU A 67 -1.430 6.903 -5.153 1.00 0.54 H new ATOM 1049 N GLU A 68 2.689 9.289 -6.256 1.00 0.80 N ATOM 1050 CA GLU A 68 3.903 10.021 -6.629 1.00 0.90 C ATOM 1051 C GLU A 68 4.854 10.099 -5.430 1.00 1.08 C ATOM 1052 O GLU A 68 4.395 10.238 -4.296 1.00 1.26 O ATOM 1053 CB GLU A 68 3.498 11.446 -7.055 1.00 1.09 C ATOM 1054 CG GLU A 68 4.656 12.323 -7.565 1.00 1.16 C ATOM 1055 CD GLU A 68 5.006 12.039 -9.026 1.00 1.20 C ATOM 1056 OE1 GLU A 68 5.011 10.862 -9.442 1.00 2.05 O ATOM 1057 OE2 GLU A 68 5.182 13.009 -9.795 1.00 1.63 O ATOM 0 H GLU A 68 2.106 9.802 -5.595 1.00 0.80 H new ATOM 0 HA GLU A 68 4.409 9.509 -7.447 1.00 0.90 H new ATOM 0 HB2 GLU A 68 2.743 11.375 -7.838 1.00 1.09 H new ATOM 0 HB3 GLU A 68 3.030 11.944 -6.206 1.00 1.09 H new ATOM 0 HG2 GLU A 68 4.387 13.374 -7.457 1.00 1.16 H new ATOM 0 HG3 GLU A 68 5.536 12.154 -6.944 1.00 1.16 H new ATOM 1064 N VAL A 69 6.169 10.088 -5.676 1.00 1.08 N ATOM 1065 CA VAL A 69 7.177 10.506 -4.695 1.00 1.16 C ATOM 1066 C VAL A 69 8.206 11.465 -5.327 1.00 1.03 C ATOM 1067 O VAL A 69 8.883 11.075 -6.280 1.00 0.99 O ATOM 1068 CB VAL A 69 7.898 9.292 -4.059 1.00 1.23 C ATOM 1069 CG1 VAL A 69 8.800 9.753 -2.901 1.00 1.32 C ATOM 1070 CG2 VAL A 69 6.915 8.260 -3.496 1.00 1.41 C ATOM 0 H VAL A 69 6.566 9.787 -6.566 1.00 1.08 H new ATOM 0 HA VAL A 69 6.648 11.036 -3.903 1.00 1.16 H new ATOM 0 HB VAL A 69 8.483 8.832 -4.855 1.00 1.23 H new ATOM 0 HG11 VAL A 69 9.300 8.889 -2.463 1.00 1.32 H new ATOM 0 HG12 VAL A 69 9.546 10.453 -3.277 1.00 1.32 H new ATOM 0 HG13 VAL A 69 8.193 10.244 -2.141 1.00 1.32 H new ATOM 0 HG21 VAL A 69 7.470 7.429 -3.061 1.00 1.41 H new ATOM 0 HG22 VAL A 69 6.299 8.726 -2.727 1.00 1.41 H new ATOM 0 HG23 VAL A 69 6.277 7.890 -4.298 1.00 1.41 H new ATOM 1080 N PRO A 70 8.368 12.699 -4.806 1.00 1.02 N ATOM 1081 CA PRO A 70 9.316 13.676 -5.340 1.00 0.95 C ATOM 1082 C PRO A 70 10.773 13.258 -5.060 1.00 0.85 C ATOM 1083 O PRO A 70 11.004 12.467 -4.147 1.00 0.91 O ATOM 1084 CB PRO A 70 8.958 15.001 -4.653 1.00 1.08 C ATOM 1085 CG PRO A 70 8.399 14.555 -3.305 1.00 1.17 C ATOM 1086 CD PRO A 70 7.676 13.254 -3.648 1.00 1.19 C ATOM 0 HA PRO A 70 9.247 13.759 -6.425 1.00 0.95 H new ATOM 0 HB2 PRO A 70 9.832 15.642 -4.534 1.00 1.08 H new ATOM 0 HB3 PRO A 70 8.223 15.566 -5.226 1.00 1.08 H new ATOM 0 HG2 PRO A 70 9.190 14.396 -2.572 1.00 1.17 H new ATOM 0 HG3 PRO A 70 7.719 15.296 -2.885 1.00 1.17 H new ATOM 0 HD2 PRO A 70 7.704 12.560 -2.808 1.00 1.19 H new ATOM 0 HD3 PRO A 70 6.626 13.440 -3.874 1.00 1.19 H new ATOM 1094 N PRO A 71 11.759 13.781 -5.820 1.00 0.80 N ATOM 1095 CA PRO A 71 13.170 13.427 -5.671 1.00 0.76 C ATOM 1096 C PRO A 71 13.709 13.763 -4.281 1.00 0.85 C ATOM 1097 O PRO A 71 13.362 14.797 -3.715 1.00 0.94 O ATOM 1098 CB PRO A 71 13.908 14.181 -6.775 1.00 0.81 C ATOM 1099 CG PRO A 71 12.981 15.334 -7.141 1.00 0.90 C ATOM 1100 CD PRO A 71 11.595 14.753 -6.891 1.00 0.88 C ATOM 0 HA PRO A 71 13.315 12.351 -5.766 1.00 0.76 H new ATOM 0 HB2 PRO A 71 14.875 14.545 -6.428 1.00 0.81 H new ATOM 0 HB3 PRO A 71 14.099 13.538 -7.634 1.00 0.81 H new ATOM 0 HG2 PRO A 71 13.167 16.213 -6.524 1.00 0.90 H new ATOM 0 HG3 PRO A 71 13.109 15.640 -8.179 1.00 0.90 H new ATOM 0 HD2 PRO A 71 10.890 15.534 -6.606 1.00 0.88 H new ATOM 0 HD3 PRO A 71 11.201 14.280 -7.791 1.00 0.88 H new ATOM 1108 N LYS A 72 14.527 12.855 -3.726 1.00 0.89 N ATOM 1109 CA LYS A 72 15.137 12.927 -2.381 1.00 1.03 C ATOM 1110 C LYS A 72 14.118 12.855 -1.224 1.00 1.13 C ATOM 1111 O LYS A 72 14.496 12.851 -0.055 1.00 1.35 O ATOM 1112 CB LYS A 72 16.049 14.163 -2.258 1.00 1.13 C ATOM 1113 CG LYS A 72 17.000 14.378 -3.447 1.00 1.32 C ATOM 1114 CD LYS A 72 17.970 13.214 -3.693 1.00 1.12 C ATOM 1115 CE LYS A 72 18.721 13.475 -5.003 1.00 1.56 C ATOM 1116 NZ LYS A 72 19.621 12.362 -5.382 1.00 1.70 N ATOM 0 H LYS A 72 14.797 12.007 -4.225 1.00 0.89 H new ATOM 0 HA LYS A 72 15.748 12.030 -2.279 1.00 1.03 H new ATOM 0 HB2 LYS A 72 15.424 15.049 -2.144 1.00 1.13 H new ATOM 0 HB3 LYS A 72 16.642 14.072 -1.348 1.00 1.13 H new ATOM 0 HG2 LYS A 72 16.408 14.539 -4.348 1.00 1.32 H new ATOM 0 HG3 LYS A 72 17.576 15.287 -3.277 1.00 1.32 H new ATOM 0 HD2 LYS A 72 18.673 13.125 -2.865 1.00 1.12 H new ATOM 0 HD3 LYS A 72 17.424 12.272 -3.750 1.00 1.12 H new ATOM 0 HE2 LYS A 72 17.999 13.641 -5.803 1.00 1.56 H new ATOM 0 HE3 LYS A 72 19.305 14.390 -4.905 1.00 1.56 H new ATOM 0 HZ1 LYS A 72 20.600 12.607 -5.131 1.00 1.70 H new ATOM 0 HZ2 LYS A 72 19.339 11.499 -4.874 1.00 1.70 H new ATOM 0 HZ3 LYS A 72 19.557 12.197 -6.407 1.00 1.70 H new ATOM 1130 N GLY A 73 12.826 12.814 -1.557 1.00 1.07 N ATOM 1131 CA GLY A 73 11.681 12.825 -0.645 1.00 1.16 C ATOM 1132 C GLY A 73 11.133 11.431 -0.351 1.00 1.02 C ATOM 1133 O GLY A 73 11.670 10.419 -0.802 1.00 1.00 O ATOM 0 H GLY A 73 12.533 12.769 -2.533 1.00 1.07 H new ATOM 0 HA2 GLY A 73 11.976 13.298 0.292 1.00 1.16 H new ATOM 0 HA3 GLY A 73 10.888 13.437 -1.075 1.00 1.16 H new ATOM 1137 N ARG A 74 10.042 11.388 0.422 1.00 1.15 N ATOM 1138 CA ARG A 74 9.254 10.175 0.672 1.00 1.15 C ATOM 1139 C ARG A 74 7.768 10.476 0.871 1.00 1.32 C ATOM 1140 O ARG A 74 7.427 11.569 1.319 1.00 1.70 O ATOM 1141 CB ARG A 74 9.839 9.364 1.839 1.00 1.52 C ATOM 1142 CG ARG A 74 9.641 9.916 3.261 1.00 1.42 C ATOM 1143 CD ARG A 74 10.269 8.935 4.231 1.00 1.59 C ATOM 1144 NE ARG A 74 9.727 8.987 5.594 1.00 1.99 N ATOM 1145 CZ ARG A 74 9.965 8.039 6.497 1.00 2.62 C ATOM 1146 NH1 ARG A 74 10.851 7.083 6.331 1.00 3.38 N ATOM 1147 NH2 ARG A 74 9.281 7.983 7.613 1.00 3.50 N ATOM 0 H ARG A 74 9.675 12.211 0.900 1.00 1.15 H new ATOM 0 HA ARG A 74 9.322 9.558 -0.224 1.00 1.15 H new ATOM 0 HB2 ARG A 74 9.406 8.364 1.804 1.00 1.52 H new ATOM 0 HB3 ARG A 74 10.910 9.254 1.668 1.00 1.52 H new ATOM 0 HG2 ARG A 74 10.104 10.898 3.357 1.00 1.42 H new ATOM 0 HG3 ARG A 74 8.580 10.041 3.478 1.00 1.42 H new ATOM 0 HD2 ARG A 74 10.138 7.926 3.841 1.00 1.59 H new ATOM 0 HD3 ARG A 74 11.342 9.124 4.274 1.00 1.59 H new ATOM 0 HE ARG A 74 9.145 9.781 5.860 1.00 1.99 H new ATOM 0 HH11 ARG A 74 11.401 7.041 5.473 1.00 3.38 H new ATOM 0 HH12 ARG A 74 10.989 6.383 7.060 1.00 3.38 H new ATOM 0 HH21 ARG A 74 8.553 8.673 7.800 1.00 3.50 H new ATOM 0 HH22 ARG A 74 9.476 7.250 8.295 1.00 3.50 H new ATOM 1161 N VAL A 75 6.909 9.506 0.554 1.00 1.44 N ATOM 1162 CA VAL A 75 5.454 9.519 0.817 1.00 1.96 C ATOM 1163 C VAL A 75 5.036 8.097 1.194 1.00 1.54 C ATOM 1164 O VAL A 75 5.464 7.146 0.554 1.00 1.52 O ATOM 1165 CB VAL A 75 4.616 9.997 -0.401 1.00 2.82 C ATOM 1166 CG1 VAL A 75 3.116 10.060 -0.053 1.00 3.49 C ATOM 1167 CG2 VAL A 75 5.053 11.382 -0.911 1.00 3.26 C ATOM 0 H VAL A 75 7.212 8.651 0.088 1.00 1.44 H new ATOM 0 HA VAL A 75 5.261 10.229 1.622 1.00 1.96 H new ATOM 0 HB VAL A 75 4.790 9.263 -1.188 1.00 2.82 H new ATOM 0 HG11 VAL A 75 2.554 10.398 -0.924 1.00 3.49 H new ATOM 0 HG12 VAL A 75 2.769 9.070 0.241 1.00 3.49 H new ATOM 0 HG13 VAL A 75 2.962 10.758 0.770 1.00 3.49 H new ATOM 0 HG21 VAL A 75 4.435 11.668 -1.762 1.00 3.26 H new ATOM 0 HG22 VAL A 75 4.936 12.117 -0.114 1.00 3.26 H new ATOM 0 HG23 VAL A 75 6.098 11.344 -1.218 1.00 3.26 H new ATOM 1177 N GLU A 76 4.238 7.928 2.246 1.00 1.40 N ATOM 1178 CA GLU A 76 3.816 6.620 2.763 1.00 1.03 C ATOM 1179 C GLU A 76 2.386 6.261 2.335 1.00 0.94 C ATOM 1180 O GLU A 76 1.481 7.099 2.354 1.00 1.18 O ATOM 1181 CB GLU A 76 3.953 6.501 4.306 1.00 1.21 C ATOM 1182 CG GLU A 76 4.646 7.649 5.066 1.00 1.66 C ATOM 1183 CD GLU A 76 3.687 8.832 5.188 1.00 2.33 C ATOM 1184 OE1 GLU A 76 2.837 8.832 6.101 1.00 3.12 O ATOM 1185 OE2 GLU A 76 3.639 9.658 4.252 1.00 3.29 O ATOM 0 H GLU A 76 3.856 8.711 2.777 1.00 1.40 H new ATOM 0 HA GLU A 76 4.503 5.902 2.315 1.00 1.03 H new ATOM 0 HB2 GLU A 76 2.952 6.383 4.721 1.00 1.21 H new ATOM 0 HB3 GLU A 76 4.498 5.582 4.522 1.00 1.21 H new ATOM 0 HG2 GLU A 76 4.951 7.311 6.056 1.00 1.66 H new ATOM 0 HG3 GLU A 76 5.551 7.953 4.540 1.00 1.66 H new ATOM 1192 N LEU A 77 2.157 4.974 2.066 1.00 0.71 N ATOM 1193 CA LEU A 77 0.855 4.335 2.223 1.00 0.75 C ATOM 1194 C LEU A 77 0.614 4.139 3.735 1.00 1.20 C ATOM 1195 O LEU A 77 1.498 3.642 4.433 1.00 2.44 O ATOM 1196 CB LEU A 77 0.834 3.018 1.410 1.00 0.65 C ATOM 1197 CG LEU A 77 1.017 3.216 -0.116 1.00 0.58 C ATOM 1198 CD1 LEU A 77 2.450 2.932 -0.594 1.00 0.77 C ATOM 1199 CD2 LEU A 77 0.073 2.317 -0.925 1.00 0.86 C ATOM 0 H LEU A 77 2.882 4.341 1.729 1.00 0.71 H new ATOM 0 HA LEU A 77 0.040 4.944 1.832 1.00 0.75 H new ATOM 0 HB2 LEU A 77 1.624 2.363 1.778 1.00 0.65 H new ATOM 0 HB3 LEU A 77 -0.112 2.508 1.589 1.00 0.65 H new ATOM 0 HG LEU A 77 0.784 4.267 -0.287 1.00 0.58 H new ATOM 0 HD11 LEU A 77 2.512 3.089 -1.671 1.00 0.77 H new ATOM 0 HD12 LEU A 77 3.142 3.606 -0.089 1.00 0.77 H new ATOM 0 HD13 LEU A 77 2.713 1.900 -0.362 1.00 0.77 H new ATOM 0 HD21 LEU A 77 0.233 2.486 -1.990 1.00 0.86 H new ATOM 0 HD22 LEU A 77 0.275 1.272 -0.689 1.00 0.86 H new ATOM 0 HD23 LEU A 77 -0.960 2.553 -0.671 1.00 0.86 H new ATOM 1211 N LYS A 78 -0.548 4.548 4.257 1.00 1.39 N ATOM 1212 CA LYS A 78 -0.861 4.621 5.699 1.00 1.52 C ATOM 1213 C LYS A 78 -2.287 4.128 6.044 1.00 1.33 C ATOM 1214 O LYS A 78 -3.168 4.228 5.186 1.00 1.22 O ATOM 1215 CB LYS A 78 -0.633 6.068 6.198 1.00 1.67 C ATOM 1216 CG LYS A 78 -1.580 7.152 5.627 1.00 1.55 C ATOM 1217 CD LYS A 78 -0.993 7.957 4.458 1.00 1.97 C ATOM 1218 CE LYS A 78 0.163 8.837 4.950 1.00 1.80 C ATOM 1219 NZ LYS A 78 0.973 9.393 3.845 1.00 2.48 N ATOM 0 H LYS A 78 -1.327 4.849 3.671 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.186 3.940 6.216 1.00 1.52 H new ATOM 0 HB2 LYS A 78 -0.724 6.073 7.284 1.00 1.67 H new ATOM 0 HB3 LYS A 78 0.393 6.353 5.963 1.00 1.67 H new ATOM 0 HG2 LYS A 78 -2.502 6.674 5.296 1.00 1.55 H new ATOM 0 HG3 LYS A 78 -1.848 7.841 6.428 1.00 1.55 H new ATOM 0 HD2 LYS A 78 -0.639 7.279 3.681 1.00 1.97 H new ATOM 0 HD3 LYS A 78 -1.768 8.579 4.009 1.00 1.97 H new ATOM 0 HE2 LYS A 78 -0.239 9.656 5.547 1.00 1.80 H new ATOM 0 HE3 LYS A 78 0.806 8.250 5.606 1.00 1.80 H new ATOM 0 HZ1 LYS A 78 1.823 9.850 4.233 1.00 2.48 H new ATOM 0 HZ2 LYS A 78 1.255 8.626 3.202 1.00 2.48 H new ATOM 0 HZ3 LYS A 78 0.411 10.095 3.322 1.00 2.48 H new ATOM 1233 N PRO A 79 -2.560 3.659 7.287 1.00 1.54 N ATOM 1234 CA PRO A 79 -3.876 3.151 7.690 1.00 1.65 C ATOM 1235 C PRO A 79 -5.003 4.174 7.540 1.00 1.43 C ATOM 1236 O PRO A 79 -6.093 3.797 7.122 1.00 2.32 O ATOM 1237 CB PRO A 79 -3.731 2.668 9.136 1.00 2.02 C ATOM 1238 CG PRO A 79 -2.535 3.462 9.648 1.00 1.98 C ATOM 1239 CD PRO A 79 -1.640 3.522 8.408 1.00 1.90 C ATOM 0 HA PRO A 79 -4.172 2.338 7.026 1.00 1.65 H new ATOM 0 HB2 PRO A 79 -4.629 2.870 9.720 1.00 2.02 H new ATOM 0 HB3 PRO A 79 -3.553 1.594 9.186 1.00 2.02 H new ATOM 0 HG2 PRO A 79 -2.822 4.455 9.993 1.00 1.98 H new ATOM 0 HG3 PRO A 79 -2.042 2.965 10.483 1.00 1.98 H new ATOM 0 HD2 PRO A 79 -0.951 4.365 8.459 1.00 1.90 H new ATOM 0 HD3 PRO A 79 -1.034 2.621 8.314 1.00 1.90 H new ATOM 1247 N GLY A 80 -4.740 5.459 7.811 1.00 0.89 N ATOM 1248 CA GLY A 80 -5.734 6.530 7.652 1.00 1.02 C ATOM 1249 C GLY A 80 -5.903 7.050 6.219 1.00 1.05 C ATOM 1250 O GLY A 80 -6.474 8.122 6.047 1.00 1.79 O ATOM 0 H GLY A 80 -3.834 5.786 8.146 1.00 0.89 H new ATOM 0 HA2 GLY A 80 -6.698 6.166 8.006 1.00 1.02 H new ATOM 0 HA3 GLY A 80 -5.453 7.364 8.294 1.00 1.02 H new ATOM 1254 N GLY A 81 -5.370 6.361 5.197 1.00 0.72 N ATOM 1255 CA GLY A 81 -5.390 6.844 3.809 1.00 0.73 C ATOM 1256 C GLY A 81 -4.967 5.814 2.768 1.00 0.87 C ATOM 1257 O GLY A 81 -5.583 4.754 2.637 1.00 1.76 O ATOM 0 H GLY A 81 -4.914 5.456 5.310 1.00 0.72 H new ATOM 0 HA2 GLY A 81 -6.398 7.186 3.573 1.00 0.73 H new ATOM 0 HA3 GLY A 81 -4.733 7.710 3.731 1.00 0.73 H new ATOM 1261 N TYR A 82 -3.937 6.135 1.985 1.00 0.53 N ATOM 1262 CA TYR A 82 -3.590 5.350 0.795 1.00 0.51 C ATOM 1263 C TYR A 82 -2.997 3.998 1.169 1.00 0.54 C ATOM 1264 O TYR A 82 -2.247 3.878 2.131 1.00 0.62 O ATOM 1265 CB TYR A 82 -2.575 6.093 -0.073 1.00 0.57 C ATOM 1266 CG TYR A 82 -3.136 7.307 -0.770 1.00 0.56 C ATOM 1267 CD1 TYR A 82 -3.772 7.145 -2.011 1.00 1.76 C ATOM 1268 CD2 TYR A 82 -3.024 8.587 -0.195 1.00 1.66 C ATOM 1269 CE1 TYR A 82 -4.266 8.264 -2.698 1.00 1.81 C ATOM 1270 CE2 TYR A 82 -3.536 9.710 -0.870 1.00 1.64 C ATOM 1271 CZ TYR A 82 -4.152 9.554 -2.136 1.00 0.62 C ATOM 1272 OH TYR A 82 -4.626 10.633 -2.816 1.00 0.69 O ATOM 0 H TYR A 82 -3.326 6.934 2.152 1.00 0.53 H new ATOM 0 HA TYR A 82 -4.516 5.199 0.241 1.00 0.51 H new ATOM 0 HB2 TYR A 82 -1.735 6.400 0.550 1.00 0.57 H new ATOM 0 HB3 TYR A 82 -2.181 5.406 -0.822 1.00 0.57 H new ATOM 0 HD1 TYR A 82 -3.881 6.159 -2.437 1.00 1.76 H new ATOM 0 HD2 TYR A 82 -2.545 8.707 0.765 1.00 1.66 H new ATOM 0 HE1 TYR A 82 -4.736 8.138 -3.662 1.00 1.81 H new ATOM 0 HE2 TYR A 82 -3.459 10.690 -0.423 1.00 1.64 H new ATOM 0 HH TYR A 82 -4.470 11.445 -2.290 1.00 0.69 H new ATOM 1282 N HIS A 83 -3.365 2.972 0.415 1.00 0.48 N ATOM 1283 CA HIS A 83 -3.002 1.577 0.684 1.00 0.47 C ATOM 1284 C HIS A 83 -3.175 0.687 -0.551 1.00 0.42 C ATOM 1285 O HIS A 83 -4.050 0.942 -1.380 1.00 0.46 O ATOM 1286 CB HIS A 83 -3.813 1.053 1.870 1.00 0.52 C ATOM 1287 CG HIS A 83 -5.292 1.003 1.614 1.00 0.50 C ATOM 1288 ND1 HIS A 83 -6.144 2.083 1.618 1.00 0.55 N ATOM 1289 CD2 HIS A 83 -6.017 -0.093 1.238 1.00 0.48 C ATOM 1290 CE1 HIS A 83 -7.353 1.660 1.228 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -7.318 0.340 0.993 1.00 0.49 N ATOM 0 H HIS A 83 -3.938 3.083 -0.422 1.00 0.48 H new ATOM 0 HA HIS A 83 -1.943 1.544 0.939 1.00 0.47 H new ATOM 0 HB2 HIS A 83 -3.463 0.053 2.125 1.00 0.52 H new ATOM 0 HB3 HIS A 83 -3.624 1.687 2.736 1.00 0.52 H new ATOM 0 HD1 HIS A 83 -5.898 3.039 1.874 1.00 0.55 H new ATOM 0 HD2 HIS A 83 -5.650 -1.105 1.148 1.00 0.48 H new ATOM 0 HE1 HIS A 83 -8.225 2.287 1.119 1.00 0.52 H new ATOM 1299 N PHE A 84 -2.419 -0.407 -0.620 1.00 0.37 N ATOM 1300 CA PHE A 84 -2.762 -1.504 -1.518 1.00 0.37 C ATOM 1301 C PHE A 84 -3.872 -2.344 -0.892 1.00 0.41 C ATOM 1302 O PHE A 84 -3.857 -2.576 0.315 1.00 0.64 O ATOM 1303 CB PHE A 84 -1.532 -2.372 -1.790 1.00 0.44 C ATOM 1304 CG PHE A 84 -0.525 -1.678 -2.674 1.00 0.49 C ATOM 1305 CD1 PHE A 84 -0.836 -1.463 -4.027 1.00 1.70 C ATOM 1306 CD2 PHE A 84 0.682 -1.195 -2.136 1.00 1.68 C ATOM 1307 CE1 PHE A 84 0.052 -0.750 -4.844 1.00 1.73 C ATOM 1308 CE2 PHE A 84 1.570 -0.474 -2.951 1.00 1.71 C ATOM 1309 CZ PHE A 84 1.243 -0.244 -4.299 1.00 0.66 C ATOM 0 H PHE A 84 -1.573 -0.556 -0.070 1.00 0.37 H new ATOM 0 HA PHE A 84 -3.111 -1.095 -2.466 1.00 0.37 H new ATOM 0 HB2 PHE A 84 -1.060 -2.636 -0.844 1.00 0.44 H new ATOM 0 HB3 PHE A 84 -1.845 -3.304 -2.261 1.00 0.44 H new ATOM 0 HD1 PHE A 84 -1.758 -1.847 -4.437 1.00 1.70 H new ATOM 0 HD2 PHE A 84 0.925 -1.378 -1.100 1.00 1.68 H new ATOM 0 HE1 PHE A 84 -0.179 -0.591 -5.887 1.00 1.73 H new ATOM 0 HE2 PHE A 84 2.498 -0.099 -2.545 1.00 1.71 H new ATOM 0 HZ PHE A 84 1.915 0.328 -4.922 1.00 0.66 H new ATOM 1319 N MET A 85 -4.801 -2.842 -1.706 1.00 0.34 N ATOM 1320 CA MET A 85 -5.732 -3.922 -1.372 1.00 0.34 C ATOM 1321 C MET A 85 -5.197 -5.217 -1.980 1.00 0.35 C ATOM 1322 O MET A 85 -4.984 -5.263 -3.188 1.00 0.41 O ATOM 1323 CB MET A 85 -7.123 -3.614 -1.923 1.00 0.40 C ATOM 1324 CG MET A 85 -8.208 -4.149 -0.980 1.00 0.54 C ATOM 1325 SD MET A 85 -8.409 -3.142 0.519 1.00 0.71 S ATOM 1326 CE MET A 85 -9.347 -4.296 1.562 1.00 0.63 C ATOM 0 H MET A 85 -4.932 -2.491 -2.655 1.00 0.34 H new ATOM 0 HA MET A 85 -5.815 -4.022 -0.290 1.00 0.34 H new ATOM 0 HB2 MET A 85 -7.240 -2.538 -2.048 1.00 0.40 H new ATOM 0 HB3 MET A 85 -7.237 -4.063 -2.909 1.00 0.40 H new ATOM 0 HG2 MET A 85 -9.158 -4.189 -1.514 1.00 0.54 H new ATOM 0 HG3 MET A 85 -7.960 -5.171 -0.693 1.00 0.54 H new ATOM 0 HE1 MET A 85 -9.554 -3.830 2.525 1.00 0.63 H new ATOM 0 HE2 MET A 85 -10.287 -4.548 1.071 1.00 0.63 H new ATOM 0 HE3 MET A 85 -8.763 -5.204 1.716 1.00 0.63 H new ATOM 1336 N LEU A 86 -4.977 -6.246 -1.167 1.00 0.40 N ATOM 1337 CA LEU A 86 -4.525 -7.567 -1.617 1.00 0.43 C ATOM 1338 C LEU A 86 -5.747 -8.487 -1.710 1.00 0.47 C ATOM 1339 O LEU A 86 -6.516 -8.562 -0.753 1.00 0.65 O ATOM 1340 CB LEU A 86 -3.515 -8.142 -0.608 1.00 0.51 C ATOM 1341 CG LEU A 86 -2.063 -7.627 -0.685 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -1.917 -6.141 -0.322 1.00 0.92 C ATOM 1343 CD2 LEU A 86 -1.203 -8.461 0.281 1.00 1.33 C ATOM 0 H LEU A 86 -5.109 -6.188 -0.157 1.00 0.40 H new ATOM 0 HA LEU A 86 -4.040 -7.488 -2.590 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -3.890 -7.942 0.396 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -3.495 -9.225 -0.731 1.00 0.51 H new ATOM 0 HG LEU A 86 -1.737 -7.730 -1.720 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -0.870 -5.849 -0.398 1.00 0.92 H new ATOM 0 HD12 LEU A 86 -2.512 -5.539 -1.008 1.00 0.92 H new ATOM 0 HD13 LEU A 86 -2.265 -5.980 0.698 1.00 0.92 H new ATOM 0 HD21 LEU A 86 -0.171 -8.113 0.242 1.00 1.33 H new ATOM 0 HD22 LEU A 86 -1.585 -8.351 1.296 1.00 1.33 H new ATOM 0 HD23 LEU A 86 -1.243 -9.511 -0.010 1.00 1.33 H new ATOM 1355 N LEU A 87 -5.929 -9.189 -2.831 1.00 0.53 N ATOM 1356 CA LEU A 87 -7.084 -10.063 -3.065 1.00 0.56 C ATOM 1357 C LEU A 87 -6.644 -11.456 -3.529 1.00 0.55 C ATOM 1358 O LEU A 87 -5.748 -11.597 -4.355 1.00 0.62 O ATOM 1359 CB LEU A 87 -8.020 -9.443 -4.120 1.00 0.71 C ATOM 1360 CG LEU A 87 -8.855 -8.227 -3.663 1.00 0.87 C ATOM 1361 CD1 LEU A 87 -8.120 -6.885 -3.805 1.00 1.79 C ATOM 1362 CD2 LEU A 87 -10.127 -8.177 -4.517 1.00 2.01 C ATOM 0 H LEU A 87 -5.272 -9.167 -3.611 1.00 0.53 H new ATOM 0 HA LEU A 87 -7.617 -10.165 -2.120 1.00 0.56 H new ATOM 0 HB2 LEU A 87 -7.418 -9.142 -4.977 1.00 0.71 H new ATOM 0 HB3 LEU A 87 -8.704 -10.217 -4.467 1.00 0.71 H new ATOM 0 HG LEU A 87 -9.067 -8.360 -2.602 1.00 0.87 H new ATOM 0 HD11 LEU A 87 -8.768 -6.077 -3.465 1.00 1.79 H new ATOM 0 HD12 LEU A 87 -7.213 -6.901 -3.201 1.00 1.79 H new ATOM 0 HD13 LEU A 87 -7.857 -6.723 -4.850 1.00 1.79 H new ATOM 0 HD21 LEU A 87 -10.736 -7.325 -4.214 1.00 2.01 H new ATOM 0 HD22 LEU A 87 -9.856 -8.073 -5.568 1.00 2.01 H new ATOM 0 HD23 LEU A 87 -10.695 -9.097 -4.378 1.00 2.01 H new ATOM 1374 N GLY A 88 -7.305 -12.496 -3.014 1.00 0.58 N ATOM 1375 CA GLY A 88 -7.059 -13.892 -3.407 1.00 0.64 C ATOM 1376 C GLY A 88 -5.806 -14.466 -2.747 1.00 0.76 C ATOM 1377 O GLY A 88 -4.930 -14.991 -3.428 1.00 1.58 O ATOM 0 H GLY A 88 -8.033 -12.395 -2.306 1.00 0.58 H new ATOM 0 HA2 GLY A 88 -7.921 -14.501 -3.136 1.00 0.64 H new ATOM 0 HA3 GLY A 88 -6.956 -13.950 -4.491 1.00 0.64 H new ATOM 1381 N LEU A 89 -5.679 -14.253 -1.440 1.00 0.62 N ATOM 1382 CA LEU A 89 -4.521 -14.596 -0.620 1.00 0.58 C ATOM 1383 C LEU A 89 -4.030 -16.038 -0.729 1.00 0.69 C ATOM 1384 O LEU A 89 -4.762 -16.962 -1.074 1.00 0.87 O ATOM 1385 CB LEU A 89 -4.743 -14.240 0.856 1.00 0.56 C ATOM 1386 CG LEU A 89 -5.442 -12.899 1.157 1.00 0.53 C ATOM 1387 CD1 LEU A 89 -5.416 -12.696 2.667 1.00 0.63 C ATOM 1388 CD2 LEU A 89 -4.789 -11.690 0.466 1.00 0.52 C ATOM 0 H LEU A 89 -6.421 -13.813 -0.896 1.00 0.62 H new ATOM 0 HA LEU A 89 -3.727 -13.981 -1.044 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -5.330 -15.037 1.312 1.00 0.56 H new ATOM 0 HB3 LEU A 89 -3.773 -14.235 1.352 1.00 0.56 H new ATOM 0 HG LEU A 89 -6.457 -12.955 0.764 1.00 0.53 H new ATOM 0 HD11 LEU A 89 -5.904 -11.754 2.916 1.00 0.63 H new ATOM 0 HD12 LEU A 89 -5.943 -13.517 3.154 1.00 0.63 H new ATOM 0 HD13 LEU A 89 -4.383 -12.672 3.013 1.00 0.63 H new ATOM 0 HD21 LEU A 89 -5.336 -10.784 0.725 1.00 0.52 H new ATOM 0 HD22 LEU A 89 -3.755 -11.597 0.797 1.00 0.52 H new ATOM 0 HD23 LEU A 89 -4.813 -11.832 -0.614 1.00 0.52 H new ATOM 1400 N LYS A 90 -2.761 -16.209 -0.358 1.00 0.68 N ATOM 1401 CA LYS A 90 -2.069 -17.507 -0.379 1.00 0.81 C ATOM 1402 C LYS A 90 -1.578 -17.950 1.006 1.00 0.89 C ATOM 1403 O LYS A 90 -1.548 -19.133 1.334 1.00 1.14 O ATOM 1404 CB LYS A 90 -0.876 -17.443 -1.331 1.00 0.80 C ATOM 1405 CG LYS A 90 -1.106 -16.754 -2.688 1.00 0.81 C ATOM 1406 CD LYS A 90 -2.124 -17.484 -3.560 1.00 1.22 C ATOM 1407 CE LYS A 90 -2.164 -16.857 -4.957 1.00 1.19 C ATOM 1408 NZ LYS A 90 -2.905 -17.696 -5.925 1.00 1.67 N ATOM 0 H LYS A 90 -2.173 -15.443 -0.029 1.00 0.68 H new ATOM 0 HA LYS A 90 -2.798 -18.242 -0.719 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -0.062 -16.927 -0.822 1.00 0.80 H new ATOM 0 HB3 LYS A 90 -0.538 -18.462 -1.520 1.00 0.80 H new ATOM 0 HG2 LYS A 90 -1.447 -15.733 -2.518 1.00 0.81 H new ATOM 0 HG3 LYS A 90 -0.158 -16.689 -3.222 1.00 0.81 H new ATOM 0 HD2 LYS A 90 -1.861 -18.539 -3.634 1.00 1.22 H new ATOM 0 HD3 LYS A 90 -3.111 -17.432 -3.101 1.00 1.22 H new ATOM 0 HE2 LYS A 90 -2.631 -15.874 -4.899 1.00 1.19 H new ATOM 0 HE3 LYS A 90 -1.146 -16.706 -5.315 1.00 1.19 H new ATOM 0 HZ1 LYS A 90 -2.608 -17.455 -6.892 1.00 1.67 H new ATOM 0 HZ2 LYS A 90 -2.703 -18.699 -5.740 1.00 1.67 H new ATOM 0 HZ3 LYS A 90 -3.926 -17.524 -5.824 1.00 1.67 H new ATOM 1422 N ARG A 91 -1.205 -16.969 1.828 1.00 0.83 N ATOM 1423 CA ARG A 91 -1.082 -17.091 3.284 1.00 1.01 C ATOM 1424 C ARG A 91 -2.389 -16.574 3.909 1.00 0.83 C ATOM 1425 O ARG A 91 -2.900 -15.571 3.417 1.00 0.84 O ATOM 1426 CB ARG A 91 0.097 -16.226 3.779 1.00 1.37 C ATOM 1427 CG ARG A 91 1.474 -16.834 3.467 1.00 1.45 C ATOM 1428 CD ARG A 91 1.866 -17.946 4.448 1.00 2.11 C ATOM 1429 NE ARG A 91 2.751 -17.452 5.529 1.00 3.02 N ATOM 1430 CZ ARG A 91 4.080 -17.393 5.523 1.00 3.89 C ATOM 1431 NH1 ARG A 91 4.815 -17.865 4.536 1.00 4.37 N ATOM 1432 NH2 ARG A 91 4.682 -16.857 6.556 1.00 4.88 N ATOM 0 H ARG A 91 -0.972 -16.036 1.489 1.00 0.83 H new ATOM 0 HA ARG A 91 -0.902 -18.128 3.566 1.00 1.01 H new ATOM 0 HB2 ARG A 91 0.032 -15.239 3.321 1.00 1.37 H new ATOM 0 HB3 ARG A 91 0.007 -16.084 4.856 1.00 1.37 H new ATOM 0 HG2 ARG A 91 1.468 -17.235 2.453 1.00 1.45 H new ATOM 0 HG3 ARG A 91 2.229 -16.048 3.495 1.00 1.45 H new ATOM 0 HD2 ARG A 91 0.965 -18.376 4.886 1.00 2.11 H new ATOM 0 HD3 ARG A 91 2.370 -18.746 3.905 1.00 2.11 H new ATOM 0 HE ARG A 91 2.288 -17.119 6.375 1.00 3.02 H new ATOM 0 HH11 ARG A 91 4.367 -18.300 3.729 1.00 4.37 H new ATOM 0 HH12 ARG A 91 5.832 -17.795 4.579 1.00 4.37 H new ATOM 0 HH21 ARG A 91 4.133 -16.499 7.337 1.00 4.88 H new ATOM 0 HH22 ARG A 91 5.700 -16.798 6.579 1.00 4.88 H new ATOM 1446 N PRO A 92 -2.896 -17.182 4.996 1.00 0.94 N ATOM 1447 CA PRO A 92 -3.685 -16.445 5.966 1.00 1.04 C ATOM 1448 C PRO A 92 -2.711 -15.518 6.698 1.00 1.13 C ATOM 1449 O PRO A 92 -1.752 -15.997 7.309 1.00 1.43 O ATOM 1450 CB PRO A 92 -4.315 -17.510 6.865 1.00 1.23 C ATOM 1451 CG PRO A 92 -3.314 -18.669 6.822 1.00 1.28 C ATOM 1452 CD PRO A 92 -2.638 -18.539 5.455 1.00 1.13 C ATOM 0 HA PRO A 92 -4.481 -15.825 5.554 1.00 1.04 H new ATOM 0 HB2 PRO A 92 -4.456 -17.142 7.881 1.00 1.23 H new ATOM 0 HB3 PRO A 92 -5.295 -17.815 6.497 1.00 1.23 H new ATOM 0 HG2 PRO A 92 -2.588 -18.597 7.632 1.00 1.28 H new ATOM 0 HG3 PRO A 92 -3.815 -19.631 6.927 1.00 1.28 H new ATOM 0 HD2 PRO A 92 -1.567 -18.726 5.532 1.00 1.13 H new ATOM 0 HD3 PRO A 92 -3.039 -19.269 4.752 1.00 1.13 H new ATOM 1460 N LEU A 93 -2.919 -14.206 6.580 1.00 1.19 N ATOM 1461 CA LEU A 93 -2.064 -13.143 7.118 1.00 1.43 C ATOM 1462 C LEU A 93 -2.310 -13.026 8.624 1.00 1.41 C ATOM 1463 O LEU A 93 -3.342 -12.505 9.059 1.00 1.85 O ATOM 1464 CB LEU A 93 -2.383 -11.808 6.397 1.00 1.93 C ATOM 1465 CG LEU A 93 -1.721 -11.540 5.027 1.00 1.37 C ATOM 1466 CD1 LEU A 93 -0.284 -11.038 5.174 1.00 1.91 C ATOM 1467 CD2 LEU A 93 -1.703 -12.754 4.096 1.00 1.32 C ATOM 0 H LEU A 93 -3.728 -13.836 6.082 1.00 1.19 H new ATOM 0 HA LEU A 93 -1.013 -13.378 6.950 1.00 1.43 H new ATOM 0 HB2 LEU A 93 -3.463 -11.753 6.261 1.00 1.93 H new ATOM 0 HB3 LEU A 93 -2.104 -10.994 7.066 1.00 1.93 H new ATOM 0 HG LEU A 93 -2.350 -10.772 4.577 1.00 1.37 H new ATOM 0 HD11 LEU A 93 0.143 -10.863 4.187 1.00 1.91 H new ATOM 0 HD12 LEU A 93 -0.280 -10.107 5.742 1.00 1.91 H new ATOM 0 HD13 LEU A 93 0.311 -11.786 5.699 1.00 1.91 H new ATOM 0 HD21 LEU A 93 -1.222 -12.484 3.156 1.00 1.32 H new ATOM 0 HD22 LEU A 93 -1.149 -13.566 4.567 1.00 1.32 H new ATOM 0 HD23 LEU A 93 -2.725 -13.078 3.901 1.00 1.32 H new ATOM 1479 N LYS A 94 -1.359 -13.517 9.421 1.00 1.17 N ATOM 1480 CA LYS A 94 -1.384 -13.459 10.883 1.00 1.15 C ATOM 1481 C LYS A 94 -0.536 -12.299 11.412 1.00 1.07 C ATOM 1482 O LYS A 94 0.220 -11.668 10.690 1.00 1.67 O ATOM 1483 CB LYS A 94 -0.849 -14.774 11.451 1.00 1.43 C ATOM 1484 CG LYS A 94 -1.741 -15.978 11.130 1.00 1.89 C ATOM 1485 CD LYS A 94 -0.948 -17.260 11.413 1.00 2.00 C ATOM 1486 CE LYS A 94 -0.757 -18.121 10.152 1.00 2.85 C ATOM 1487 NZ LYS A 94 -0.046 -17.405 9.060 1.00 3.57 N ATOM 0 H LYS A 94 -0.526 -13.979 9.056 1.00 1.17 H new ATOM 0 HA LYS A 94 -2.415 -13.300 11.199 1.00 1.15 H new ATOM 0 HB2 LYS A 94 0.150 -14.954 11.054 1.00 1.43 H new ATOM 0 HB3 LYS A 94 -0.750 -14.681 12.533 1.00 1.43 H new ATOM 0 HG2 LYS A 94 -2.646 -15.951 11.736 1.00 1.89 H new ATOM 0 HG3 LYS A 94 -2.055 -15.949 10.087 1.00 1.89 H new ATOM 0 HD2 LYS A 94 0.028 -16.998 11.822 1.00 2.00 H new ATOM 0 HD3 LYS A 94 -1.466 -17.844 12.174 1.00 2.00 H new ATOM 0 HE2 LYS A 94 -0.198 -19.019 10.414 1.00 2.85 H new ATOM 0 HE3 LYS A 94 -1.732 -18.447 9.790 1.00 2.85 H new ATOM 0 HZ1 LYS A 94 -0.644 -17.388 8.209 1.00 3.57 H new ATOM 0 HZ2 LYS A 94 0.158 -16.430 9.359 1.00 3.57 H new ATOM 0 HZ3 LYS A 94 0.846 -17.895 8.847 1.00 3.57 H new ATOM 1501 N ALA A 95 -0.616 -12.046 12.714 1.00 0.94 N ATOM 1502 CA ALA A 95 0.181 -10.996 13.344 1.00 0.96 C ATOM 1503 C ALA A 95 1.576 -11.553 13.646 1.00 0.96 C ATOM 1504 O ALA A 95 1.684 -12.655 14.184 1.00 1.05 O ATOM 1505 CB ALA A 95 -0.554 -10.496 14.592 1.00 1.09 C ATOM 0 H ALA A 95 -1.225 -12.554 13.356 1.00 0.94 H new ATOM 0 HA ALA A 95 0.311 -10.138 12.685 1.00 0.96 H new ATOM 0 HB1 ALA A 95 0.033 -9.712 15.070 1.00 1.09 H new ATOM 0 HB2 ALA A 95 -1.527 -10.098 14.306 1.00 1.09 H new ATOM 0 HB3 ALA A 95 -0.691 -11.323 15.289 1.00 1.09 H new ATOM 1511 N GLY A 96 2.622 -10.814 13.278 1.00 1.01 N ATOM 1512 CA GLY A 96 4.017 -11.199 13.529 1.00 1.14 C ATOM 1513 C GLY A 96 4.630 -12.107 12.458 1.00 1.10 C ATOM 1514 O GLY A 96 5.640 -12.744 12.733 1.00 1.34 O ATOM 0 H GLY A 96 2.528 -9.922 12.792 1.00 1.01 H new ATOM 0 HA2 GLY A 96 4.621 -10.295 13.609 1.00 1.14 H new ATOM 0 HA3 GLY A 96 4.073 -11.706 14.492 1.00 1.14 H new ATOM 1518 N GLU A 97 4.046 -12.162 11.259 1.00 1.00 N ATOM 1519 CA GLU A 97 4.732 -12.667 10.060 1.00 0.99 C ATOM 1520 C GLU A 97 5.454 -11.516 9.341 1.00 0.89 C ATOM 1521 O GLU A 97 5.411 -10.365 9.779 1.00 0.81 O ATOM 1522 CB GLU A 97 3.740 -13.371 9.116 1.00 1.02 C ATOM 1523 CG GLU A 97 3.140 -14.635 9.741 1.00 1.24 C ATOM 1524 CD GLU A 97 2.195 -15.370 8.793 1.00 1.30 C ATOM 1525 OE1 GLU A 97 1.023 -14.966 8.678 1.00 2.39 O ATOM 1526 OE2 GLU A 97 2.556 -16.439 8.242 1.00 1.87 O ATOM 0 H GLU A 97 3.087 -11.859 11.088 1.00 1.00 H new ATOM 0 HA GLU A 97 5.475 -13.403 10.368 1.00 0.99 H new ATOM 0 HB2 GLU A 97 2.937 -12.681 8.856 1.00 1.02 H new ATOM 0 HB3 GLU A 97 4.248 -13.633 8.188 1.00 1.02 H new ATOM 0 HG2 GLU A 97 3.946 -15.307 10.037 1.00 1.24 H new ATOM 0 HG3 GLU A 97 2.600 -14.365 10.649 1.00 1.24 H new ATOM 1533 N GLU A 98 6.056 -11.814 8.193 1.00 0.94 N ATOM 1534 CA GLU A 98 6.709 -10.914 7.272 1.00 0.86 C ATOM 1535 C GLU A 98 6.323 -11.395 5.874 1.00 0.89 C ATOM 1536 O GLU A 98 6.108 -12.586 5.640 1.00 1.11 O ATOM 1537 CB GLU A 98 8.234 -10.918 7.435 1.00 1.00 C ATOM 1538 CG GLU A 98 8.693 -10.357 8.781 1.00 1.82 C ATOM 1539 CD GLU A 98 10.212 -10.256 8.805 1.00 2.06 C ATOM 1540 OE1 GLU A 98 10.849 -11.330 8.849 1.00 2.74 O ATOM 1541 OE2 GLU A 98 10.708 -9.109 8.735 1.00 2.79 O ATOM 0 H GLU A 98 6.098 -12.778 7.863 1.00 0.94 H new ATOM 0 HA GLU A 98 6.393 -9.888 7.458 1.00 0.86 H new ATOM 0 HB2 GLU A 98 8.602 -11.938 7.328 1.00 1.00 H new ATOM 0 HB3 GLU A 98 8.681 -10.332 6.632 1.00 1.00 H new ATOM 0 HG2 GLU A 98 8.251 -9.374 8.946 1.00 1.82 H new ATOM 0 HG3 GLU A 98 8.349 -11.001 9.590 1.00 1.82 H new ATOM 1548 N VAL A 99 6.184 -10.433 4.977 1.00 0.72 N ATOM 1549 CA VAL A 99 5.712 -10.562 3.593 1.00 0.72 C ATOM 1550 C VAL A 99 6.443 -9.539 2.724 1.00 0.56 C ATOM 1551 O VAL A 99 6.793 -8.455 3.189 1.00 0.56 O ATOM 1552 CB VAL A 99 4.184 -10.332 3.515 1.00 0.83 C ATOM 1553 CG1 VAL A 99 3.643 -10.198 2.081 1.00 1.13 C ATOM 1554 CG2 VAL A 99 3.414 -11.466 4.214 1.00 1.03 C ATOM 0 H VAL A 99 6.413 -9.466 5.207 1.00 0.72 H new ATOM 0 HA VAL A 99 5.921 -11.569 3.233 1.00 0.72 H new ATOM 0 HB VAL A 99 4.023 -9.382 4.024 1.00 0.83 H new ATOM 0 HG11 VAL A 99 2.565 -10.039 2.112 1.00 1.13 H new ATOM 0 HG12 VAL A 99 4.121 -9.350 1.590 1.00 1.13 H new ATOM 0 HG13 VAL A 99 3.859 -11.110 1.524 1.00 1.13 H new ATOM 0 HG21 VAL A 99 2.343 -11.276 4.143 1.00 1.03 H new ATOM 0 HG22 VAL A 99 3.647 -12.415 3.732 1.00 1.03 H new ATOM 0 HG23 VAL A 99 3.705 -11.511 5.263 1.00 1.03 H new ATOM 1564 N GLU A 100 6.648 -9.882 1.453 1.00 0.63 N ATOM 1565 CA GLU A 100 7.242 -8.997 0.451 1.00 0.58 C ATOM 1566 C GLU A 100 6.247 -8.565 -0.637 1.00 0.59 C ATOM 1567 O GLU A 100 5.305 -9.288 -0.985 1.00 0.61 O ATOM 1568 CB GLU A 100 8.531 -9.601 -0.131 1.00 0.68 C ATOM 1569 CG GLU A 100 8.386 -10.939 -0.862 1.00 1.38 C ATOM 1570 CD GLU A 100 9.683 -11.297 -1.592 1.00 1.36 C ATOM 1571 OE1 GLU A 100 10.793 -10.941 -1.131 1.00 2.14 O ATOM 1572 OE2 GLU A 100 9.616 -11.863 -2.702 1.00 2.10 O ATOM 0 H GLU A 100 6.401 -10.800 1.084 1.00 0.63 H new ATOM 0 HA GLU A 100 7.519 -8.077 0.967 1.00 0.58 H new ATOM 0 HB2 GLU A 100 8.965 -8.879 -0.823 1.00 0.68 H new ATOM 0 HB3 GLU A 100 9.245 -9.732 0.682 1.00 0.68 H new ATOM 0 HG2 GLU A 100 8.135 -11.724 -0.149 1.00 1.38 H new ATOM 0 HG3 GLU A 100 7.564 -10.882 -1.576 1.00 1.38 H new ATOM 1579 N LEU A 101 6.487 -7.361 -1.165 1.00 0.68 N ATOM 1580 CA LEU A 101 5.777 -6.727 -2.278 1.00 0.69 C ATOM 1581 C LEU A 101 6.794 -6.224 -3.318 1.00 0.68 C ATOM 1582 O LEU A 101 7.817 -5.635 -2.954 1.00 0.69 O ATOM 1583 CB LEU A 101 4.931 -5.525 -1.788 1.00 0.76 C ATOM 1584 CG LEU A 101 3.478 -5.800 -1.340 1.00 0.89 C ATOM 1585 CD1 LEU A 101 3.356 -6.561 -0.012 1.00 1.52 C ATOM 1586 CD2 LEU A 101 2.732 -4.466 -1.191 1.00 1.69 C ATOM 0 H LEU A 101 7.231 -6.765 -0.802 1.00 0.68 H new ATOM 0 HA LEU A 101 5.113 -7.469 -2.722 1.00 0.69 H new ATOM 0 HB2 LEU A 101 5.457 -5.064 -0.952 1.00 0.76 H new ATOM 0 HB3 LEU A 101 4.900 -4.788 -2.591 1.00 0.76 H new ATOM 0 HG LEU A 101 3.046 -6.435 -2.114 1.00 0.89 H new ATOM 0 HD11 LEU A 101 2.303 -6.711 0.226 1.00 1.52 H new ATOM 0 HD12 LEU A 101 3.849 -7.529 -0.101 1.00 1.52 H new ATOM 0 HD13 LEU A 101 3.829 -5.984 0.783 1.00 1.52 H new ATOM 0 HD21 LEU A 101 1.706 -4.656 -0.875 1.00 1.69 H new ATOM 0 HD22 LEU A 101 3.233 -3.850 -0.444 1.00 1.69 H new ATOM 0 HD23 LEU A 101 2.726 -3.944 -2.148 1.00 1.69 H new ATOM 1598 N ASP A 102 6.466 -6.371 -4.603 1.00 0.74 N ATOM 1599 CA ASP A 102 7.077 -5.613 -5.703 1.00 0.65 C ATOM 1600 C ASP A 102 6.326 -4.278 -5.842 1.00 0.58 C ATOM 1601 O ASP A 102 5.098 -4.312 -5.915 1.00 0.73 O ATOM 1602 CB ASP A 102 6.917 -6.373 -7.036 1.00 0.77 C ATOM 1603 CG ASP A 102 7.541 -7.773 -7.124 1.00 1.12 C ATOM 1604 OD1 ASP A 102 8.613 -7.994 -6.528 1.00 1.61 O ATOM 1605 OD2 ASP A 102 6.935 -8.616 -7.834 1.00 2.20 O ATOM 0 H ASP A 102 5.755 -7.032 -4.917 1.00 0.74 H new ATOM 0 HA ASP A 102 8.135 -5.465 -5.487 1.00 0.65 H new ATOM 0 HB2 ASP A 102 5.852 -6.464 -7.247 1.00 0.77 H new ATOM 0 HB3 ASP A 102 7.348 -5.761 -7.828 1.00 0.77 H new ATOM 1610 N LEU A 103 6.986 -3.114 -5.920 1.00 0.52 N ATOM 1611 CA LEU A 103 6.362 -1.828 -6.171 1.00 0.52 C ATOM 1612 C LEU A 103 6.646 -1.452 -7.628 1.00 0.44 C ATOM 1613 O LEU A 103 7.783 -1.135 -7.986 1.00 0.62 O ATOM 1614 CB LEU A 103 7.007 -0.796 -5.240 1.00 0.61 C ATOM 1615 CG LEU A 103 6.803 -0.907 -3.718 1.00 0.72 C ATOM 1616 CD1 LEU A 103 6.799 -2.291 -3.053 1.00 1.18 C ATOM 1617 CD2 LEU A 103 7.895 -0.056 -3.055 1.00 1.30 C ATOM 0 H LEU A 103 7.998 -3.050 -5.805 1.00 0.52 H new ATOM 0 HA LEU A 103 5.287 -1.862 -5.994 1.00 0.52 H new ATOM 0 HB2 LEU A 103 8.081 -0.816 -5.427 1.00 0.61 H new ATOM 0 HB3 LEU A 103 6.648 0.187 -5.546 1.00 0.61 H new ATOM 0 HG LEU A 103 5.777 -0.572 -3.567 1.00 0.72 H new ATOM 0 HD11 LEU A 103 6.643 -2.179 -1.980 1.00 1.18 H new ATOM 0 HD12 LEU A 103 5.996 -2.895 -3.475 1.00 1.18 H new ATOM 0 HD13 LEU A 103 7.755 -2.783 -3.231 1.00 1.18 H new ATOM 0 HD21 LEU A 103 7.788 -0.106 -1.971 1.00 1.30 H new ATOM 0 HD22 LEU A 103 8.876 -0.436 -3.340 1.00 1.30 H new ATOM 0 HD23 LEU A 103 7.798 0.979 -3.382 1.00 1.30 H new ATOM 1629 N LEU A 104 5.618 -1.477 -8.473 1.00 0.51 N ATOM 1630 CA LEU A 104 5.747 -1.212 -9.905 1.00 0.46 C ATOM 1631 C LEU A 104 5.822 0.302 -10.114 1.00 0.48 C ATOM 1632 O LEU A 104 4.865 1.026 -9.822 1.00 0.46 O ATOM 1633 CB LEU A 104 4.572 -1.864 -10.664 1.00 0.44 C ATOM 1634 CG LEU A 104 4.365 -3.372 -10.387 1.00 0.51 C ATOM 1635 CD1 LEU A 104 3.165 -3.883 -11.197 1.00 0.69 C ATOM 1636 CD2 LEU A 104 5.610 -4.211 -10.716 1.00 0.59 C ATOM 0 H LEU A 104 4.663 -1.684 -8.181 1.00 0.51 H new ATOM 0 HA LEU A 104 6.660 -1.652 -10.306 1.00 0.46 H new ATOM 0 HB2 LEU A 104 3.655 -1.334 -10.406 1.00 0.44 H new ATOM 0 HB3 LEU A 104 4.730 -1.726 -11.734 1.00 0.44 H new ATOM 0 HG LEU A 104 4.177 -3.483 -9.319 1.00 0.51 H new ATOM 0 HD11 LEU A 104 3.020 -4.945 -11.001 1.00 0.69 H new ATOM 0 HD12 LEU A 104 2.269 -3.335 -10.906 1.00 0.69 H new ATOM 0 HD13 LEU A 104 3.353 -3.732 -12.260 1.00 0.69 H new ATOM 0 HD21 LEU A 104 5.408 -5.261 -10.503 1.00 0.59 H new ATOM 0 HD22 LEU A 104 5.858 -4.096 -11.771 1.00 0.59 H new ATOM 0 HD23 LEU A 104 6.448 -3.872 -10.108 1.00 0.59 H new ATOM 1648 N PHE A 105 6.970 0.799 -10.584 1.00 0.60 N ATOM 1649 CA PHE A 105 7.258 2.227 -10.749 1.00 0.69 C ATOM 1650 C PHE A 105 7.202 2.624 -12.245 1.00 0.67 C ATOM 1651 O PHE A 105 7.679 1.901 -13.120 1.00 0.76 O ATOM 1652 CB PHE A 105 8.648 2.535 -10.166 1.00 0.84 C ATOM 1653 CG PHE A 105 8.845 2.609 -8.659 1.00 0.83 C ATOM 1654 CD1 PHE A 105 7.857 2.245 -7.718 1.00 1.73 C ATOM 1655 CD2 PHE A 105 10.109 3.017 -8.185 1.00 2.06 C ATOM 1656 CE1 PHE A 105 8.148 2.308 -6.349 1.00 1.67 C ATOM 1657 CE2 PHE A 105 10.422 2.965 -6.822 1.00 2.19 C ATOM 1658 CZ PHE A 105 9.435 2.619 -5.897 1.00 1.05 C ATOM 0 H PHE A 105 7.747 0.202 -10.868 1.00 0.60 H new ATOM 0 HA PHE A 105 6.505 2.808 -10.216 1.00 0.69 H new ATOM 0 HB2 PHE A 105 9.333 1.777 -10.545 1.00 0.84 H new ATOM 0 HB3 PHE A 105 8.969 3.490 -10.581 1.00 0.84 H new ATOM 0 HD1 PHE A 105 6.883 1.920 -8.052 1.00 1.73 H new ATOM 0 HD2 PHE A 105 10.848 3.376 -8.886 1.00 2.06 H new ATOM 0 HE1 PHE A 105 7.366 2.113 -5.630 1.00 1.67 H new ATOM 0 HE2 PHE A 105 11.423 3.192 -6.487 1.00 2.19 H new ATOM 0 HZ PHE A 105 9.663 2.592 -4.842 1.00 1.05 H new ATOM 1668 N ALA A 106 6.656 3.803 -12.562 1.00 0.76 N ATOM 1669 CA ALA A 106 6.406 4.252 -13.932 1.00 0.73 C ATOM 1670 C ALA A 106 7.679 4.344 -14.800 1.00 1.52 C ATOM 1671 O ALA A 106 8.645 5.039 -14.462 1.00 2.39 O ATOM 1672 CB ALA A 106 5.674 5.599 -13.896 1.00 1.20 C ATOM 0 H ALA A 106 6.371 4.484 -11.858 1.00 0.76 H new ATOM 0 HA ALA A 106 5.784 3.495 -14.409 1.00 0.73 H new ATOM 0 HB1 ALA A 106 5.485 5.938 -14.915 1.00 1.20 H new ATOM 0 HB2 ALA A 106 4.726 5.484 -13.370 1.00 1.20 H new ATOM 0 HB3 ALA A 106 6.290 6.334 -13.377 1.00 1.20 H new ATOM 1678 N GLY A 107 7.638 3.685 -15.963 1.00 2.10 N ATOM 1679 CA GLY A 107 8.678 3.743 -16.994 1.00 3.11 C ATOM 1680 C GLY A 107 9.908 2.911 -16.639 1.00 2.90 C ATOM 1681 O GLY A 107 10.932 3.476 -16.265 1.00 4.01 O ATOM 0 H GLY A 107 6.858 3.080 -16.220 1.00 2.10 H new ATOM 0 HA2 GLY A 107 8.266 3.390 -17.939 1.00 3.11 H new ATOM 0 HA3 GLY A 107 8.977 4.780 -17.144 1.00 3.11 H new ATOM 1685 N GLY A 108 9.795 1.583 -16.774 1.00 1.81 N ATOM 1686 CA GLY A 108 10.932 0.649 -16.757 1.00 1.90 C ATOM 1687 C GLY A 108 11.538 0.375 -15.379 1.00 1.56 C ATOM 1688 O GLY A 108 12.714 0.037 -15.304 1.00 2.00 O ATOM 0 H GLY A 108 8.896 1.118 -16.900 1.00 1.81 H new ATOM 0 HA2 GLY A 108 10.608 -0.299 -17.187 1.00 1.90 H new ATOM 0 HA3 GLY A 108 11.713 1.043 -17.407 1.00 1.90 H new ATOM 1692 N LYS A 109 10.784 0.558 -14.288 1.00 0.96 N ATOM 1693 CA LYS A 109 11.312 0.487 -12.918 1.00 0.76 C ATOM 1694 C LYS A 109 10.460 -0.410 -12.014 1.00 0.64 C ATOM 1695 O LYS A 109 9.238 -0.434 -12.125 1.00 0.92 O ATOM 1696 CB LYS A 109 11.326 1.903 -12.322 1.00 0.75 C ATOM 1697 CG LYS A 109 12.291 2.873 -13.011 1.00 1.16 C ATOM 1698 CD LYS A 109 11.755 4.310 -12.906 1.00 1.55 C ATOM 1699 CE LYS A 109 12.275 5.187 -14.051 1.00 2.26 C ATOM 1700 NZ LYS A 109 11.257 6.194 -14.434 1.00 3.46 N ATOM 0 H LYS A 109 9.785 0.761 -14.330 1.00 0.96 H new ATOM 0 HA LYS A 109 12.314 0.062 -12.969 1.00 0.76 H new ATOM 0 HB2 LYS A 109 10.318 2.315 -12.374 1.00 0.75 H new ATOM 0 HB3 LYS A 109 11.590 1.837 -11.266 1.00 0.75 H new ATOM 0 HG2 LYS A 109 13.276 2.809 -12.549 1.00 1.16 H new ATOM 0 HG3 LYS A 109 12.412 2.597 -14.058 1.00 1.16 H new ATOM 0 HD2 LYS A 109 10.665 4.295 -12.923 1.00 1.55 H new ATOM 0 HD3 LYS A 109 12.053 4.742 -11.951 1.00 1.55 H new ATOM 0 HE2 LYS A 109 13.194 5.687 -13.746 1.00 2.26 H new ATOM 0 HE3 LYS A 109 12.522 4.565 -14.911 1.00 2.26 H new ATOM 0 HZ1 LYS A 109 11.487 6.581 -15.371 1.00 3.46 H new ATOM 0 HZ2 LYS A 109 10.319 5.745 -14.466 1.00 3.46 H new ATOM 0 HZ3 LYS A 109 11.249 6.963 -13.734 1.00 3.46 H new ATOM 1714 N VAL A 110 11.109 -1.030 -11.036 1.00 0.86 N ATOM 1715 CA VAL A 110 10.474 -1.725 -9.904 1.00 0.93 C ATOM 1716 C VAL A 110 11.399 -1.616 -8.689 1.00 1.03 C ATOM 1717 O VAL A 110 12.620 -1.609 -8.854 1.00 1.10 O ATOM 1718 CB VAL A 110 10.184 -3.227 -10.213 1.00 1.00 C ATOM 1719 CG1 VAL A 110 9.547 -3.992 -9.036 1.00 2.23 C ATOM 1720 CG2 VAL A 110 9.278 -3.431 -11.441 1.00 1.70 C ATOM 0 H VAL A 110 12.128 -1.069 -11.001 1.00 0.86 H new ATOM 0 HA VAL A 110 9.512 -1.251 -9.708 1.00 0.93 H new ATOM 0 HB VAL A 110 11.176 -3.633 -10.412 1.00 1.00 H new ATOM 0 HG11 VAL A 110 9.375 -5.028 -9.326 1.00 2.23 H new ATOM 0 HG12 VAL A 110 10.217 -3.962 -8.177 1.00 2.23 H new ATOM 0 HG13 VAL A 110 8.597 -3.527 -8.771 1.00 2.23 H new ATOM 0 HG21 VAL A 110 9.116 -4.497 -11.600 1.00 1.70 H new ATOM 0 HG22 VAL A 110 8.320 -2.940 -11.272 1.00 1.70 H new ATOM 0 HG23 VAL A 110 9.756 -3.001 -12.321 1.00 1.70 H new ATOM 1730 N LEU A 111 10.815 -1.550 -7.488 1.00 1.07 N ATOM 1731 CA LEU A 111 11.513 -1.692 -6.209 1.00 1.04 C ATOM 1732 C LEU A 111 10.824 -2.787 -5.383 1.00 0.78 C ATOM 1733 O LEU A 111 9.678 -2.616 -4.983 1.00 0.98 O ATOM 1734 CB LEU A 111 11.469 -0.323 -5.499 1.00 1.27 C ATOM 1735 CG LEU A 111 12.117 -0.288 -4.100 1.00 1.77 C ATOM 1736 CD1 LEU A 111 13.623 -0.580 -4.164 1.00 2.12 C ATOM 1737 CD2 LEU A 111 11.881 1.094 -3.474 1.00 2.40 C ATOM 0 H LEU A 111 9.813 -1.391 -7.377 1.00 1.07 H new ATOM 0 HA LEU A 111 12.553 -1.987 -6.345 1.00 1.04 H new ATOM 0 HB2 LEU A 111 11.967 0.412 -6.131 1.00 1.27 H new ATOM 0 HB3 LEU A 111 10.428 -0.012 -5.408 1.00 1.27 H new ATOM 0 HG LEU A 111 11.657 -1.064 -3.489 1.00 1.77 H new ATOM 0 HD11 LEU A 111 14.043 -0.546 -3.159 1.00 2.12 H new ATOM 0 HD12 LEU A 111 13.784 -1.570 -4.592 1.00 2.12 H new ATOM 0 HD13 LEU A 111 14.113 0.168 -4.787 1.00 2.12 H new ATOM 0 HD21 LEU A 111 12.336 1.128 -2.484 1.00 2.40 H new ATOM 0 HD22 LEU A 111 12.329 1.861 -4.106 1.00 2.40 H new ATOM 0 HD23 LEU A 111 10.810 1.276 -3.387 1.00 2.40 H new ATOM 1749 N LYS A 112 11.480 -3.922 -5.114 1.00 0.72 N ATOM 1750 CA LYS A 112 10.912 -4.927 -4.200 1.00 0.77 C ATOM 1751 C LYS A 112 11.220 -4.558 -2.740 1.00 0.82 C ATOM 1752 O LYS A 112 12.365 -4.237 -2.417 1.00 1.00 O ATOM 1753 CB LYS A 112 11.371 -6.354 -4.563 1.00 1.01 C ATOM 1754 CG LYS A 112 10.475 -7.385 -3.848 1.00 1.44 C ATOM 1755 CD LYS A 112 10.722 -8.849 -4.220 1.00 1.49 C ATOM 1756 CE LYS A 112 12.032 -9.398 -3.646 1.00 1.60 C ATOM 1757 NZ LYS A 112 12.004 -10.877 -3.609 1.00 2.05 N ATOM 0 H LYS A 112 12.389 -4.168 -5.507 1.00 0.72 H new ATOM 0 HA LYS A 112 9.828 -4.924 -4.315 1.00 0.77 H new ATOM 0 HB2 LYS A 112 11.320 -6.500 -5.642 1.00 1.01 H new ATOM 0 HB3 LYS A 112 12.411 -6.497 -4.271 1.00 1.01 H new ATOM 0 HG2 LYS A 112 10.612 -7.274 -2.772 1.00 1.44 H new ATOM 0 HG3 LYS A 112 9.434 -7.145 -4.063 1.00 1.44 H new ATOM 0 HD2 LYS A 112 9.891 -9.455 -3.859 1.00 1.49 H new ATOM 0 HD3 LYS A 112 10.739 -8.945 -5.306 1.00 1.49 H new ATOM 0 HE2 LYS A 112 12.872 -9.060 -4.253 1.00 1.60 H new ATOM 0 HE3 LYS A 112 12.187 -9.006 -2.641 1.00 1.60 H new ATOM 0 HZ1 LYS A 112 12.396 -11.209 -2.705 1.00 2.05 H new ATOM 0 HZ2 LYS A 112 11.023 -11.208 -3.703 1.00 2.05 H new ATOM 0 HZ3 LYS A 112 12.573 -11.255 -4.393 1.00 2.05 H new ATOM 1771 N VAL A 113 10.217 -4.626 -1.866 1.00 0.79 N ATOM 1772 CA VAL A 113 10.327 -4.327 -0.425 1.00 0.88 C ATOM 1773 C VAL A 113 9.779 -5.510 0.377 1.00 0.82 C ATOM 1774 O VAL A 113 9.042 -6.345 -0.138 1.00 0.82 O ATOM 1775 CB VAL A 113 9.613 -3.005 -0.039 1.00 1.04 C ATOM 1776 CG1 VAL A 113 9.831 -2.551 1.416 1.00 1.72 C ATOM 1777 CG2 VAL A 113 10.076 -1.843 -0.934 1.00 1.67 C ATOM 0 H VAL A 113 9.274 -4.898 -2.142 1.00 0.79 H new ATOM 0 HA VAL A 113 11.380 -4.182 -0.185 1.00 0.88 H new ATOM 0 HB VAL A 113 8.556 -3.237 -0.173 1.00 1.04 H new ATOM 0 HG11 VAL A 113 9.294 -1.619 1.591 1.00 1.72 H new ATOM 0 HG12 VAL A 113 9.459 -3.317 2.096 1.00 1.72 H new ATOM 0 HG13 VAL A 113 10.895 -2.395 1.593 1.00 1.72 H new ATOM 0 HG21 VAL A 113 9.559 -0.929 -0.641 1.00 1.67 H new ATOM 0 HG22 VAL A 113 11.151 -1.703 -0.822 1.00 1.67 H new ATOM 0 HG23 VAL A 113 9.846 -2.072 -1.975 1.00 1.67 H new ATOM 1787 N VAL A 114 10.169 -5.559 1.644 1.00 0.87 N ATOM 1788 CA VAL A 114 9.853 -6.600 2.628 1.00 0.80 C ATOM 1789 C VAL A 114 9.412 -5.900 3.917 1.00 0.73 C ATOM 1790 O VAL A 114 9.982 -4.871 4.283 1.00 0.90 O ATOM 1791 CB VAL A 114 11.057 -7.533 2.910 1.00 1.05 C ATOM 1792 CG1 VAL A 114 10.599 -8.777 3.690 1.00 1.90 C ATOM 1793 CG2 VAL A 114 11.781 -7.983 1.625 1.00 2.10 C ATOM 0 H VAL A 114 10.754 -4.825 2.044 1.00 0.87 H new ATOM 0 HA VAL A 114 9.061 -7.235 2.231 1.00 0.80 H new ATOM 0 HB VAL A 114 11.763 -6.952 3.503 1.00 1.05 H new ATOM 0 HG11 VAL A 114 11.456 -9.423 3.881 1.00 1.90 H new ATOM 0 HG12 VAL A 114 10.158 -8.470 4.638 1.00 1.90 H new ATOM 0 HG13 VAL A 114 9.858 -9.321 3.105 1.00 1.90 H new ATOM 0 HG21 VAL A 114 12.615 -8.634 1.886 1.00 2.10 H new ATOM 0 HG22 VAL A 114 11.084 -8.525 0.985 1.00 2.10 H new ATOM 0 HG23 VAL A 114 12.156 -7.108 1.094 1.00 2.10 H new ATOM 1803 N LEU A 115 8.360 -6.415 4.558 1.00 0.67 N ATOM 1804 CA LEU A 115 7.660 -5.767 5.664 1.00 0.78 C ATOM 1805 C LEU A 115 6.919 -6.791 6.551 1.00 0.66 C ATOM 1806 O LEU A 115 6.480 -7.832 6.047 1.00 0.66 O ATOM 1807 CB LEU A 115 6.727 -4.639 5.168 1.00 1.08 C ATOM 1808 CG LEU A 115 5.756 -4.972 4.014 1.00 1.14 C ATOM 1809 CD1 LEU A 115 4.612 -3.950 4.035 1.00 2.04 C ATOM 1810 CD2 LEU A 115 6.435 -4.890 2.638 1.00 1.83 C ATOM 0 H LEU A 115 7.962 -7.321 4.313 1.00 0.67 H new ATOM 0 HA LEU A 115 8.415 -5.296 6.293 1.00 0.78 H new ATOM 0 HB2 LEU A 115 6.136 -4.294 6.016 1.00 1.08 H new ATOM 0 HB3 LEU A 115 7.350 -3.802 4.853 1.00 1.08 H new ATOM 0 HG LEU A 115 5.402 -5.992 4.161 1.00 1.14 H new ATOM 0 HD11 LEU A 115 3.914 -4.168 3.226 1.00 2.04 H new ATOM 0 HD12 LEU A 115 4.090 -4.008 4.990 1.00 2.04 H new ATOM 0 HD13 LEU A 115 5.018 -2.947 3.903 1.00 2.04 H new ATOM 0 HD21 LEU A 115 5.711 -5.133 1.860 1.00 1.83 H new ATOM 0 HD22 LEU A 115 6.814 -3.881 2.479 1.00 1.83 H new ATOM 0 HD23 LEU A 115 7.262 -5.599 2.598 1.00 1.83 H new ATOM 1822 N PRO A 116 6.747 -6.501 7.855 1.00 0.68 N ATOM 1823 CA PRO A 116 5.965 -7.329 8.760 1.00 0.71 C ATOM 1824 C PRO A 116 4.476 -7.335 8.405 1.00 0.72 C ATOM 1825 O PRO A 116 3.969 -6.482 7.679 1.00 0.83 O ATOM 1826 CB PRO A 116 6.222 -6.773 10.166 1.00 0.85 C ATOM 1827 CG PRO A 116 6.570 -5.310 9.904 1.00 0.81 C ATOM 1828 CD PRO A 116 7.338 -5.390 8.590 1.00 0.77 C ATOM 0 HA PRO A 116 6.266 -8.374 8.689 1.00 0.71 H new ATOM 0 HB2 PRO A 116 5.344 -6.870 10.804 1.00 0.85 H new ATOM 0 HB3 PRO A 116 7.037 -7.298 10.664 1.00 0.85 H new ATOM 0 HG2 PRO A 116 5.678 -4.689 9.817 1.00 0.81 H new ATOM 0 HG3 PRO A 116 7.176 -4.886 10.705 1.00 0.81 H new ATOM 0 HD2 PRO A 116 7.252 -4.459 8.029 1.00 0.77 H new ATOM 0 HD3 PRO A 116 8.400 -5.559 8.767 1.00 0.77 H new ATOM 1836 N VAL A 117 3.762 -8.308 8.960 1.00 0.75 N ATOM 1837 CA VAL A 117 2.297 -8.298 9.039 1.00 0.80 C ATOM 1838 C VAL A 117 1.875 -7.862 10.451 1.00 0.91 C ATOM 1839 O VAL A 117 2.276 -8.491 11.433 1.00 0.92 O ATOM 1840 CB VAL A 117 1.708 -9.683 8.714 1.00 0.79 C ATOM 1841 CG1 VAL A 117 0.179 -9.588 8.560 1.00 0.91 C ATOM 1842 CG2 VAL A 117 2.303 -10.302 7.437 1.00 0.78 C ATOM 0 H VAL A 117 4.185 -9.139 9.374 1.00 0.75 H new ATOM 0 HA VAL A 117 1.911 -7.595 8.301 1.00 0.80 H new ATOM 0 HB VAL A 117 1.968 -10.333 9.550 1.00 0.79 H new ATOM 0 HG11 VAL A 117 -0.225 -10.574 8.330 1.00 0.91 H new ATOM 0 HG12 VAL A 117 -0.258 -9.224 9.490 1.00 0.91 H new ATOM 0 HG13 VAL A 117 -0.063 -8.899 7.751 1.00 0.91 H new ATOM 0 HG21 VAL A 117 1.849 -11.277 7.260 1.00 0.78 H new ATOM 0 HG22 VAL A 117 2.102 -9.649 6.588 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.380 -10.419 7.557 1.00 0.78 H new ATOM 1852 N GLU A 118 1.051 -6.812 10.565 1.00 1.10 N ATOM 1853 CA GLU A 118 0.441 -6.384 11.832 1.00 1.21 C ATOM 1854 C GLU A 118 -1.094 -6.421 11.762 1.00 1.38 C ATOM 1855 O GLU A 118 -1.722 -6.079 10.758 1.00 1.90 O ATOM 1856 CB GLU A 118 0.857 -4.965 12.268 1.00 1.47 C ATOM 1857 CG GLU A 118 2.335 -4.764 12.641 1.00 1.76 C ATOM 1858 CD GLU A 118 2.539 -3.426 13.371 1.00 2.67 C ATOM 1859 OE1 GLU A 118 1.865 -2.431 13.034 1.00 3.72 O ATOM 1860 OE2 GLU A 118 3.290 -3.364 14.366 1.00 3.15 O ATOM 0 H GLU A 118 0.786 -6.229 9.771 1.00 1.10 H new ATOM 0 HA GLU A 118 0.811 -7.097 12.568 1.00 1.21 H new ATOM 0 HB2 GLU A 118 0.613 -4.275 11.460 1.00 1.47 H new ATOM 0 HB3 GLU A 118 0.248 -4.680 13.126 1.00 1.47 H new ATOM 0 HG2 GLU A 118 2.669 -5.584 13.277 1.00 1.76 H new ATOM 0 HG3 GLU A 118 2.948 -4.789 11.740 1.00 1.76 H new