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= 0.0909 K(o=-0.028,f=-5.5!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.115 USER MOD Set 1.3: A 83 HIS : no HD1:sc=-0.00358 X(o=-0.028,f=-0.15) USER MOD Single : A 11 SER OG : rot 34:sc= 0.367 USER MOD Single : A 15 ASN : amide:sc= 0.00876 K(o=0.0088,f=-2.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -104:sc= 1.27 USER MOD Single : A 24 ASN : amide:sc= -0.0236 K(o=-0.024,f=-7.8!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.519 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0.983 (180deg=0.924) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -0.118! (180deg=-0.772!) USER MOD Single : A 59 MET CE :methyl -133:sc= 0 (180deg=-0.0395) USER MOD Single : A 61 MET CE :methyl -174:sc= 0 (180deg=-0.0869) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.826 (180deg=0.505!) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0.655 (180deg=0.412) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 178:sc= -0.602 (180deg=-0.607) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.44 (180deg=-1.64!) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 1.33 (180deg=-1.33!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= 0.873 (180deg=0.489) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.194 3.228 7.335 1.00 2.18 N ATOM 56 CA GLU A 5 9.184 1.855 6.823 1.00 1.23 C ATOM 57 C GLU A 5 7.736 1.325 6.852 1.00 0.97 C ATOM 58 O GLU A 5 6.890 1.900 7.537 1.00 1.25 O ATOM 59 CB GLU A 5 10.170 0.983 7.621 1.00 2.14 C ATOM 60 CG GLU A 5 10.596 -0.281 6.866 1.00 3.76 C ATOM 61 CD GLU A 5 11.768 -0.970 7.566 1.00 5.09 C ATOM 62 OE1 GLU A 5 12.915 -0.516 7.354 1.00 5.62 O ATOM 63 OE2 GLU A 5 11.496 -1.937 8.311 1.00 6.14 O ATOM 0 HA GLU A 5 9.524 1.824 5.788 1.00 1.23 H new ATOM 0 HB2 GLU A 5 11.055 1.572 7.862 1.00 2.14 H new ATOM 0 HB3 GLU A 5 9.711 0.697 8.567 1.00 2.14 H new ATOM 0 HG2 GLU A 5 9.753 -0.969 6.798 1.00 3.76 H new ATOM 0 HG3 GLU A 5 10.879 -0.021 5.846 1.00 3.76 H new ATOM 70 N GLY A 6 7.429 0.268 6.087 1.00 1.14 N ATOM 71 CA GLY A 6 6.056 -0.204 5.856 1.00 1.14 C ATOM 72 C GLY A 6 5.708 -1.529 6.533 1.00 1.01 C ATOM 73 O GLY A 6 6.586 -2.257 6.981 1.00 1.17 O ATOM 0 H GLY A 6 8.135 -0.290 5.606 1.00 1.14 H new ATOM 0 HA2 GLY A 6 5.361 0.559 6.206 1.00 1.14 H new ATOM 0 HA3 GLY A 6 5.899 -0.309 4.782 1.00 1.14 H new ATOM 77 N TRP A 7 4.419 -1.885 6.535 1.00 0.97 N ATOM 78 CA TRP A 7 3.887 -3.118 7.113 1.00 0.89 C ATOM 79 C TRP A 7 2.601 -3.606 6.415 1.00 0.74 C ATOM 80 O TRP A 7 1.997 -2.893 5.615 1.00 0.78 O ATOM 81 CB TRP A 7 3.702 -2.933 8.625 1.00 1.06 C ATOM 82 CG TRP A 7 2.640 -1.985 9.089 1.00 1.09 C ATOM 83 CD1 TRP A 7 1.431 -2.350 9.580 1.00 1.14 C ATOM 84 CD2 TRP A 7 2.699 -0.528 9.218 1.00 1.41 C ATOM 85 NE1 TRP A 7 0.743 -1.230 10.002 1.00 1.35 N ATOM 86 CE2 TRP A 7 1.494 -0.085 9.845 1.00 1.53 C ATOM 87 CE3 TRP A 7 3.661 0.461 8.915 1.00 1.84 C ATOM 88 CZ2 TRP A 7 1.278 1.256 10.194 1.00 1.96 C ATOM 89 CZ3 TRP A 7 3.436 1.816 9.218 1.00 2.28 C ATOM 90 CH2 TRP A 7 2.258 2.212 9.874 1.00 2.31 C ATOM 0 H TRP A 7 3.694 -1.300 6.119 1.00 0.97 H new ATOM 0 HA TRP A 7 4.613 -3.914 6.944 1.00 0.89 H new ATOM 0 HB2 TRP A 7 3.490 -3.911 9.058 1.00 1.06 H new ATOM 0 HB3 TRP A 7 4.653 -2.599 9.040 1.00 1.06 H new ATOM 0 HD1 TRP A 7 1.062 -3.363 9.633 1.00 1.14 H new ATOM 0 HE1 TRP A 7 -0.203 -1.248 10.383 1.00 1.35 H new ATOM 0 HE3 TRP A 7 4.587 0.171 8.441 1.00 1.84 H new ATOM 0 HZ2 TRP A 7 0.371 1.550 10.702 1.00 1.96 H new ATOM 0 HZ3 TRP A 7 4.173 2.557 8.945 1.00 2.28 H new ATOM 0 HH2 TRP A 7 2.106 3.250 10.132 1.00 2.31 H new ATOM 101 N VAL A 8 2.172 -4.832 6.711 1.00 0.76 N ATOM 102 CA VAL A 8 0.891 -5.420 6.285 1.00 0.80 C ATOM 103 C VAL A 8 -0.024 -5.486 7.511 1.00 0.94 C ATOM 104 O VAL A 8 0.465 -5.646 8.631 1.00 1.26 O ATOM 105 CB VAL A 8 1.081 -6.829 5.677 1.00 0.87 C ATOM 106 CG1 VAL A 8 -0.213 -7.388 5.056 1.00 1.03 C ATOM 107 CG2 VAL A 8 2.180 -6.850 4.599 1.00 0.89 C ATOM 0 H VAL A 8 2.726 -5.474 7.277 1.00 0.76 H new ATOM 0 HA VAL A 8 0.449 -4.799 5.506 1.00 0.80 H new ATOM 0 HB VAL A 8 1.375 -7.460 6.515 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -0.021 -8.379 4.645 1.00 1.03 H new ATOM 0 HG12 VAL A 8 -0.984 -7.457 5.823 1.00 1.03 H new ATOM 0 HG13 VAL A 8 -0.551 -6.724 4.260 1.00 1.03 H new ATOM 0 HG21 VAL A 8 2.279 -7.859 4.200 1.00 0.89 H new ATOM 0 HG22 VAL A 8 1.913 -6.166 3.794 1.00 0.89 H new ATOM 0 HG23 VAL A 8 3.128 -6.540 5.039 1.00 0.89 H new ATOM 117 N ARG A 9 -1.339 -5.346 7.291 1.00 0.95 N ATOM 118 CA ARG A 9 -2.369 -5.457 8.334 1.00 1.08 C ATOM 119 C ARG A 9 -2.532 -6.920 8.811 1.00 1.17 C ATOM 120 O ARG A 9 -1.553 -7.608 9.075 1.00 2.34 O ATOM 121 CB ARG A 9 -3.674 -4.812 7.821 1.00 1.30 C ATOM 122 CG ARG A 9 -3.545 -3.312 7.510 1.00 2.08 C ATOM 123 CD ARG A 9 -3.403 -2.465 8.778 1.00 3.27 C ATOM 124 NE ARG A 9 -3.308 -1.026 8.454 1.00 4.51 N ATOM 125 CZ ARG A 9 -3.790 -0.038 9.205 1.00 5.38 C ATOM 126 NH1 ARG A 9 -4.314 -0.266 10.385 1.00 5.64 N ATOM 127 NH2 ARG A 9 -3.753 1.201 8.759 1.00 6.62 N ATOM 0 H ARG A 9 -1.723 -5.149 6.367 1.00 0.95 H new ATOM 0 HA ARG A 9 -2.065 -4.908 9.225 1.00 1.08 H new ATOM 0 HB2 ARG A 9 -3.996 -5.334 6.920 1.00 1.30 H new ATOM 0 HB3 ARG A 9 -4.456 -4.953 8.568 1.00 1.30 H new ATOM 0 HG2 ARG A 9 -2.679 -3.150 6.868 1.00 2.08 H new ATOM 0 HG3 ARG A 9 -4.421 -2.982 6.952 1.00 2.08 H new ATOM 0 HD2 ARG A 9 -4.259 -2.637 9.431 1.00 3.27 H new ATOM 0 HD3 ARG A 9 -2.515 -2.776 9.328 1.00 3.27 H new ATOM 0 HE ARG A 9 -2.836 -0.770 7.587 1.00 4.51 H new ATOM 0 HH11 ARG A 9 -4.359 -1.218 10.748 1.00 5.64 H new ATOM 0 HH12 ARG A 9 -4.676 0.509 10.941 1.00 5.64 H new ATOM 0 HH21 ARG A 9 -3.356 1.401 7.841 1.00 6.62 H new ATOM 0 HH22 ARG A 9 -4.121 1.960 9.332 1.00 6.62 H new ATOM 141 N PHE A 10 -3.766 -7.428 8.915 1.00 0.88 N ATOM 142 CA PHE A 10 -4.054 -8.784 9.387 1.00 0.82 C ATOM 143 C PHE A 10 -5.264 -9.348 8.639 1.00 0.79 C ATOM 144 O PHE A 10 -6.261 -8.650 8.459 1.00 0.94 O ATOM 145 CB PHE A 10 -4.291 -8.769 10.906 1.00 1.00 C ATOM 146 CG PHE A 10 -4.846 -10.085 11.413 1.00 1.05 C ATOM 147 CD1 PHE A 10 -4.000 -11.201 11.552 1.00 1.87 C ATOM 148 CD2 PHE A 10 -6.232 -10.228 11.619 1.00 1.90 C ATOM 149 CE1 PHE A 10 -4.538 -12.454 11.896 1.00 1.93 C ATOM 150 CE2 PHE A 10 -6.770 -11.483 11.952 1.00 2.01 C ATOM 151 CZ PHE A 10 -5.923 -12.596 12.094 1.00 1.33 C ATOM 0 H PHE A 10 -4.603 -6.899 8.670 1.00 0.88 H new ATOM 0 HA PHE A 10 -3.200 -9.431 9.185 1.00 0.82 H new ATOM 0 HB2 PHE A 10 -3.352 -8.552 11.416 1.00 1.00 H new ATOM 0 HB3 PHE A 10 -4.983 -7.965 11.156 1.00 1.00 H new ATOM 0 HD1 PHE A 10 -2.937 -11.095 11.394 1.00 1.87 H new ATOM 0 HD2 PHE A 10 -6.883 -9.372 11.521 1.00 1.90 H new ATOM 0 HE1 PHE A 10 -3.887 -13.308 12.008 1.00 1.93 H new ATOM 0 HE2 PHE A 10 -7.834 -11.592 12.099 1.00 2.01 H new ATOM 0 HZ PHE A 10 -6.336 -13.559 12.355 1.00 1.33 H new ATOM 161 N SER A 11 -5.167 -10.602 8.188 1.00 0.82 N ATOM 162 CA SER A 11 -6.088 -11.139 7.174 1.00 0.92 C ATOM 163 C SER A 11 -5.860 -12.635 6.850 1.00 0.98 C ATOM 164 O SER A 11 -4.815 -12.964 6.275 1.00 1.13 O ATOM 165 CB SER A 11 -5.921 -10.348 5.862 1.00 1.41 C ATOM 166 OG SER A 11 -4.557 -10.330 5.468 1.00 3.56 O ATOM 0 H SER A 11 -4.462 -11.266 8.507 1.00 0.82 H new ATOM 0 HA SER A 11 -7.088 -11.039 7.595 1.00 0.92 H new ATOM 0 HB2 SER A 11 -6.527 -10.800 5.077 1.00 1.41 H new ATOM 0 HB3 SER A 11 -6.281 -9.328 5.996 1.00 1.41 H new ATOM 0 HG SER A 11 -4.132 -11.175 5.722 1.00 3.56 H new ATOM 172 N PRO A 12 -6.827 -13.538 7.104 1.00 1.06 N ATOM 173 CA PRO A 12 -6.764 -14.917 6.611 1.00 1.18 C ATOM 174 C PRO A 12 -7.057 -15.011 5.105 1.00 1.04 C ATOM 175 O PRO A 12 -6.569 -15.918 4.432 1.00 1.17 O ATOM 176 CB PRO A 12 -7.826 -15.663 7.417 1.00 1.39 C ATOM 177 CG PRO A 12 -8.884 -14.599 7.706 1.00 1.33 C ATOM 178 CD PRO A 12 -8.056 -13.321 7.860 1.00 1.19 C ATOM 0 HA PRO A 12 -5.766 -15.337 6.735 1.00 1.18 H new ATOM 0 HB2 PRO A 12 -8.243 -16.497 6.853 1.00 1.39 H new ATOM 0 HB3 PRO A 12 -7.412 -16.075 8.337 1.00 1.39 H new ATOM 0 HG2 PRO A 12 -9.606 -14.517 6.893 1.00 1.33 H new ATOM 0 HG3 PRO A 12 -9.448 -14.826 8.611 1.00 1.33 H new ATOM 0 HD2 PRO A 12 -8.600 -12.457 7.479 1.00 1.19 H new ATOM 0 HD3 PRO A 12 -7.838 -13.123 8.909 1.00 1.19 H new ATOM 186 N GLY A 13 -7.848 -14.070 4.581 1.00 0.88 N ATOM 187 CA GLY A 13 -8.310 -14.015 3.194 1.00 0.88 C ATOM 188 C GLY A 13 -9.836 -13.855 3.103 1.00 0.90 C ATOM 189 O GLY A 13 -10.489 -13.706 4.137 1.00 0.97 O ATOM 0 H GLY A 13 -8.199 -13.291 5.139 1.00 0.88 H new ATOM 0 HA2 GLY A 13 -7.827 -13.182 2.683 1.00 0.88 H new ATOM 0 HA3 GLY A 13 -8.009 -14.925 2.675 1.00 0.88 H new ATOM 193 N PRO A 14 -10.421 -13.860 1.888 1.00 0.95 N ATOM 194 CA PRO A 14 -9.756 -14.036 0.591 1.00 0.95 C ATOM 195 C PRO A 14 -8.968 -12.799 0.136 1.00 0.85 C ATOM 196 O PRO A 14 -8.234 -12.875 -0.850 1.00 0.89 O ATOM 197 CB PRO A 14 -10.898 -14.344 -0.385 1.00 1.11 C ATOM 198 CG PRO A 14 -12.073 -13.557 0.195 1.00 1.14 C ATOM 199 CD PRO A 14 -11.856 -13.698 1.700 1.00 1.10 C ATOM 0 HA PRO A 14 -9.008 -14.827 0.645 1.00 0.95 H new ATOM 0 HB2 PRO A 14 -10.659 -14.023 -1.399 1.00 1.11 H new ATOM 0 HB3 PRO A 14 -11.112 -15.412 -0.431 1.00 1.11 H new ATOM 0 HG2 PRO A 14 -12.058 -12.514 -0.121 1.00 1.14 H new ATOM 0 HG3 PRO A 14 -13.032 -13.971 -0.117 1.00 1.14 H new ATOM 0 HD2 PRO A 14 -12.222 -12.819 2.230 1.00 1.10 H new ATOM 0 HD3 PRO A 14 -12.400 -14.557 2.093 1.00 1.10 H new ATOM 207 N ASN A 15 -9.099 -11.671 0.845 1.00 0.77 N ATOM 208 CA ASN A 15 -8.424 -10.409 0.591 1.00 0.64 C ATOM 209 C ASN A 15 -7.713 -9.854 1.846 1.00 0.65 C ATOM 210 O ASN A 15 -7.941 -10.279 2.980 1.00 0.92 O ATOM 211 CB ASN A 15 -9.445 -9.412 -0.003 1.00 0.70 C ATOM 212 CG ASN A 15 -10.620 -9.052 0.905 1.00 1.08 C ATOM 213 OD1 ASN A 15 -10.859 -9.643 1.945 1.00 1.87 O ATOM 214 ND2 ASN A 15 -11.399 -8.055 0.522 1.00 1.47 N ATOM 0 H ASN A 15 -9.716 -11.620 1.656 1.00 0.77 H new ATOM 0 HA ASN A 15 -7.625 -10.572 -0.133 1.00 0.64 H new ATOM 0 HB2 ASN A 15 -8.919 -8.495 -0.267 1.00 0.70 H new ATOM 0 HB3 ASN A 15 -9.839 -9.831 -0.929 1.00 0.70 H new ATOM 0 HD21 ASN A 15 -12.197 -7.782 1.096 1.00 1.47 H new ATOM 0 HD22 ASN A 15 -11.202 -7.559 -0.347 1.00 1.47 H new ATOM 221 N ALA A 16 -6.833 -8.885 1.601 1.00 0.53 N ATOM 222 CA ALA A 16 -5.949 -8.205 2.557 1.00 0.56 C ATOM 223 C ALA A 16 -5.640 -6.771 2.088 1.00 0.51 C ATOM 224 O ALA A 16 -6.128 -6.345 1.041 1.00 0.46 O ATOM 225 CB ALA A 16 -4.661 -9.030 2.696 1.00 0.72 C ATOM 0 H ALA A 16 -6.707 -8.524 0.656 1.00 0.53 H new ATOM 0 HA ALA A 16 -6.440 -8.128 3.527 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -3.990 -8.541 3.403 1.00 0.72 H new ATOM 0 HB2 ALA A 16 -4.906 -10.028 3.059 1.00 0.72 H new ATOM 0 HB3 ALA A 16 -4.172 -9.107 1.725 1.00 0.72 H new ATOM 231 N ALA A 17 -4.823 -6.027 2.834 1.00 0.59 N ATOM 232 CA ALA A 17 -4.318 -4.703 2.462 1.00 0.58 C ATOM 233 C ALA A 17 -2.900 -4.499 3.032 1.00 0.57 C ATOM 234 O ALA A 17 -2.635 -4.892 4.173 1.00 0.67 O ATOM 235 CB ALA A 17 -5.258 -3.628 3.029 1.00 0.63 C ATOM 0 H ALA A 17 -4.483 -6.339 3.744 1.00 0.59 H new ATOM 0 HA ALA A 17 -4.278 -4.624 1.376 1.00 0.58 H new ATOM 0 HB1 ALA A 17 -4.888 -2.640 2.756 1.00 0.63 H new ATOM 0 HB2 ALA A 17 -6.258 -3.767 2.619 1.00 0.63 H new ATOM 0 HB3 ALA A 17 -5.296 -3.714 4.115 1.00 0.63 H new ATOM 241 N ALA A 18 -2.010 -3.850 2.277 1.00 0.69 N ATOM 242 CA ALA A 18 -0.613 -3.615 2.634 1.00 0.74 C ATOM 243 C ALA A 18 -0.237 -2.137 2.493 1.00 0.81 C ATOM 244 O ALA A 18 -0.805 -1.393 1.687 1.00 0.73 O ATOM 245 CB ALA A 18 0.279 -4.511 1.769 1.00 0.80 C ATOM 0 H ALA A 18 -2.254 -3.460 1.367 1.00 0.69 H new ATOM 0 HA ALA A 18 -0.463 -3.870 3.683 1.00 0.74 H new ATOM 0 HB1 ALA A 18 1.324 -4.343 2.028 1.00 0.80 H new ATOM 0 HB2 ALA A 18 0.025 -5.556 1.946 1.00 0.80 H new ATOM 0 HB3 ALA A 18 0.123 -4.272 0.717 1.00 0.80 H new ATOM 251 N TYR A 19 0.718 -1.717 3.319 1.00 0.99 N ATOM 252 CA TYR A 19 1.085 -0.323 3.605 1.00 1.00 C ATOM 253 C TYR A 19 2.625 -0.168 3.539 1.00 1.06 C ATOM 254 O TYR A 19 3.299 0.005 4.552 1.00 1.21 O ATOM 255 CB TYR A 19 0.514 0.074 4.988 1.00 1.02 C ATOM 256 CG TYR A 19 -1.001 0.204 5.101 1.00 1.04 C ATOM 257 CD1 TYR A 19 -1.830 -0.935 5.133 1.00 2.02 C ATOM 258 CD2 TYR A 19 -1.589 1.477 5.216 1.00 2.00 C ATOM 259 CE1 TYR A 19 -3.228 -0.796 5.231 1.00 2.02 C ATOM 260 CE2 TYR A 19 -2.978 1.624 5.369 1.00 2.29 C ATOM 261 CZ TYR A 19 -3.809 0.483 5.369 1.00 1.49 C ATOM 262 OH TYR A 19 -5.157 0.623 5.457 1.00 1.84 O ATOM 0 H TYR A 19 1.294 -2.377 3.841 1.00 0.99 H new ATOM 0 HA TYR A 19 0.659 0.349 2.860 1.00 1.00 H new ATOM 0 HB2 TYR A 19 0.846 -0.666 5.716 1.00 1.02 H new ATOM 0 HB3 TYR A 19 0.958 1.027 5.277 1.00 1.02 H new ATOM 0 HD1 TYR A 19 -1.391 -1.920 5.082 1.00 2.02 H new ATOM 0 HD2 TYR A 19 -0.962 2.356 5.186 1.00 2.00 H new ATOM 0 HE1 TYR A 19 -3.859 -1.672 5.200 1.00 2.02 H new ATOM 0 HE2 TYR A 19 -3.409 2.607 5.486 1.00 2.29 H new ATOM 0 HH TYR A 19 -5.382 1.572 5.549 1.00 1.84 H new ATOM 272 N LEU A 20 3.199 -0.334 2.338 1.00 1.52 N ATOM 273 CA LEU A 20 4.653 -0.375 2.077 1.00 1.66 C ATOM 274 C LEU A 20 5.367 0.987 2.196 1.00 1.54 C ATOM 275 O LEU A 20 4.711 2.025 2.168 1.00 1.27 O ATOM 276 CB LEU A 20 4.894 -1.066 0.715 1.00 1.74 C ATOM 277 CG LEU A 20 4.339 -0.341 -0.540 1.00 1.48 C ATOM 278 CD1 LEU A 20 5.277 0.723 -1.120 1.00 1.98 C ATOM 279 CD2 LEU A 20 4.074 -1.365 -1.646 1.00 2.03 C ATOM 0 H LEU A 20 2.647 -0.448 1.488 1.00 1.52 H new ATOM 0 HA LEU A 20 5.115 -0.962 2.871 1.00 1.66 H new ATOM 0 HB2 LEU A 20 5.968 -1.198 0.585 1.00 1.74 H new ATOM 0 HB3 LEU A 20 4.453 -2.062 0.756 1.00 1.74 H new ATOM 0 HG LEU A 20 3.432 0.162 -0.207 1.00 1.48 H new ATOM 0 HD11 LEU A 20 4.813 1.180 -1.994 1.00 1.98 H new ATOM 0 HD12 LEU A 20 5.468 1.489 -0.368 1.00 1.98 H new ATOM 0 HD13 LEU A 20 6.219 0.258 -1.411 1.00 1.98 H new ATOM 0 HD21 LEU A 20 3.684 -0.856 -2.527 1.00 2.03 H new ATOM 0 HD22 LEU A 20 5.004 -1.873 -1.902 1.00 2.03 H new ATOM 0 HD23 LEU A 20 3.345 -2.097 -1.297 1.00 2.03 H new ATOM 291 N THR A 21 6.708 0.985 2.267 1.00 1.86 N ATOM 292 CA THR A 21 7.549 2.194 2.162 1.00 1.89 C ATOM 293 C THR A 21 7.999 2.403 0.726 1.00 1.82 C ATOM 294 O THR A 21 8.053 1.448 -0.046 1.00 2.25 O ATOM 295 CB THR A 21 8.716 2.186 3.153 1.00 2.37 C ATOM 296 OG1 THR A 21 9.582 3.266 2.925 1.00 3.81 O ATOM 297 CG2 THR A 21 9.531 0.908 3.129 1.00 4.38 C ATOM 0 H THR A 21 7.249 0.131 2.401 1.00 1.86 H new ATOM 0 HA THR A 21 6.938 3.051 2.445 1.00 1.89 H new ATOM 0 HB THR A 21 8.249 2.267 4.135 1.00 2.37 H new ATOM 0 HG1 THR A 21 10.390 2.947 2.471 1.00 3.81 H new ATOM 0 HG21 THR A 21 10.339 0.978 3.857 1.00 4.38 H new ATOM 0 HG22 THR A 21 8.890 0.063 3.378 1.00 4.38 H new ATOM 0 HG23 THR A 21 9.951 0.763 2.134 1.00 4.38 H new ATOM 305 N LEU A 22 8.225 3.671 0.378 1.00 1.60 N ATOM 306 CA LEU A 22 8.407 4.149 -0.985 1.00 1.70 C ATOM 307 C LEU A 22 9.576 5.128 -1.045 1.00 1.73 C ATOM 308 O LEU A 22 9.524 6.198 -0.432 1.00 1.70 O ATOM 309 CB LEU A 22 7.108 4.855 -1.396 1.00 1.84 C ATOM 310 CG LEU A 22 7.008 5.347 -2.844 1.00 2.74 C ATOM 311 CD1 LEU A 22 7.224 4.211 -3.841 1.00 3.32 C ATOM 312 CD2 LEU A 22 5.628 5.998 -3.041 1.00 4.32 C ATOM 0 H LEU A 22 8.288 4.419 1.069 1.00 1.60 H new ATOM 0 HA LEU A 22 8.627 3.321 -1.659 1.00 1.70 H new ATOM 0 HB2 LEU A 22 6.279 4.171 -1.213 1.00 1.84 H new ATOM 0 HB3 LEU A 22 6.966 5.712 -0.737 1.00 1.84 H new ATOM 0 HG LEU A 22 7.794 6.078 -3.031 1.00 2.74 H new ATOM 0 HD11 LEU A 22 7.146 4.599 -4.857 1.00 3.32 H new ATOM 0 HD12 LEU A 22 8.214 3.780 -3.692 1.00 3.32 H new ATOM 0 HD13 LEU A 22 6.467 3.442 -3.687 1.00 3.32 H new ATOM 0 HD21 LEU A 22 5.537 6.355 -4.067 1.00 4.32 H new ATOM 0 HD22 LEU A 22 4.848 5.264 -2.842 1.00 4.32 H new ATOM 0 HD23 LEU A 22 5.520 6.837 -2.354 1.00 4.32 H new ATOM 324 N GLU A 23 10.604 4.765 -1.799 1.00 1.98 N ATOM 325 CA GLU A 23 11.877 5.475 -1.889 1.00 2.14 C ATOM 326 C GLU A 23 12.081 6.062 -3.291 1.00 1.83 C ATOM 327 O GLU A 23 11.928 5.365 -4.293 1.00 2.11 O ATOM 328 CB GLU A 23 13.048 4.507 -1.609 1.00 3.14 C ATOM 329 CG GLU A 23 13.058 3.775 -0.255 1.00 3.48 C ATOM 330 CD GLU A 23 11.862 2.852 -0.007 1.00 4.94 C ATOM 331 OE1 GLU A 23 11.387 2.230 -0.978 1.00 6.35 O ATOM 332 OE2 GLU A 23 11.389 2.853 1.152 1.00 5.28 O ATOM 0 H GLU A 23 10.575 3.934 -2.390 1.00 1.98 H new ATOM 0 HA GLU A 23 11.856 6.277 -1.151 1.00 2.14 H new ATOM 0 HB2 GLU A 23 13.058 3.755 -2.398 1.00 3.14 H new ATOM 0 HB3 GLU A 23 13.977 5.070 -1.693 1.00 3.14 H new ATOM 0 HG2 GLU A 23 13.972 3.186 -0.185 1.00 3.48 H new ATOM 0 HG3 GLU A 23 13.095 4.518 0.542 1.00 3.48 H new ATOM 339 N ASN A 24 12.528 7.317 -3.386 1.00 1.51 N ATOM 340 CA ASN A 24 12.946 7.950 -4.641 1.00 1.28 C ATOM 341 C ASN A 24 14.450 8.313 -4.604 1.00 1.47 C ATOM 342 O ASN A 24 14.802 9.495 -4.608 1.00 1.74 O ATOM 343 CB ASN A 24 12.034 9.161 -4.911 1.00 0.91 C ATOM 344 CG ASN A 24 12.026 9.611 -6.370 1.00 0.96 C ATOM 345 OD1 ASN A 24 10.979 9.844 -6.933 1.00 2.63 O ATOM 346 ND2 ASN A 24 13.152 9.721 -7.051 1.00 1.61 N ATOM 0 H ASN A 24 12.611 7.934 -2.578 1.00 1.51 H new ATOM 0 HA ASN A 24 12.834 7.254 -5.473 1.00 1.28 H new ATOM 0 HB2 ASN A 24 11.016 8.912 -4.611 1.00 0.91 H new ATOM 0 HB3 ASN A 24 12.356 9.993 -4.285 1.00 0.91 H new ATOM 0 HD21 ASN A 24 13.129 9.998 -8.032 1.00 1.61 H new ATOM 0 HD22 ASN A 24 14.044 9.529 -6.596 1.00 1.61 H new ATOM 353 N PRO A 25 15.361 7.322 -4.575 1.00 1.43 N ATOM 354 CA PRO A 25 16.794 7.549 -4.372 1.00 1.52 C ATOM 355 C PRO A 25 17.486 8.323 -5.503 1.00 1.48 C ATOM 356 O PRO A 25 18.522 8.938 -5.255 1.00 1.43 O ATOM 357 CB PRO A 25 17.399 6.146 -4.222 1.00 1.70 C ATOM 358 CG PRO A 25 16.431 5.261 -5.010 1.00 1.65 C ATOM 359 CD PRO A 25 15.088 5.896 -4.690 1.00 1.45 C ATOM 0 HA PRO A 25 16.944 8.183 -3.498 1.00 1.52 H new ATOM 0 HB2 PRO A 25 18.410 6.098 -4.628 1.00 1.70 H new ATOM 0 HB3 PRO A 25 17.461 5.844 -3.177 1.00 1.70 H new ATOM 0 HG2 PRO A 25 16.644 5.275 -6.079 1.00 1.65 H new ATOM 0 HG3 PRO A 25 16.477 4.220 -4.689 1.00 1.65 H new ATOM 0 HD2 PRO A 25 14.360 5.696 -5.476 1.00 1.45 H new ATOM 0 HD3 PRO A 25 14.674 5.498 -3.764 1.00 1.45 H new ATOM 367 N GLY A 26 16.925 8.322 -6.720 1.00 1.54 N ATOM 368 CA GLY A 26 17.463 9.047 -7.869 1.00 1.49 C ATOM 369 C GLY A 26 17.127 10.535 -7.856 1.00 1.25 C ATOM 370 O GLY A 26 16.640 11.094 -6.876 1.00 1.39 O ATOM 0 H GLY A 26 16.070 7.807 -6.933 1.00 1.54 H new ATOM 0 HA2 GLY A 26 18.546 8.927 -7.891 1.00 1.49 H new ATOM 0 HA3 GLY A 26 17.074 8.602 -8.785 1.00 1.49 H new ATOM 374 N ASP A 27 17.459 11.178 -8.969 1.00 1.25 N ATOM 375 CA ASP A 27 17.511 12.627 -9.160 1.00 1.43 C ATOM 376 C ASP A 27 16.408 13.148 -10.098 1.00 1.37 C ATOM 377 O ASP A 27 16.266 14.346 -10.321 1.00 1.56 O ATOM 378 CB ASP A 27 18.913 12.899 -9.705 1.00 1.85 C ATOM 379 CG ASP A 27 19.939 12.641 -8.604 1.00 2.24 C ATOM 380 OD1 ASP A 27 20.344 11.466 -8.443 1.00 2.98 O ATOM 381 OD2 ASP A 27 20.150 13.531 -7.753 1.00 2.72 O ATOM 0 H ASP A 27 17.716 10.672 -9.817 1.00 1.25 H new ATOM 0 HA ASP A 27 17.327 13.157 -8.226 1.00 1.43 H new ATOM 0 HB2 ASP A 27 19.113 12.257 -10.563 1.00 1.85 H new ATOM 0 HB3 ASP A 27 18.987 13.929 -10.053 1.00 1.85 H new ATOM 386 N LEU A 28 15.588 12.222 -10.597 1.00 1.19 N ATOM 387 CA LEU A 28 14.342 12.451 -11.324 1.00 1.05 C ATOM 388 C LEU A 28 13.183 11.740 -10.586 1.00 1.00 C ATOM 389 O LEU A 28 13.436 10.832 -9.783 1.00 1.13 O ATOM 390 CB LEU A 28 14.513 11.931 -12.763 1.00 1.17 C ATOM 391 CG LEU A 28 15.631 12.606 -13.584 1.00 2.73 C ATOM 392 CD1 LEU A 28 15.777 11.882 -14.930 1.00 3.89 C ATOM 393 CD2 LEU A 28 15.337 14.094 -13.836 1.00 3.90 C ATOM 0 H LEU A 28 15.791 11.228 -10.497 1.00 1.19 H new ATOM 0 HA LEU A 28 14.103 13.513 -11.369 1.00 1.05 H new ATOM 0 HB2 LEU A 28 14.712 10.860 -12.723 1.00 1.17 H new ATOM 0 HB3 LEU A 28 13.569 12.060 -13.292 1.00 1.17 H new ATOM 0 HG LEU A 28 16.556 12.540 -13.011 1.00 2.73 H new ATOM 0 HD11 LEU A 28 16.566 12.355 -15.514 1.00 3.89 H new ATOM 0 HD12 LEU A 28 16.032 10.837 -14.755 1.00 3.89 H new ATOM 0 HD13 LEU A 28 14.836 11.939 -15.478 1.00 3.89 H new ATOM 0 HD21 LEU A 28 16.148 14.532 -14.417 1.00 3.90 H new ATOM 0 HD22 LEU A 28 14.402 14.192 -14.387 1.00 3.90 H new ATOM 0 HD23 LEU A 28 15.252 14.615 -12.882 1.00 3.90 H new ATOM 405 N PRO A 29 11.917 12.132 -10.830 1.00 0.92 N ATOM 406 CA PRO A 29 10.791 11.698 -10.021 1.00 0.87 C ATOM 407 C PRO A 29 10.301 10.310 -10.446 1.00 0.87 C ATOM 408 O PRO A 29 10.305 9.961 -11.629 1.00 0.97 O ATOM 409 CB PRO A 29 9.721 12.776 -10.215 1.00 0.85 C ATOM 410 CG PRO A 29 9.983 13.304 -11.623 1.00 0.87 C ATOM 411 CD PRO A 29 11.477 13.059 -11.858 1.00 0.91 C ATOM 0 HA PRO A 29 11.058 11.592 -8.969 1.00 0.87 H new ATOM 0 HB2 PRO A 29 8.716 12.363 -10.124 1.00 0.85 H new ATOM 0 HB3 PRO A 29 9.810 13.566 -9.469 1.00 0.85 H new ATOM 0 HG2 PRO A 29 9.375 12.781 -12.361 1.00 0.87 H new ATOM 0 HG3 PRO A 29 9.738 14.363 -11.701 1.00 0.87 H new ATOM 0 HD2 PRO A 29 11.649 12.645 -12.851 1.00 0.91 H new ATOM 0 HD3 PRO A 29 12.036 13.993 -11.801 1.00 0.91 H new ATOM 419 N LEU A 30 9.869 9.524 -9.461 1.00 0.92 N ATOM 420 CA LEU A 30 9.199 8.236 -9.644 1.00 0.90 C ATOM 421 C LEU A 30 7.683 8.366 -9.456 1.00 0.75 C ATOM 422 O LEU A 30 7.170 9.204 -8.723 1.00 0.80 O ATOM 423 CB LEU A 30 9.775 7.193 -8.663 1.00 1.13 C ATOM 424 CG LEU A 30 11.040 6.434 -9.124 1.00 1.41 C ATOM 425 CD1 LEU A 30 12.118 7.296 -9.796 1.00 2.79 C ATOM 426 CD2 LEU A 30 11.673 5.691 -7.943 1.00 1.63 C ATOM 0 H LEU A 30 9.980 9.775 -8.479 1.00 0.92 H new ATOM 0 HA LEU A 30 9.381 7.902 -10.665 1.00 0.90 H new ATOM 0 HB2 LEU A 30 10.004 7.698 -7.724 1.00 1.13 H new ATOM 0 HB3 LEU A 30 8.997 6.460 -8.449 1.00 1.13 H new ATOM 0 HG LEU A 30 10.680 5.746 -9.889 1.00 1.41 H new ATOM 0 HD11 LEU A 30 12.962 6.667 -10.081 1.00 2.79 H new ATOM 0 HD12 LEU A 30 11.703 7.770 -10.685 1.00 2.79 H new ATOM 0 HD13 LEU A 30 12.456 8.064 -9.100 1.00 2.79 H new ATOM 0 HD21 LEU A 30 12.563 5.161 -8.282 1.00 1.63 H new ATOM 0 HD22 LEU A 30 11.950 6.407 -7.169 1.00 1.63 H new ATOM 0 HD23 LEU A 30 10.957 4.976 -7.537 1.00 1.63 H new ATOM 438 N ARG A 31 6.984 7.434 -10.102 1.00 0.64 N ATOM 439 CA ARG A 31 5.521 7.348 -10.147 1.00 0.51 C ATOM 440 C ARG A 31 5.087 5.899 -9.955 1.00 0.47 C ATOM 441 O ARG A 31 5.255 5.084 -10.857 1.00 0.52 O ATOM 442 CB ARG A 31 5.017 7.900 -11.486 1.00 0.49 C ATOM 443 CG ARG A 31 3.489 8.065 -11.489 1.00 0.51 C ATOM 444 CD ARG A 31 2.980 8.822 -12.720 1.00 0.67 C ATOM 445 NE ARG A 31 3.405 10.227 -12.680 1.00 0.98 N ATOM 446 CZ ARG A 31 3.356 11.136 -13.639 1.00 1.11 C ATOM 447 NH1 ARG A 31 2.816 10.890 -14.819 1.00 1.81 N ATOM 448 NH2 ARG A 31 3.866 12.320 -13.408 1.00 1.70 N ATOM 0 H ARG A 31 7.437 6.688 -10.630 1.00 0.64 H new ATOM 0 HA ARG A 31 5.090 7.945 -9.343 1.00 0.51 H new ATOM 0 HB2 ARG A 31 5.488 8.863 -11.684 1.00 0.49 H new ATOM 0 HB3 ARG A 31 5.313 7.228 -12.292 1.00 0.49 H new ATOM 0 HG2 ARG A 31 3.021 7.081 -11.453 1.00 0.51 H new ATOM 0 HG3 ARG A 31 3.183 8.597 -10.588 1.00 0.51 H new ATOM 0 HD2 ARG A 31 3.358 8.348 -13.626 1.00 0.67 H new ATOM 0 HD3 ARG A 31 1.892 8.767 -12.762 1.00 0.67 H new ATOM 0 HE ARG A 31 3.791 10.545 -11.791 1.00 0.98 H new ATOM 0 HH11 ARG A 31 2.417 9.972 -15.016 1.00 1.81 H new ATOM 0 HH12 ARG A 31 2.797 11.618 -15.533 1.00 1.81 H new ATOM 0 HH21 ARG A 31 4.290 12.525 -12.503 1.00 1.70 H new ATOM 0 HH22 ARG A 31 3.840 13.037 -14.133 1.00 1.70 H new ATOM 462 N LEU A 32 4.601 5.547 -8.773 1.00 0.48 N ATOM 463 CA LEU A 32 4.249 4.184 -8.368 1.00 0.46 C ATOM 464 C LEU A 32 2.808 3.905 -8.819 1.00 0.41 C ATOM 465 O LEU A 32 1.883 4.473 -8.249 1.00 0.46 O ATOM 466 CB LEU A 32 4.443 4.134 -6.839 1.00 0.55 C ATOM 467 CG LEU A 32 4.524 2.757 -6.142 1.00 0.81 C ATOM 468 CD1 LEU A 32 3.911 2.845 -4.738 1.00 1.50 C ATOM 469 CD2 LEU A 32 3.858 1.603 -6.887 1.00 1.91 C ATOM 0 H LEU A 32 4.432 6.230 -8.034 1.00 0.48 H new ATOM 0 HA LEU A 32 4.867 3.410 -8.823 1.00 0.46 H new ATOM 0 HB2 LEU A 32 5.359 4.676 -6.605 1.00 0.55 H new ATOM 0 HB3 LEU A 32 3.621 4.686 -6.384 1.00 0.55 H new ATOM 0 HG LEU A 32 5.589 2.526 -6.113 1.00 0.81 H new ATOM 0 HD11 LEU A 32 3.972 1.871 -4.253 1.00 1.50 H new ATOM 0 HD12 LEU A 32 4.459 3.579 -4.147 1.00 1.50 H new ATOM 0 HD13 LEU A 32 2.867 3.147 -4.815 1.00 1.50 H new ATOM 0 HD21 LEU A 32 3.973 0.684 -6.312 1.00 1.91 H new ATOM 0 HD22 LEU A 32 2.798 1.819 -7.019 1.00 1.91 H new ATOM 0 HD23 LEU A 32 4.327 1.481 -7.863 1.00 1.91 H new ATOM 481 N VAL A 33 2.610 3.067 -9.839 1.00 0.37 N ATOM 482 CA VAL A 33 1.297 2.890 -10.503 1.00 0.39 C ATOM 483 C VAL A 33 0.565 1.606 -10.082 1.00 0.41 C ATOM 484 O VAL A 33 -0.656 1.537 -10.160 1.00 0.50 O ATOM 485 CB VAL A 33 1.408 2.950 -12.051 1.00 0.49 C ATOM 486 CG1 VAL A 33 2.122 4.228 -12.537 1.00 0.50 C ATOM 487 CG2 VAL A 33 2.137 1.753 -12.692 1.00 0.61 C ATOM 0 H VAL A 33 3.350 2.487 -10.235 1.00 0.37 H new ATOM 0 HA VAL A 33 0.698 3.734 -10.161 1.00 0.39 H new ATOM 0 HB VAL A 33 0.366 2.934 -12.371 1.00 0.49 H new ATOM 0 HG11 VAL A 33 2.175 4.224 -13.626 1.00 0.50 H new ATOM 0 HG12 VAL A 33 1.566 5.104 -12.204 1.00 0.50 H new ATOM 0 HG13 VAL A 33 3.131 4.260 -12.125 1.00 0.50 H new ATOM 0 HG21 VAL A 33 2.166 1.882 -13.774 1.00 0.61 H new ATOM 0 HG22 VAL A 33 3.155 1.697 -12.306 1.00 0.61 H new ATOM 0 HG23 VAL A 33 1.606 0.832 -12.450 1.00 0.61 H new ATOM 497 N GLY A 34 1.306 0.582 -9.642 1.00 0.41 N ATOM 498 CA GLY A 34 0.768 -0.687 -9.137 1.00 0.46 C ATOM 499 C GLY A 34 1.763 -1.415 -8.246 1.00 0.49 C ATOM 500 O GLY A 34 2.860 -0.922 -8.003 1.00 0.53 O ATOM 0 H GLY A 34 2.325 0.614 -9.627 1.00 0.41 H new ATOM 0 HA2 GLY A 34 -0.147 -0.495 -8.577 1.00 0.46 H new ATOM 0 HA3 GLY A 34 0.499 -1.327 -9.978 1.00 0.46 H new ATOM 504 N ALA A 35 1.405 -2.610 -7.780 1.00 0.50 N ATOM 505 CA ALA A 35 2.304 -3.478 -7.020 1.00 0.49 C ATOM 506 C ALA A 35 2.326 -4.923 -7.557 1.00 0.49 C ATOM 507 O ALA A 35 1.609 -5.273 -8.497 1.00 0.54 O ATOM 508 CB ALA A 35 1.902 -3.391 -5.537 1.00 0.52 C ATOM 0 H ALA A 35 0.476 -3.007 -7.920 1.00 0.50 H new ATOM 0 HA ALA A 35 3.332 -3.135 -7.134 1.00 0.49 H new ATOM 0 HB1 ALA A 35 2.557 -4.030 -4.944 1.00 0.52 H new ATOM 0 HB2 ALA A 35 1.994 -2.360 -5.195 1.00 0.52 H new ATOM 0 HB3 ALA A 35 0.870 -3.721 -5.420 1.00 0.52 H new ATOM 514 N ARG A 36 3.123 -5.768 -6.903 1.00 0.49 N ATOM 515 CA ARG A 36 3.080 -7.235 -6.930 1.00 0.48 C ATOM 516 C ARG A 36 3.603 -7.773 -5.586 1.00 0.49 C ATOM 517 O ARG A 36 4.085 -7.000 -4.766 1.00 0.55 O ATOM 518 CB ARG A 36 3.905 -7.780 -8.119 1.00 0.60 C ATOM 519 CG ARG A 36 3.089 -8.608 -9.112 1.00 1.26 C ATOM 520 CD ARG A 36 2.590 -9.951 -8.546 1.00 2.37 C ATOM 521 NE ARG A 36 1.854 -10.729 -9.564 1.00 3.04 N ATOM 522 CZ ARG A 36 0.649 -11.279 -9.429 1.00 4.53 C ATOM 523 NH1 ARG A 36 0.000 -11.360 -8.292 1.00 5.72 N ATOM 524 NH2 ARG A 36 0.009 -11.770 -10.466 1.00 5.39 N ATOM 0 H ARG A 36 3.868 -5.424 -6.298 1.00 0.49 H new ATOM 0 HA ARG A 36 2.053 -7.573 -7.070 1.00 0.48 H new ATOM 0 HB2 ARG A 36 4.360 -6.942 -8.647 1.00 0.60 H new ATOM 0 HB3 ARG A 36 4.719 -8.393 -7.733 1.00 0.60 H new ATOM 0 HG2 ARG A 36 2.230 -8.022 -9.439 1.00 1.26 H new ATOM 0 HG3 ARG A 36 3.698 -8.801 -9.995 1.00 1.26 H new ATOM 0 HD2 ARG A 36 3.438 -10.533 -8.186 1.00 2.37 H new ATOM 0 HD3 ARG A 36 1.942 -9.767 -7.689 1.00 2.37 H new ATOM 0 HE ARG A 36 2.317 -10.858 -10.464 1.00 3.04 H new ATOM 0 HH11 ARG A 36 0.417 -10.988 -7.439 1.00 5.72 H new ATOM 0 HH12 ARG A 36 -0.922 -11.795 -8.261 1.00 5.72 H new ATOM 0 HH21 ARG A 36 0.435 -11.733 -11.392 1.00 5.39 H new ATOM 0 HH22 ARG A 36 -0.914 -12.188 -10.345 1.00 5.39 H new ATOM 538 N THR A 37 3.499 -9.086 -5.378 1.00 0.58 N ATOM 539 CA THR A 37 3.873 -9.881 -4.193 1.00 0.65 C ATOM 540 C THR A 37 3.420 -11.318 -4.458 1.00 0.67 C ATOM 541 O THR A 37 2.434 -11.481 -5.191 1.00 0.67 O ATOM 542 CB THR A 37 3.280 -9.327 -2.890 1.00 0.73 C ATOM 543 OG1 THR A 37 3.553 -10.173 -1.810 1.00 0.88 O ATOM 544 CG2 THR A 37 1.769 -9.096 -2.904 1.00 0.70 C ATOM 0 H THR A 37 3.112 -9.686 -6.106 1.00 0.58 H new ATOM 0 HA THR A 37 4.952 -9.835 -4.046 1.00 0.65 H new ATOM 0 HB THR A 37 3.765 -8.356 -2.788 1.00 0.73 H new ATOM 0 HG1 THR A 37 4.428 -9.948 -1.431 1.00 0.88 H new ATOM 0 HG21 THR A 37 1.452 -8.704 -1.938 1.00 0.70 H new ATOM 0 HG22 THR A 37 1.518 -8.380 -3.686 1.00 0.70 H new ATOM 0 HG23 THR A 37 1.259 -10.039 -3.098 1.00 0.70 H new ATOM 552 N PRO A 38 4.085 -12.355 -3.920 1.00 0.83 N ATOM 553 CA PRO A 38 3.731 -13.740 -4.213 1.00 0.99 C ATOM 554 C PRO A 38 2.437 -14.215 -3.545 1.00 1.05 C ATOM 555 O PRO A 38 1.907 -15.245 -3.945 1.00 1.26 O ATOM 556 CB PRO A 38 4.939 -14.566 -3.766 1.00 1.12 C ATOM 557 CG PRO A 38 5.657 -13.702 -2.732 1.00 1.13 C ATOM 558 CD PRO A 38 5.344 -12.283 -3.189 1.00 1.01 C ATOM 0 HA PRO A 38 3.517 -13.853 -5.276 1.00 0.99 H new ATOM 0 HB2 PRO A 38 4.627 -15.518 -3.335 1.00 1.12 H new ATOM 0 HB3 PRO A 38 5.592 -14.796 -4.608 1.00 1.12 H new ATOM 0 HG2 PRO A 38 5.289 -13.891 -1.724 1.00 1.13 H new ATOM 0 HG3 PRO A 38 6.730 -13.894 -2.721 1.00 1.13 H new ATOM 0 HD2 PRO A 38 5.260 -11.610 -2.336 1.00 1.01 H new ATOM 0 HD3 PRO A 38 6.140 -11.895 -3.824 1.00 1.01 H new ATOM 566 N VAL A 39 1.930 -13.494 -2.541 1.00 0.93 N ATOM 567 CA VAL A 39 0.832 -13.967 -1.671 1.00 0.94 C ATOM 568 C VAL A 39 -0.563 -13.383 -1.964 1.00 0.82 C ATOM 569 O VAL A 39 -1.421 -13.431 -1.085 1.00 0.82 O ATOM 570 CB VAL A 39 1.201 -13.800 -0.178 1.00 0.99 C ATOM 571 CG1 VAL A 39 2.459 -14.603 0.188 1.00 1.15 C ATOM 572 CG2 VAL A 39 1.374 -12.318 0.181 1.00 0.92 C ATOM 0 H VAL A 39 2.266 -12.561 -2.302 1.00 0.93 H new ATOM 0 HA VAL A 39 0.733 -15.025 -1.915 1.00 0.94 H new ATOM 0 HB VAL A 39 0.375 -14.200 0.410 1.00 0.99 H new ATOM 0 HG11 VAL A 39 2.687 -14.461 1.244 1.00 1.15 H new ATOM 0 HG12 VAL A 39 2.284 -15.661 -0.006 1.00 1.15 H new ATOM 0 HG13 VAL A 39 3.299 -14.257 -0.414 1.00 1.15 H new ATOM 0 HG21 VAL A 39 1.633 -12.227 1.236 1.00 0.92 H new ATOM 0 HG22 VAL A 39 2.170 -11.887 -0.427 1.00 0.92 H new ATOM 0 HG23 VAL A 39 0.442 -11.786 -0.011 1.00 0.92 H new ATOM 582 N ALA A 40 -0.822 -12.898 -3.183 1.00 0.78 N ATOM 583 CA ALA A 40 -2.151 -12.475 -3.672 1.00 0.69 C ATOM 584 C ALA A 40 -2.221 -12.563 -5.210 1.00 0.79 C ATOM 585 O ALA A 40 -1.290 -12.137 -5.891 1.00 1.13 O ATOM 586 CB ALA A 40 -2.399 -11.032 -3.213 1.00 0.62 C ATOM 0 H ALA A 40 -0.091 -12.783 -3.885 1.00 0.78 H new ATOM 0 HA ALA A 40 -2.917 -13.136 -3.266 1.00 0.69 H new ATOM 0 HB1 ALA A 40 -3.376 -10.701 -3.565 1.00 0.62 H new ATOM 0 HB2 ALA A 40 -2.371 -10.987 -2.124 1.00 0.62 H new ATOM 0 HB3 ALA A 40 -1.627 -10.382 -3.624 1.00 0.62 H new ATOM 592 N GLU A 41 -3.318 -13.080 -5.773 1.00 0.83 N ATOM 593 CA GLU A 41 -3.512 -13.229 -7.221 1.00 0.89 C ATOM 594 C GLU A 41 -3.460 -11.880 -7.960 1.00 0.84 C ATOM 595 O GLU A 41 -2.759 -11.732 -8.966 1.00 1.08 O ATOM 596 CB GLU A 41 -4.875 -13.905 -7.469 1.00 0.99 C ATOM 597 CG GLU A 41 -4.970 -14.583 -8.839 1.00 1.12 C ATOM 598 CD GLU A 41 -4.222 -15.910 -8.793 1.00 1.74 C ATOM 599 OE1 GLU A 41 -4.853 -16.934 -8.459 1.00 2.76 O ATOM 600 OE2 GLU A 41 -2.974 -15.902 -8.857 1.00 2.68 O ATOM 0 H GLU A 41 -4.112 -13.413 -5.226 1.00 0.83 H new ATOM 0 HA GLU A 41 -2.698 -13.840 -7.612 1.00 0.89 H new ATOM 0 HB2 GLU A 41 -5.053 -14.647 -6.690 1.00 0.99 H new ATOM 0 HB3 GLU A 41 -5.665 -13.158 -7.384 1.00 0.99 H new ATOM 0 HG2 GLU A 41 -6.014 -14.749 -9.104 1.00 1.12 H new ATOM 0 HG3 GLU A 41 -4.544 -13.938 -9.608 1.00 1.12 H new ATOM 607 N ARG A 42 -4.171 -10.886 -7.419 1.00 0.71 N ATOM 608 CA ARG A 42 -4.224 -9.505 -7.870 1.00 0.74 C ATOM 609 C ARG A 42 -3.921 -8.582 -6.686 1.00 0.68 C ATOM 610 O ARG A 42 -4.077 -8.930 -5.517 1.00 0.98 O ATOM 611 CB ARG A 42 -5.619 -9.179 -8.445 1.00 0.88 C ATOM 612 CG ARG A 42 -5.994 -10.026 -9.676 1.00 1.44 C ATOM 613 CD ARG A 42 -7.313 -9.545 -10.296 1.00 1.67 C ATOM 614 NE ARG A 42 -7.734 -10.422 -11.405 1.00 2.69 N ATOM 615 CZ ARG A 42 -8.686 -10.187 -12.306 1.00 3.52 C ATOM 616 NH1 ARG A 42 -9.365 -9.055 -12.346 1.00 3.93 N ATOM 617 NH2 ARG A 42 -8.971 -11.112 -13.199 1.00 4.66 N ATOM 0 H ARG A 42 -4.761 -11.042 -6.602 1.00 0.71 H new ATOM 0 HA ARG A 42 -3.484 -9.355 -8.656 1.00 0.74 H new ATOM 0 HB2 ARG A 42 -6.368 -9.332 -7.668 1.00 0.88 H new ATOM 0 HB3 ARG A 42 -5.653 -8.124 -8.717 1.00 0.88 H new ATOM 0 HG2 ARG A 42 -5.197 -9.968 -10.418 1.00 1.44 H new ATOM 0 HG3 ARG A 42 -6.085 -11.073 -9.387 1.00 1.44 H new ATOM 0 HD2 ARG A 42 -8.090 -9.523 -9.532 1.00 1.67 H new ATOM 0 HD3 ARG A 42 -7.195 -8.525 -10.661 1.00 1.67 H new ATOM 0 HE ARG A 42 -7.239 -11.310 -11.492 1.00 2.69 H new ATOM 0 HH11 ARG A 42 -9.168 -8.318 -11.669 1.00 3.93 H new ATOM 0 HH12 ARG A 42 -10.086 -8.918 -13.054 1.00 3.93 H new ATOM 0 HH21 ARG A 42 -8.464 -11.997 -13.196 1.00 4.66 H new ATOM 0 HH22 ARG A 42 -9.698 -10.943 -13.894 1.00 4.66 H new ATOM 631 N VAL A 43 -3.537 -7.365 -7.026 1.00 0.54 N ATOM 632 CA VAL A 43 -3.366 -6.213 -6.131 1.00 0.48 C ATOM 633 C VAL A 43 -3.917 -4.963 -6.833 1.00 0.59 C ATOM 634 O VAL A 43 -3.972 -4.943 -8.065 1.00 0.91 O ATOM 635 CB VAL A 43 -1.888 -6.059 -5.705 1.00 0.51 C ATOM 636 CG1 VAL A 43 -0.944 -5.788 -6.882 1.00 0.65 C ATOM 637 CG2 VAL A 43 -1.678 -4.985 -4.632 1.00 0.64 C ATOM 0 H VAL A 43 -3.320 -7.130 -7.995 1.00 0.54 H new ATOM 0 HA VAL A 43 -3.927 -6.364 -5.209 1.00 0.48 H new ATOM 0 HB VAL A 43 -1.635 -7.029 -5.277 1.00 0.51 H new ATOM 0 HG11 VAL A 43 0.077 -5.690 -6.514 1.00 0.65 H new ATOM 0 HG12 VAL A 43 -0.997 -6.616 -7.589 1.00 0.65 H new ATOM 0 HG13 VAL A 43 -1.240 -4.865 -7.381 1.00 0.65 H new ATOM 0 HG21 VAL A 43 -0.620 -4.927 -4.377 1.00 0.64 H new ATOM 0 HG22 VAL A 43 -2.013 -4.020 -5.013 1.00 0.64 H new ATOM 0 HG23 VAL A 43 -2.252 -5.243 -3.742 1.00 0.64 H new ATOM 647 N GLU A 44 -4.364 -3.977 -6.062 1.00 0.51 N ATOM 648 CA GLU A 44 -5.175 -2.835 -6.498 1.00 0.46 C ATOM 649 C GLU A 44 -4.876 -1.644 -5.565 1.00 0.44 C ATOM 650 O GLU A 44 -4.540 -1.864 -4.398 1.00 0.52 O ATOM 651 CB GLU A 44 -6.654 -3.285 -6.463 1.00 0.69 C ATOM 652 CG GLU A 44 -7.487 -2.836 -7.668 1.00 1.28 C ATOM 653 CD GLU A 44 -8.174 -1.513 -7.369 1.00 2.70 C ATOM 654 OE1 GLU A 44 -7.461 -0.492 -7.387 1.00 4.26 O ATOM 655 OE2 GLU A 44 -9.379 -1.560 -7.037 1.00 3.12 O ATOM 0 H GLU A 44 -4.162 -3.947 -5.063 1.00 0.51 H new ATOM 0 HA GLU A 44 -4.945 -2.509 -7.512 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -6.688 -4.373 -6.400 1.00 0.69 H new ATOM 0 HB3 GLU A 44 -7.116 -2.899 -5.555 1.00 0.69 H new ATOM 0 HG2 GLU A 44 -6.846 -2.731 -8.543 1.00 1.28 H new ATOM 0 HG3 GLU A 44 -8.232 -3.595 -7.907 1.00 1.28 H new ATOM 662 N LEU A 45 -4.920 -0.399 -6.053 1.00 0.56 N ATOM 663 CA LEU A 45 -4.346 0.768 -5.364 1.00 0.48 C ATOM 664 C LEU A 45 -5.452 1.704 -4.872 1.00 0.41 C ATOM 665 O LEU A 45 -6.110 2.384 -5.660 1.00 0.54 O ATOM 666 CB LEU A 45 -3.358 1.472 -6.315 1.00 0.68 C ATOM 667 CG LEU A 45 -2.753 2.784 -5.767 1.00 0.46 C ATOM 668 CD1 LEU A 45 -1.929 2.619 -4.484 1.00 0.61 C ATOM 669 CD2 LEU A 45 -1.846 3.394 -6.840 1.00 0.82 C ATOM 0 H LEU A 45 -5.358 -0.169 -6.945 1.00 0.56 H new ATOM 0 HA LEU A 45 -3.798 0.448 -4.478 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -2.546 0.783 -6.547 1.00 0.68 H new ATOM 0 HB3 LEU A 45 -3.870 1.688 -7.253 1.00 0.68 H new ATOM 0 HG LEU A 45 -3.599 3.424 -5.516 1.00 0.46 H new ATOM 0 HD11 LEU A 45 -1.543 3.590 -4.172 1.00 0.61 H new ATOM 0 HD12 LEU A 45 -2.561 2.209 -3.696 1.00 0.61 H new ATOM 0 HD13 LEU A 45 -1.096 1.941 -4.671 1.00 0.61 H new ATOM 0 HD21 LEU A 45 -1.412 4.321 -6.466 1.00 0.82 H new ATOM 0 HD22 LEU A 45 -1.048 2.693 -7.084 1.00 0.82 H new ATOM 0 HD23 LEU A 45 -2.431 3.603 -7.735 1.00 0.82 H new ATOM 681 N HIS A 46 -5.637 1.766 -3.554 1.00 0.37 N ATOM 682 CA HIS A 46 -6.740 2.491 -2.927 1.00 0.36 C ATOM 683 C HIS A 46 -6.285 3.642 -2.026 1.00 0.42 C ATOM 684 O HIS A 46 -5.233 3.615 -1.379 1.00 0.52 O ATOM 685 CB HIS A 46 -7.583 1.526 -2.088 1.00 0.38 C ATOM 686 CG HIS A 46 -8.365 0.475 -2.823 1.00 0.41 C ATOM 687 ND1 HIS A 46 -9.092 -0.528 -2.202 1.00 0.51 N ATOM 688 CD2 HIS A 46 -8.460 0.275 -4.169 1.00 0.44 C ATOM 689 CE1 HIS A 46 -9.559 -1.330 -3.158 1.00 0.58 C ATOM 690 NE2 HIS A 46 -9.227 -0.847 -4.365 1.00 0.56 N ATOM 0 H HIS A 46 -5.018 1.309 -2.885 1.00 0.37 H new ATOM 0 HA HIS A 46 -7.319 2.923 -3.743 1.00 0.36 H new ATOM 0 HB2 HIS A 46 -6.919 1.022 -1.385 1.00 0.38 H new ATOM 0 HB3 HIS A 46 -8.284 2.116 -1.498 1.00 0.38 H new ATOM 0 HD2 HIS A 46 -8.014 0.887 -4.939 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -10.122 -2.236 -2.987 1.00 0.58 H new ATOM 0 HE2 HIS A 46 -9.496 -1.242 -5.266 1.00 0.56 H new ATOM 698 N GLU A 47 -7.187 4.605 -1.907 1.00 0.41 N ATOM 699 CA GLU A 47 -7.179 5.620 -0.870 1.00 0.46 C ATOM 700 C GLU A 47 -8.328 5.416 0.134 1.00 0.46 C ATOM 701 O GLU A 47 -9.128 4.478 0.016 1.00 0.58 O ATOM 702 CB GLU A 47 -7.192 6.996 -1.527 1.00 0.52 C ATOM 703 CG GLU A 47 -8.494 7.273 -2.269 1.00 0.55 C ATOM 704 CD GLU A 47 -8.750 8.764 -2.316 1.00 1.11 C ATOM 705 OE1 GLU A 47 -8.074 9.477 -3.084 1.00 2.48 O ATOM 706 OE2 GLU A 47 -9.711 9.205 -1.654 1.00 2.00 O ATOM 0 H GLU A 47 -7.970 4.702 -2.553 1.00 0.41 H new ATOM 0 HA GLU A 47 -6.267 5.536 -0.279 1.00 0.46 H new ATOM 0 HB2 GLU A 47 -7.041 7.761 -0.765 1.00 0.52 H new ATOM 0 HB3 GLU A 47 -6.357 7.071 -2.224 1.00 0.52 H new ATOM 0 HG2 GLU A 47 -8.439 6.872 -3.281 1.00 0.55 H new ATOM 0 HG3 GLU A 47 -9.322 6.768 -1.771 1.00 0.55 H new ATOM 713 N THR A 48 -8.393 6.257 1.170 1.00 0.55 N ATOM 714 CA THR A 48 -9.266 6.092 2.340 1.00 0.52 C ATOM 715 C THR A 48 -9.548 7.486 2.898 1.00 0.65 C ATOM 716 O THR A 48 -8.667 8.093 3.503 1.00 1.20 O ATOM 717 CB THR A 48 -8.552 5.197 3.359 1.00 0.58 C ATOM 718 OG1 THR A 48 -8.399 3.940 2.738 1.00 0.78 O ATOM 719 CG2 THR A 48 -9.316 5.005 4.666 1.00 0.74 C ATOM 0 H THR A 48 -7.821 7.100 1.221 1.00 0.55 H new ATOM 0 HA THR A 48 -10.213 5.615 2.087 1.00 0.52 H new ATOM 0 HB THR A 48 -7.610 5.673 3.632 1.00 0.58 H new ATOM 0 HG1 THR A 48 -7.943 3.326 3.351 1.00 0.78 H new ATOM 0 HG21 THR A 48 -8.742 4.360 5.331 1.00 0.74 H new ATOM 0 HG22 THR A 48 -9.470 5.973 5.143 1.00 0.74 H new ATOM 0 HG23 THR A 48 -10.282 4.545 4.458 1.00 0.74 H new ATOM 727 N PHE A 49 -10.741 8.008 2.629 1.00 0.49 N ATOM 728 CA PHE A 49 -11.088 9.418 2.825 1.00 0.49 C ATOM 729 C PHE A 49 -12.019 9.660 4.016 1.00 0.51 C ATOM 730 O PHE A 49 -12.698 8.761 4.511 1.00 0.50 O ATOM 731 CB PHE A 49 -11.696 9.977 1.524 1.00 0.59 C ATOM 732 CG PHE A 49 -12.968 9.303 1.026 1.00 0.63 C ATOM 733 CD1 PHE A 49 -14.197 9.612 1.637 1.00 2.14 C ATOM 734 CD2 PHE A 49 -12.948 8.404 -0.062 1.00 1.65 C ATOM 735 CE1 PHE A 49 -15.392 9.039 1.175 1.00 2.27 C ATOM 736 CE2 PHE A 49 -14.149 7.839 -0.535 1.00 1.62 C ATOM 737 CZ PHE A 49 -15.374 8.168 0.076 1.00 0.92 C ATOM 0 H PHE A 49 -11.513 7.453 2.260 1.00 0.49 H new ATOM 0 HA PHE A 49 -10.167 9.949 3.066 1.00 0.49 H new ATOM 0 HB2 PHE A 49 -11.906 11.036 1.673 1.00 0.59 H new ATOM 0 HB3 PHE A 49 -10.943 9.909 0.738 1.00 0.59 H new ATOM 0 HD1 PHE A 49 -14.221 10.298 2.471 1.00 2.14 H new ATOM 0 HD2 PHE A 49 -12.010 8.149 -0.533 1.00 1.65 H new ATOM 0 HE1 PHE A 49 -16.326 9.269 1.666 1.00 2.27 H new ATOM 0 HE2 PHE A 49 -14.130 7.152 -1.368 1.00 1.62 H new ATOM 0 HZ PHE A 49 -16.297 7.751 -0.300 1.00 0.92 H new ATOM 747 N MET A 50 -12.117 10.928 4.421 1.00 0.69 N ATOM 748 CA MET A 50 -13.150 11.447 5.334 1.00 0.80 C ATOM 749 C MET A 50 -14.242 12.188 4.548 1.00 0.79 C ATOM 750 O MET A 50 -13.981 12.706 3.463 1.00 0.69 O ATOM 751 CB MET A 50 -12.526 12.367 6.393 1.00 0.94 C ATOM 752 CG MET A 50 -11.722 11.571 7.425 1.00 2.41 C ATOM 753 SD MET A 50 -11.052 12.595 8.757 1.00 2.97 S ATOM 754 CE MET A 50 -9.339 12.728 8.194 1.00 4.82 C ATOM 0 H MET A 50 -11.462 11.648 4.116 1.00 0.69 H new ATOM 0 HA MET A 50 -13.610 10.602 5.846 1.00 0.80 H new ATOM 0 HB2 MET A 50 -11.876 13.095 5.907 1.00 0.94 H new ATOM 0 HB3 MET A 50 -13.312 12.929 6.897 1.00 0.94 H new ATOM 0 HG2 MET A 50 -12.360 10.799 7.856 1.00 2.41 H new ATOM 0 HG3 MET A 50 -10.901 11.061 6.921 1.00 2.41 H new ATOM 0 HE1 MET A 50 -8.770 13.332 8.901 1.00 4.82 H new ATOM 0 HE2 MET A 50 -8.899 11.733 8.130 1.00 4.82 H new ATOM 0 HE3 MET A 50 -9.314 13.200 7.212 1.00 4.82 H new ATOM 764 N ARG A 51 -15.474 12.186 5.065 1.00 0.98 N ATOM 765 CA ARG A 51 -16.672 12.643 4.348 1.00 0.88 C ATOM 766 C ARG A 51 -17.783 13.045 5.334 1.00 0.88 C ATOM 767 O ARG A 51 -17.828 12.554 6.462 1.00 1.04 O ATOM 768 CB ARG A 51 -17.119 11.533 3.370 1.00 1.02 C ATOM 769 CG ARG A 51 -17.440 12.010 1.940 1.00 1.56 C ATOM 770 CD ARG A 51 -18.924 12.320 1.786 1.00 2.27 C ATOM 771 NE ARG A 51 -19.282 12.623 0.391 1.00 3.19 N ATOM 772 CZ ARG A 51 -20.439 13.151 -0.001 1.00 4.15 C ATOM 773 NH1 ARG A 51 -21.377 13.495 0.859 1.00 4.48 N ATOM 774 NH2 ARG A 51 -20.674 13.343 -1.282 1.00 5.30 N ATOM 0 H ARG A 51 -15.672 11.861 6.011 1.00 0.98 H new ATOM 0 HA ARG A 51 -16.444 13.538 3.770 1.00 0.88 H new ATOM 0 HB2 ARG A 51 -16.333 10.779 3.317 1.00 1.02 H new ATOM 0 HB3 ARG A 51 -18.003 11.044 3.780 1.00 1.02 H new ATOM 0 HG2 ARG A 51 -16.854 12.899 1.710 1.00 1.56 H new ATOM 0 HG3 ARG A 51 -17.149 11.242 1.223 1.00 1.56 H new ATOM 0 HD2 ARG A 51 -19.510 11.469 2.134 1.00 2.27 H new ATOM 0 HD3 ARG A 51 -19.185 13.168 2.420 1.00 2.27 H new ATOM 0 HE ARG A 51 -18.591 12.412 -0.330 1.00 3.19 H new ATOM 0 HH11 ARG A 51 -21.227 13.359 1.859 1.00 4.48 H new ATOM 0 HH12 ARG A 51 -22.253 13.897 0.525 1.00 4.48 H new ATOM 0 HH21 ARG A 51 -19.969 13.087 -1.974 1.00 5.30 H new ATOM 0 HH22 ARG A 51 -21.561 13.748 -1.583 1.00 5.30 H new ATOM 788 N GLU A 52 -18.715 13.898 4.918 1.00 0.85 N ATOM 789 CA GLU A 52 -19.944 14.220 5.625 1.00 0.95 C ATOM 790 C GLU A 52 -21.122 13.603 4.866 1.00 1.08 C ATOM 791 O GLU A 52 -21.121 13.611 3.634 1.00 1.23 O ATOM 792 CB GLU A 52 -20.072 15.745 5.590 1.00 1.18 C ATOM 793 CG GLU A 52 -21.327 16.277 6.275 1.00 1.25 C ATOM 794 CD GLU A 52 -21.092 16.545 7.748 1.00 1.56 C ATOM 795 OE1 GLU A 52 -20.820 15.588 8.497 1.00 1.98 O ATOM 796 OE2 GLU A 52 -21.206 17.703 8.191 1.00 2.64 O ATOM 0 H GLU A 52 -18.627 14.405 4.038 1.00 0.85 H new ATOM 0 HA GLU A 52 -19.936 13.842 6.647 1.00 0.95 H new ATOM 0 HB2 GLU A 52 -19.196 16.184 6.067 1.00 1.18 H new ATOM 0 HB3 GLU A 52 -20.069 16.076 4.552 1.00 1.18 H new ATOM 0 HG2 GLU A 52 -21.647 17.196 5.785 1.00 1.25 H new ATOM 0 HG3 GLU A 52 -22.137 15.556 6.161 1.00 1.25 H new ATOM 803 N VAL A 53 -22.155 13.156 5.566 1.00 1.17 N ATOM 804 CA VAL A 53 -23.491 12.941 4.991 1.00 1.44 C ATOM 805 C VAL A 53 -24.527 13.088 6.102 1.00 1.50 C ATOM 806 O VAL A 53 -24.269 12.648 7.215 1.00 1.95 O ATOM 807 CB VAL A 53 -23.583 11.592 4.234 1.00 1.58 C ATOM 808 CG1 VAL A 53 -23.130 10.395 5.081 1.00 2.50 C ATOM 809 CG2 VAL A 53 -24.985 11.363 3.652 1.00 2.99 C ATOM 0 H VAL A 53 -22.097 12.928 6.558 1.00 1.17 H new ATOM 0 HA VAL A 53 -23.696 13.696 4.232 1.00 1.44 H new ATOM 0 HB VAL A 53 -22.881 11.666 3.403 1.00 1.58 H new ATOM 0 HG11 VAL A 53 -23.218 9.480 4.495 1.00 2.50 H new ATOM 0 HG12 VAL A 53 -22.092 10.534 5.382 1.00 2.50 H new ATOM 0 HG13 VAL A 53 -23.758 10.319 5.969 1.00 2.50 H new ATOM 0 HG21 VAL A 53 -25.010 10.407 3.129 1.00 2.99 H new ATOM 0 HG22 VAL A 53 -25.717 11.354 4.459 1.00 2.99 H new ATOM 0 HG23 VAL A 53 -25.225 12.165 2.954 1.00 2.99 H new ATOM 819 N GLU A 54 -25.641 13.783 5.834 1.00 1.56 N ATOM 820 CA GLU A 54 -26.735 14.027 6.799 1.00 1.70 C ATOM 821 C GLU A 54 -26.310 14.954 7.972 1.00 1.61 C ATOM 822 O GLU A 54 -26.943 14.986 9.028 1.00 1.73 O ATOM 823 CB GLU A 54 -27.293 12.667 7.273 1.00 1.82 C ATOM 824 CG GLU A 54 -28.742 12.703 7.763 1.00 2.70 C ATOM 825 CD GLU A 54 -29.073 11.394 8.468 1.00 3.09 C ATOM 826 OE1 GLU A 54 -28.651 11.269 9.644 1.00 3.89 O ATOM 827 OE2 GLU A 54 -29.731 10.540 7.845 1.00 3.45 O ATOM 0 H GLU A 54 -25.816 14.203 4.921 1.00 1.56 H new ATOM 0 HA GLU A 54 -27.532 14.576 6.299 1.00 1.70 H new ATOM 0 HB2 GLU A 54 -27.220 11.954 6.452 1.00 1.82 H new ATOM 0 HB3 GLU A 54 -26.661 12.292 8.078 1.00 1.82 H new ATOM 0 HG2 GLU A 54 -28.886 13.542 8.444 1.00 2.70 H new ATOM 0 HG3 GLU A 54 -29.418 12.856 6.922 1.00 2.70 H new ATOM 834 N GLY A 55 -25.195 15.686 7.818 1.00 1.49 N ATOM 835 CA GLY A 55 -24.540 16.440 8.901 1.00 1.51 C ATOM 836 C GLY A 55 -23.706 15.557 9.839 1.00 1.34 C ATOM 837 O GLY A 55 -23.385 15.963 10.958 1.00 1.52 O ATOM 0 H GLY A 55 -24.715 15.772 6.922 1.00 1.49 H new ATOM 0 HA2 GLY A 55 -23.896 17.203 8.464 1.00 1.51 H new ATOM 0 HA3 GLY A 55 -25.301 16.960 9.484 1.00 1.51 H new ATOM 841 N LYS A 56 -23.370 14.341 9.400 1.00 1.15 N ATOM 842 CA LYS A 56 -22.718 13.281 10.163 1.00 1.10 C ATOM 843 C LYS A 56 -21.397 12.910 9.479 1.00 1.02 C ATOM 844 O LYS A 56 -21.330 12.596 8.282 1.00 1.05 O ATOM 845 CB LYS A 56 -23.624 12.037 10.315 1.00 1.18 C ATOM 846 CG LYS A 56 -25.111 12.315 10.603 1.00 1.33 C ATOM 847 CD LYS A 56 -25.395 13.003 11.946 1.00 2.48 C ATOM 848 CE LYS A 56 -26.774 13.677 11.945 1.00 3.22 C ATOM 849 NZ LYS A 56 -27.881 12.732 11.665 1.00 3.21 N ATOM 0 H LYS A 56 -23.560 14.055 8.439 1.00 1.15 H new ATOM 0 HA LYS A 56 -22.521 13.651 11.169 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -23.556 11.449 9.400 1.00 1.18 H new ATOM 0 HB3 LYS A 56 -23.228 11.420 11.121 1.00 1.18 H new ATOM 0 HG2 LYS A 56 -25.510 12.937 9.802 1.00 1.33 H new ATOM 0 HG3 LYS A 56 -25.654 11.370 10.574 1.00 1.33 H new ATOM 0 HD2 LYS A 56 -25.347 12.269 12.751 1.00 2.48 H new ATOM 0 HD3 LYS A 56 -24.624 13.747 12.146 1.00 2.48 H new ATOM 0 HE2 LYS A 56 -26.942 14.148 12.913 1.00 3.22 H new ATOM 0 HE3 LYS A 56 -26.784 14.471 11.198 1.00 3.22 H new ATOM 0 HZ1 LYS A 56 -28.790 13.191 11.875 1.00 3.21 H new ATOM 0 HZ2 LYS A 56 -27.856 12.455 10.663 1.00 3.21 H new ATOM 0 HZ3 LYS A 56 -27.774 11.886 12.260 1.00 3.21 H new ATOM 863 N LYS A 57 -20.337 12.949 10.278 1.00 1.08 N ATOM 864 CA LYS A 57 -18.961 12.671 9.896 1.00 1.11 C ATOM 865 C LYS A 57 -18.798 11.156 9.680 1.00 0.99 C ATOM 866 O LYS A 57 -19.040 10.378 10.596 1.00 1.08 O ATOM 867 CB LYS A 57 -17.985 13.186 10.984 1.00 1.39 C ATOM 868 CG LYS A 57 -18.407 14.399 11.840 1.00 1.88 C ATOM 869 CD LYS A 57 -18.797 15.666 11.059 1.00 2.16 C ATOM 870 CE LYS A 57 -20.106 16.236 11.634 1.00 2.68 C ATOM 871 NZ LYS A 57 -20.700 17.272 10.765 1.00 3.04 N ATOM 0 H LYS A 57 -20.422 13.189 11.266 1.00 1.08 H new ATOM 0 HA LYS A 57 -18.724 13.190 8.967 1.00 1.11 H new ATOM 0 HB2 LYS A 57 -17.778 12.358 11.662 1.00 1.39 H new ATOM 0 HB3 LYS A 57 -17.045 13.438 10.493 1.00 1.39 H new ATOM 0 HG2 LYS A 57 -19.252 14.104 12.463 1.00 1.88 H new ATOM 0 HG3 LYS A 57 -17.587 14.648 12.513 1.00 1.88 H new ATOM 0 HD2 LYS A 57 -18.002 16.409 11.128 1.00 2.16 H new ATOM 0 HD3 LYS A 57 -18.923 15.431 10.002 1.00 2.16 H new ATOM 0 HE2 LYS A 57 -20.822 15.426 11.771 1.00 2.68 H new ATOM 0 HE3 LYS A 57 -19.912 16.660 12.619 1.00 2.68 H new ATOM 0 HZ1 LYS A 57 -21.736 17.187 10.782 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -20.424 18.214 11.109 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -20.358 17.146 9.791 1.00 3.04 H new ATOM 885 N VAL A 58 -18.391 10.752 8.485 1.00 0.93 N ATOM 886 CA VAL A 58 -18.145 9.374 8.074 1.00 0.99 C ATOM 887 C VAL A 58 -16.790 9.259 7.354 1.00 1.05 C ATOM 888 O VAL A 58 -16.089 10.254 7.158 1.00 1.56 O ATOM 889 CB VAL A 58 -19.299 8.879 7.175 1.00 1.13 C ATOM 890 CG1 VAL A 58 -20.651 8.860 7.905 1.00 2.23 C ATOM 891 CG2 VAL A 58 -19.422 9.644 5.849 1.00 2.85 C ATOM 0 H VAL A 58 -18.213 11.415 7.731 1.00 0.93 H new ATOM 0 HA VAL A 58 -18.104 8.741 8.960 1.00 0.99 H new ATOM 0 HB VAL A 58 -19.028 7.852 6.928 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -21.426 8.504 7.226 1.00 2.23 H new ATOM 0 HG12 VAL A 58 -20.590 8.195 8.767 1.00 2.23 H new ATOM 0 HG13 VAL A 58 -20.897 9.867 8.241 1.00 2.23 H new ATOM 0 HG21 VAL A 58 -20.254 9.240 5.272 1.00 2.85 H new ATOM 0 HG22 VAL A 58 -19.601 10.700 6.053 1.00 2.85 H new ATOM 0 HG23 VAL A 58 -18.499 9.536 5.280 1.00 2.85 H new ATOM 901 N MET A 59 -16.435 8.047 6.926 1.00 0.81 N ATOM 902 CA MET A 59 -15.266 7.755 6.085 1.00 0.70 C ATOM 903 C MET A 59 -15.653 6.885 4.887 1.00 0.64 C ATOM 904 O MET A 59 -16.774 6.380 4.815 1.00 0.75 O ATOM 905 CB MET A 59 -14.173 7.062 6.916 1.00 0.76 C ATOM 906 CG MET A 59 -13.497 8.060 7.861 1.00 0.87 C ATOM 907 SD MET A 59 -12.264 7.327 8.959 1.00 2.01 S ATOM 908 CE MET A 59 -12.143 8.657 10.183 1.00 2.57 C ATOM 0 H MET A 59 -16.969 7.211 7.162 1.00 0.81 H new ATOM 0 HA MET A 59 -14.877 8.700 5.705 1.00 0.70 H new ATOM 0 HB2 MET A 59 -14.610 6.246 7.492 1.00 0.76 H new ATOM 0 HB3 MET A 59 -13.429 6.621 6.252 1.00 0.76 H new ATOM 0 HG2 MET A 59 -13.020 8.839 7.267 1.00 0.87 H new ATOM 0 HG3 MET A 59 -14.263 8.545 8.466 1.00 0.87 H new ATOM 0 HE1 MET A 59 -11.094 8.874 10.382 1.00 2.57 H new ATOM 0 HE2 MET A 59 -12.632 9.552 9.797 1.00 2.57 H new ATOM 0 HE3 MET A 59 -12.631 8.347 11.107 1.00 2.57 H new ATOM 918 N GLY A 60 -14.722 6.722 3.949 1.00 0.54 N ATOM 919 CA GLY A 60 -14.871 5.861 2.782 1.00 0.56 C ATOM 920 C GLY A 60 -13.537 5.392 2.217 1.00 0.49 C ATOM 921 O GLY A 60 -12.478 5.698 2.755 1.00 0.47 O ATOM 0 H GLY A 60 -13.821 7.198 3.982 1.00 0.54 H new ATOM 0 HA2 GLY A 60 -15.471 4.992 3.052 1.00 0.56 H new ATOM 0 HA3 GLY A 60 -15.419 6.398 2.008 1.00 0.56 H new ATOM 925 N MET A 61 -13.593 4.633 1.130 1.00 0.52 N ATOM 926 CA MET A 61 -12.443 4.105 0.387 1.00 0.45 C ATOM 927 C MET A 61 -12.794 4.112 -1.103 1.00 0.46 C ATOM 928 O MET A 61 -13.962 3.969 -1.463 1.00 0.61 O ATOM 929 CB MET A 61 -12.127 2.697 0.929 1.00 0.58 C ATOM 930 CG MET A 61 -11.205 1.822 0.059 1.00 0.65 C ATOM 931 SD MET A 61 -11.157 0.034 0.446 1.00 0.63 S ATOM 932 CE MET A 61 -11.499 -0.017 2.221 1.00 1.16 C ATOM 0 H MET A 61 -14.483 4.352 0.718 1.00 0.52 H new ATOM 0 HA MET A 61 -11.548 4.713 0.515 1.00 0.45 H new ATOM 0 HB2 MET A 61 -11.669 2.804 1.912 1.00 0.58 H new ATOM 0 HB3 MET A 61 -13.068 2.166 1.071 1.00 0.58 H new ATOM 0 HG2 MET A 61 -11.511 1.936 -0.981 1.00 0.65 H new ATOM 0 HG3 MET A 61 -10.191 2.214 0.138 1.00 0.65 H new ATOM 0 HE1 MET A 61 -11.389 -1.039 2.583 1.00 1.16 H new ATOM 0 HE2 MET A 61 -10.797 0.631 2.746 1.00 1.16 H new ATOM 0 HE3 MET A 61 -12.517 0.326 2.405 1.00 1.16 H new ATOM 942 N ARG A 62 -11.786 4.269 -1.962 1.00 0.40 N ATOM 943 CA ARG A 62 -11.932 4.254 -3.425 1.00 0.43 C ATOM 944 C ARG A 62 -10.579 3.944 -4.085 1.00 0.41 C ATOM 945 O ARG A 62 -9.547 4.210 -3.457 1.00 0.41 O ATOM 946 CB ARG A 62 -12.552 5.580 -3.925 1.00 0.58 C ATOM 947 CG ARG A 62 -11.703 6.819 -3.619 1.00 1.60 C ATOM 948 CD ARG A 62 -12.386 8.117 -4.067 1.00 2.02 C ATOM 949 NE ARG A 62 -11.564 9.261 -3.666 1.00 3.07 N ATOM 950 CZ ARG A 62 -11.249 10.351 -4.345 1.00 3.99 C ATOM 951 NH1 ARG A 62 -11.932 10.759 -5.397 1.00 4.10 N ATOM 952 NH2 ARG A 62 -10.207 11.040 -3.946 1.00 4.95 N ATOM 0 H ARG A 62 -10.823 4.413 -1.657 1.00 0.40 H new ATOM 0 HA ARG A 62 -12.622 3.461 -3.714 1.00 0.43 H new ATOM 0 HB2 ARG A 62 -12.705 5.514 -5.002 1.00 0.58 H new ATOM 0 HB3 ARG A 62 -13.535 5.704 -3.470 1.00 0.58 H new ATOM 0 HG2 ARG A 62 -11.505 6.866 -2.548 1.00 1.60 H new ATOM 0 HG3 ARG A 62 -10.738 6.728 -4.118 1.00 1.60 H new ATOM 0 HD2 ARG A 62 -12.523 8.115 -5.148 1.00 2.02 H new ATOM 0 HD3 ARG A 62 -13.377 8.193 -3.620 1.00 2.02 H new ATOM 0 HE ARG A 62 -11.177 9.209 -2.724 1.00 3.07 H new ATOM 0 HH11 ARG A 62 -12.741 10.227 -5.718 1.00 4.10 H new ATOM 0 HH12 ARG A 62 -11.651 11.607 -5.890 1.00 4.10 H new ATOM 0 HH21 ARG A 62 -9.670 10.729 -3.136 1.00 4.95 H new ATOM 0 HH22 ARG A 62 -9.934 11.886 -4.445 1.00 4.95 H new ATOM 966 N PRO A 63 -10.554 3.371 -5.303 1.00 0.45 N ATOM 967 CA PRO A 63 -9.319 3.151 -6.033 1.00 0.46 C ATOM 968 C PRO A 63 -8.797 4.457 -6.632 1.00 0.48 C ATOM 969 O PRO A 63 -9.546 5.419 -6.800 1.00 0.55 O ATOM 970 CB PRO A 63 -9.654 2.110 -7.094 1.00 0.50 C ATOM 971 CG PRO A 63 -11.107 2.436 -7.430 1.00 0.53 C ATOM 972 CD PRO A 63 -11.680 2.851 -6.071 1.00 0.50 C ATOM 0 HA PRO A 63 -8.515 2.795 -5.388 1.00 0.46 H new ATOM 0 HB2 PRO A 63 -9.006 2.197 -7.966 1.00 0.50 H new ATOM 0 HB3 PRO A 63 -9.543 1.094 -6.715 1.00 0.50 H new ATOM 0 HG2 PRO A 63 -11.183 3.238 -8.164 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.630 1.574 -7.844 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.455 3.608 -6.189 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -12.139 2.002 -5.565 1.00 0.50 H new ATOM 980 N VAL A 64 -7.504 4.463 -6.948 1.00 0.44 N ATOM 981 CA VAL A 64 -6.746 5.617 -7.456 1.00 0.45 C ATOM 982 C VAL A 64 -5.637 5.136 -8.411 1.00 0.49 C ATOM 983 O VAL A 64 -5.203 3.989 -8.302 1.00 0.49 O ATOM 984 CB VAL A 64 -6.154 6.489 -6.313 1.00 0.47 C ATOM 985 CG1 VAL A 64 -7.086 7.665 -5.982 1.00 0.86 C ATOM 986 CG2 VAL A 64 -5.829 5.720 -5.024 1.00 1.06 C ATOM 0 H VAL A 64 -6.925 3.629 -6.855 1.00 0.44 H new ATOM 0 HA VAL A 64 -7.441 6.253 -8.003 1.00 0.45 H new ATOM 0 HB VAL A 64 -5.204 6.852 -6.705 1.00 0.47 H new ATOM 0 HG11 VAL A 64 -6.650 8.260 -5.180 1.00 0.86 H new ATOM 0 HG12 VAL A 64 -7.214 8.288 -6.867 1.00 0.86 H new ATOM 0 HG13 VAL A 64 -8.056 7.282 -5.664 1.00 0.86 H new ATOM 0 HG21 VAL A 64 -5.421 6.408 -4.283 1.00 1.06 H new ATOM 0 HG22 VAL A 64 -6.739 5.263 -4.634 1.00 1.06 H new ATOM 0 HG23 VAL A 64 -5.096 4.942 -5.239 1.00 1.06 H new ATOM 996 N PRO A 65 -5.207 5.966 -9.385 1.00 0.55 N ATOM 997 CA PRO A 65 -4.492 5.498 -10.572 1.00 0.56 C ATOM 998 C PRO A 65 -2.992 5.310 -10.347 1.00 0.48 C ATOM 999 O PRO A 65 -2.391 4.500 -11.048 1.00 0.45 O ATOM 1000 CB PRO A 65 -4.771 6.566 -11.633 1.00 0.66 C ATOM 1001 CG PRO A 65 -4.860 7.853 -10.814 1.00 0.69 C ATOM 1002 CD PRO A 65 -5.522 7.383 -9.520 1.00 0.64 C ATOM 0 HA PRO A 65 -4.836 4.507 -10.867 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -3.974 6.615 -12.375 1.00 0.66 H new ATOM 0 HB3 PRO A 65 -5.697 6.366 -12.172 1.00 0.66 H new ATOM 0 HG2 PRO A 65 -3.876 8.286 -10.632 1.00 0.69 H new ATOM 0 HG3 PRO A 65 -5.454 8.614 -11.319 1.00 0.69 H new ATOM 0 HD2 PRO A 65 -5.147 7.947 -8.666 1.00 0.64 H new ATOM 0 HD3 PRO A 65 -6.600 7.539 -9.557 1.00 0.64 H new ATOM 1010 N PHE A 66 -2.402 6.045 -9.397 1.00 0.46 N ATOM 1011 CA PHE A 66 -0.971 6.030 -9.062 1.00 0.40 C ATOM 1012 C PHE A 66 -0.652 6.956 -7.880 1.00 0.45 C ATOM 1013 O PHE A 66 -1.441 7.837 -7.528 1.00 0.54 O ATOM 1014 CB PHE A 66 -0.103 6.407 -10.279 1.00 0.39 C ATOM 1015 CG PHE A 66 -0.326 7.813 -10.791 1.00 0.44 C ATOM 1016 CD1 PHE A 66 0.363 8.882 -10.198 1.00 2.09 C ATOM 1017 CD2 PHE A 66 -1.255 8.062 -11.817 1.00 1.78 C ATOM 1018 CE1 PHE A 66 0.106 10.201 -10.592 1.00 2.15 C ATOM 1019 CE2 PHE A 66 -1.494 9.382 -12.238 1.00 1.76 C ATOM 1020 CZ PHE A 66 -0.818 10.454 -11.620 1.00 0.57 C ATOM 0 H PHE A 66 -2.931 6.695 -8.815 1.00 0.46 H new ATOM 0 HA PHE A 66 -0.730 5.009 -8.768 1.00 0.40 H new ATOM 0 HB2 PHE A 66 0.947 6.293 -10.011 1.00 0.39 H new ATOM 0 HB3 PHE A 66 -0.304 5.703 -11.086 1.00 0.39 H new ATOM 0 HD1 PHE A 66 1.098 8.686 -9.431 1.00 2.09 H new ATOM 0 HD2 PHE A 66 -1.783 7.242 -12.280 1.00 1.78 H new ATOM 0 HE1 PHE A 66 0.616 11.021 -10.108 1.00 2.15 H new ATOM 0 HE2 PHE A 66 -2.196 9.575 -13.036 1.00 1.76 H new ATOM 0 HZ PHE A 66 -1.010 11.469 -11.936 1.00 0.57 H new ATOM 1030 N LEU A 67 0.554 6.795 -7.326 1.00 0.46 N ATOM 1031 CA LEU A 67 1.232 7.771 -6.474 1.00 0.55 C ATOM 1032 C LEU A 67 2.434 8.376 -7.211 1.00 0.56 C ATOM 1033 O LEU A 67 3.033 7.720 -8.059 1.00 0.52 O ATOM 1034 CB LEU A 67 1.732 7.107 -5.173 1.00 0.61 C ATOM 1035 CG LEU A 67 0.710 6.299 -4.348 1.00 0.62 C ATOM 1036 CD1 LEU A 67 1.350 5.913 -3.011 1.00 0.72 C ATOM 1037 CD2 LEU A 67 -0.576 7.081 -4.070 1.00 0.70 C ATOM 0 H LEU A 67 1.104 5.947 -7.466 1.00 0.46 H new ATOM 0 HA LEU A 67 0.515 8.554 -6.229 1.00 0.55 H new ATOM 0 HB2 LEU A 67 2.557 6.443 -5.430 1.00 0.61 H new ATOM 0 HB3 LEU A 67 2.140 7.888 -4.532 1.00 0.61 H new ATOM 0 HG LEU A 67 0.440 5.419 -4.932 1.00 0.62 H new ATOM 0 HD11 LEU A 67 0.637 5.341 -2.418 1.00 0.72 H new ATOM 0 HD12 LEU A 67 2.238 5.308 -3.194 1.00 0.72 H new ATOM 0 HD13 LEU A 67 1.632 6.815 -2.468 1.00 0.72 H new ATOM 0 HD21 LEU A 67 -1.258 6.463 -3.486 1.00 0.70 H new ATOM 0 HD22 LEU A 67 -0.338 7.986 -3.511 1.00 0.70 H new ATOM 0 HD23 LEU A 67 -1.049 7.351 -5.014 1.00 0.70 H new ATOM 1049 N GLU A 68 2.806 9.597 -6.843 1.00 0.64 N ATOM 1050 CA GLU A 68 3.943 10.349 -7.384 1.00 0.69 C ATOM 1051 C GLU A 68 4.932 10.614 -6.251 1.00 0.82 C ATOM 1052 O GLU A 68 4.500 10.827 -5.115 1.00 0.91 O ATOM 1053 CB GLU A 68 3.433 11.698 -7.921 1.00 0.72 C ATOM 1054 CG GLU A 68 4.511 12.565 -8.592 1.00 0.78 C ATOM 1055 CD GLU A 68 4.703 12.183 -10.064 1.00 0.79 C ATOM 1056 OE1 GLU A 68 4.732 10.975 -10.387 1.00 1.69 O ATOM 1057 OE2 GLU A 68 4.710 13.085 -10.925 1.00 1.55 O ATOM 0 H GLU A 68 2.302 10.118 -6.126 1.00 0.64 H new ATOM 0 HA GLU A 68 4.424 9.785 -8.183 1.00 0.69 H new ATOM 0 HB2 GLU A 68 2.636 11.511 -8.640 1.00 0.72 H new ATOM 0 HB3 GLU A 68 2.993 12.260 -7.097 1.00 0.72 H new ATOM 0 HG2 GLU A 68 4.230 13.616 -8.521 1.00 0.78 H new ATOM 0 HG3 GLU A 68 5.455 12.451 -8.059 1.00 0.78 H new ATOM 1064 N VAL A 69 6.233 10.659 -6.557 1.00 0.87 N ATOM 1065 CA VAL A 69 7.263 11.089 -5.607 1.00 0.97 C ATOM 1066 C VAL A 69 8.355 11.954 -6.268 1.00 0.95 C ATOM 1067 O VAL A 69 8.773 11.647 -7.384 1.00 1.01 O ATOM 1068 CB VAL A 69 7.911 9.870 -4.895 1.00 1.12 C ATOM 1069 CG1 VAL A 69 8.739 10.281 -3.663 1.00 1.13 C ATOM 1070 CG2 VAL A 69 6.899 8.827 -4.401 1.00 1.28 C ATOM 0 H VAL A 69 6.601 10.398 -7.472 1.00 0.87 H new ATOM 0 HA VAL A 69 6.757 11.708 -4.866 1.00 0.97 H new ATOM 0 HB VAL A 69 8.541 9.435 -5.671 1.00 1.12 H new ATOM 0 HG11 VAL A 69 9.170 9.393 -3.202 1.00 1.13 H new ATOM 0 HG12 VAL A 69 9.539 10.955 -3.970 1.00 1.13 H new ATOM 0 HG13 VAL A 69 8.095 10.787 -2.944 1.00 1.13 H new ATOM 0 HG21 VAL A 69 7.429 8.007 -3.915 1.00 1.28 H new ATOM 0 HG22 VAL A 69 6.217 9.291 -3.688 1.00 1.28 H new ATOM 0 HG23 VAL A 69 6.332 8.441 -5.248 1.00 1.28 H new ATOM 1080 N PRO A 70 8.824 13.036 -5.603 1.00 1.02 N ATOM 1081 CA PRO A 70 9.946 13.848 -6.060 1.00 1.05 C ATOM 1082 C PRO A 70 11.307 13.237 -5.667 1.00 1.04 C ATOM 1083 O PRO A 70 11.391 12.488 -4.690 1.00 1.04 O ATOM 1084 CB PRO A 70 9.742 15.215 -5.399 1.00 1.12 C ATOM 1085 CG PRO A 70 9.100 14.847 -4.062 1.00 1.17 C ATOM 1086 CD PRO A 70 8.218 13.656 -4.428 1.00 1.11 C ATOM 0 HA PRO A 70 9.968 13.914 -7.148 1.00 1.05 H new ATOM 0 HB2 PRO A 70 10.685 15.744 -5.264 1.00 1.12 H new ATOM 0 HB3 PRO A 70 9.097 15.861 -5.994 1.00 1.12 H new ATOM 0 HG2 PRO A 70 9.847 14.582 -3.314 1.00 1.17 H new ATOM 0 HG3 PRO A 70 8.517 15.672 -3.653 1.00 1.17 H new ATOM 0 HD2 PRO A 70 8.161 12.947 -3.602 1.00 1.11 H new ATOM 0 HD3 PRO A 70 7.199 13.979 -4.642 1.00 1.11 H new ATOM 1094 N PRO A 71 12.393 13.583 -6.385 1.00 1.07 N ATOM 1095 CA PRO A 71 13.723 13.028 -6.167 1.00 1.11 C ATOM 1096 C PRO A 71 14.307 13.301 -4.781 1.00 1.28 C ATOM 1097 O PRO A 71 14.043 14.331 -4.164 1.00 1.37 O ATOM 1098 CB PRO A 71 14.601 13.565 -7.292 1.00 1.19 C ATOM 1099 CG PRO A 71 13.860 14.794 -7.810 1.00 1.20 C ATOM 1100 CD PRO A 71 12.399 14.453 -7.554 1.00 1.11 C ATOM 0 HA PRO A 71 13.669 11.940 -6.190 1.00 1.11 H new ATOM 0 HB2 PRO A 71 15.595 13.826 -6.928 1.00 1.19 H new ATOM 0 HB3 PRO A 71 14.734 12.822 -8.079 1.00 1.19 H new ATOM 0 HG2 PRO A 71 14.161 15.698 -7.281 1.00 1.20 H new ATOM 0 HG3 PRO A 71 14.054 14.965 -8.869 1.00 1.20 H new ATOM 0 HD2 PRO A 71 11.813 15.354 -7.374 1.00 1.11 H new ATOM 0 HD3 PRO A 71 11.957 13.953 -8.416 1.00 1.11 H new ATOM 1108 N LYS A 72 15.093 12.327 -4.298 1.00 1.42 N ATOM 1109 CA LYS A 72 15.756 12.260 -2.984 1.00 1.66 C ATOM 1110 C LYS A 72 14.791 12.043 -1.799 1.00 1.83 C ATOM 1111 O LYS A 72 15.245 11.798 -0.682 1.00 2.20 O ATOM 1112 CB LYS A 72 16.693 13.467 -2.772 1.00 1.67 C ATOM 1113 CG LYS A 72 17.800 13.555 -3.838 1.00 1.81 C ATOM 1114 CD LYS A 72 18.954 12.576 -3.563 1.00 1.77 C ATOM 1115 CE LYS A 72 19.902 12.480 -4.762 1.00 2.17 C ATOM 1116 NZ LYS A 72 19.351 11.608 -5.824 1.00 2.08 N ATOM 0 H LYS A 72 15.299 11.500 -4.859 1.00 1.42 H new ATOM 0 HA LYS A 72 16.369 11.359 -3.001 1.00 1.66 H new ATOM 0 HB2 LYS A 72 16.105 14.385 -2.788 1.00 1.67 H new ATOM 0 HB3 LYS A 72 17.150 13.398 -1.785 1.00 1.67 H new ATOM 0 HG2 LYS A 72 17.374 13.345 -4.819 1.00 1.81 H new ATOM 0 HG3 LYS A 72 18.190 14.572 -3.871 1.00 1.81 H new ATOM 0 HD2 LYS A 72 19.509 12.903 -2.684 1.00 1.77 H new ATOM 0 HD3 LYS A 72 18.550 11.589 -3.336 1.00 1.77 H new ATOM 0 HE2 LYS A 72 20.081 13.477 -5.165 1.00 2.17 H new ATOM 0 HE3 LYS A 72 20.866 12.091 -4.434 1.00 2.17 H new ATOM 0 HZ1 LYS A 72 20.072 11.456 -6.558 1.00 2.08 H new ATOM 0 HZ2 LYS A 72 19.077 10.692 -5.414 1.00 2.08 H new ATOM 0 HZ3 LYS A 72 18.516 12.062 -6.247 1.00 2.08 H new ATOM 1130 N GLY A 73 13.478 12.053 -2.042 1.00 1.68 N ATOM 1131 CA GLY A 73 12.435 11.787 -1.042 1.00 1.87 C ATOM 1132 C GLY A 73 12.230 10.296 -0.735 1.00 2.00 C ATOM 1133 O GLY A 73 12.708 9.416 -1.450 1.00 2.00 O ATOM 0 H GLY A 73 13.098 12.252 -2.967 1.00 1.68 H new ATOM 0 HA2 GLY A 73 12.691 12.306 -0.118 1.00 1.87 H new ATOM 0 HA3 GLY A 73 11.493 12.208 -1.394 1.00 1.87 H new ATOM 1137 N ARG A 74 11.492 10.026 0.350 1.00 2.18 N ATOM 1138 CA ARG A 74 10.942 8.740 0.772 1.00 2.24 C ATOM 1139 C ARG A 74 9.619 9.049 1.502 1.00 2.24 C ATOM 1140 O ARG A 74 9.589 10.008 2.271 1.00 2.92 O ATOM 1141 CB ARG A 74 11.966 7.983 1.644 1.00 3.14 C ATOM 1142 CG ARG A 74 11.358 7.005 2.667 1.00 3.54 C ATOM 1143 CD ARG A 74 12.141 5.694 2.812 1.00 4.62 C ATOM 1144 NE ARG A 74 12.404 5.286 4.201 1.00 5.09 N ATOM 1145 CZ ARG A 74 13.584 5.194 4.807 1.00 5.94 C ATOM 1146 NH1 ARG A 74 14.677 5.734 4.305 1.00 6.62 N ATOM 1147 NH2 ARG A 74 13.684 4.540 5.942 1.00 6.66 N ATOM 0 H ARG A 74 11.246 10.767 1.007 1.00 2.18 H new ATOM 0 HA ARG A 74 10.738 8.078 -0.069 1.00 2.24 H new ATOM 0 HB2 ARG A 74 12.638 7.428 0.989 1.00 3.14 H new ATOM 0 HB3 ARG A 74 12.574 8.713 2.179 1.00 3.14 H new ATOM 0 HG2 ARG A 74 11.307 7.496 3.639 1.00 3.54 H new ATOM 0 HG3 ARG A 74 10.334 6.775 2.372 1.00 3.54 H new ATOM 0 HD2 ARG A 74 11.587 4.899 2.313 1.00 4.62 H new ATOM 0 HD3 ARG A 74 13.093 5.796 2.291 1.00 4.62 H new ATOM 0 HE ARG A 74 11.588 5.046 4.763 1.00 5.09 H new ATOM 0 HH11 ARG A 74 14.635 6.244 3.422 1.00 6.62 H new ATOM 0 HH12 ARG A 74 15.565 5.642 4.799 1.00 6.62 H new ATOM 0 HH21 ARG A 74 12.859 4.105 6.355 1.00 6.66 H new ATOM 0 HH22 ARG A 74 14.587 4.467 6.411 1.00 6.66 H new ATOM 1161 N VAL A 75 8.554 8.297 1.214 1.00 1.83 N ATOM 1162 CA VAL A 75 7.166 8.601 1.638 1.00 2.19 C ATOM 1163 C VAL A 75 6.312 7.324 1.764 1.00 1.62 C ATOM 1164 O VAL A 75 5.746 6.872 0.773 1.00 1.36 O ATOM 1165 CB VAL A 75 6.463 9.551 0.623 1.00 2.74 C ATOM 1166 CG1 VAL A 75 5.072 9.994 1.132 1.00 3.66 C ATOM 1167 CG2 VAL A 75 7.250 10.833 0.289 1.00 3.24 C ATOM 0 H VAL A 75 8.624 7.438 0.668 1.00 1.83 H new ATOM 0 HA VAL A 75 7.245 9.083 2.612 1.00 2.19 H new ATOM 0 HB VAL A 75 6.389 8.948 -0.282 1.00 2.74 H new ATOM 0 HG11 VAL A 75 4.610 10.656 0.399 1.00 3.66 H new ATOM 0 HG12 VAL A 75 4.441 9.117 1.277 1.00 3.66 H new ATOM 0 HG13 VAL A 75 5.182 10.522 2.079 1.00 3.66 H new ATOM 0 HG21 VAL A 75 6.684 11.432 -0.424 1.00 3.24 H new ATOM 0 HG22 VAL A 75 7.410 11.409 1.200 1.00 3.24 H new ATOM 0 HG23 VAL A 75 8.213 10.566 -0.145 1.00 3.24 H new ATOM 1177 N GLU A 76 6.158 6.738 2.954 1.00 2.16 N ATOM 1178 CA GLU A 76 5.481 5.428 3.044 1.00 1.86 C ATOM 1179 C GLU A 76 3.953 5.547 2.846 1.00 1.66 C ATOM 1180 O GLU A 76 3.347 6.616 2.983 1.00 1.85 O ATOM 1181 CB GLU A 76 5.825 4.651 4.339 1.00 2.54 C ATOM 1182 CG GLU A 76 7.244 4.836 4.882 1.00 3.48 C ATOM 1183 CD GLU A 76 7.376 6.046 5.795 1.00 3.65 C ATOM 1184 OE1 GLU A 76 7.136 5.887 7.012 1.00 4.24 O ATOM 1185 OE2 GLU A 76 7.730 7.116 5.255 1.00 4.06 O ATOM 0 H GLU A 76 6.477 7.126 3.842 1.00 2.16 H new ATOM 0 HA GLU A 76 5.875 4.837 2.217 1.00 1.86 H new ATOM 0 HB2 GLU A 76 5.120 4.949 5.115 1.00 2.54 H new ATOM 0 HB3 GLU A 76 5.665 3.589 4.154 1.00 2.54 H new ATOM 0 HG2 GLU A 76 7.538 3.940 5.430 1.00 3.48 H new ATOM 0 HG3 GLU A 76 7.936 4.940 4.047 1.00 3.48 H new ATOM 1192 N LEU A 77 3.298 4.428 2.506 1.00 1.34 N ATOM 1193 CA LEU A 77 1.842 4.331 2.434 1.00 1.18 C ATOM 1194 C LEU A 77 1.271 4.467 3.853 1.00 1.43 C ATOM 1195 O LEU A 77 1.091 3.506 4.593 1.00 2.33 O ATOM 1196 CB LEU A 77 1.393 3.036 1.729 1.00 0.89 C ATOM 1197 CG LEU A 77 1.303 3.108 0.189 1.00 0.77 C ATOM 1198 CD1 LEU A 77 2.650 3.238 -0.533 1.00 0.69 C ATOM 1199 CD2 LEU A 77 0.575 1.856 -0.306 1.00 1.00 C ATOM 0 H LEU A 77 3.774 3.557 2.271 1.00 1.34 H new ATOM 0 HA LEU A 77 1.447 5.143 1.823 1.00 1.18 H new ATOM 0 HB2 LEU A 77 2.087 2.239 1.997 1.00 0.89 H new ATOM 0 HB3 LEU A 77 0.415 2.752 2.119 1.00 0.89 H new ATOM 0 HG LEU A 77 0.762 4.024 -0.049 1.00 0.77 H new ATOM 0 HD11 LEU A 77 2.483 3.281 -1.609 1.00 0.69 H new ATOM 0 HD12 LEU A 77 3.151 4.149 -0.207 1.00 0.69 H new ATOM 0 HD13 LEU A 77 3.274 2.376 -0.297 1.00 0.69 H new ATOM 0 HD21 LEU A 77 0.499 1.885 -1.393 1.00 1.00 H new ATOM 0 HD22 LEU A 77 1.131 0.968 -0.004 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.425 1.822 0.126 1.00 1.00 H new ATOM 1211 N LYS A 78 0.993 5.719 4.209 1.00 1.29 N ATOM 1212 CA LYS A 78 0.449 6.178 5.480 1.00 1.40 C ATOM 1213 C LYS A 78 -0.687 5.273 6.009 1.00 1.34 C ATOM 1214 O LYS A 78 -1.615 4.961 5.254 1.00 1.24 O ATOM 1215 CB LYS A 78 0.009 7.659 5.329 1.00 1.53 C ATOM 1216 CG LYS A 78 -0.937 7.966 4.143 1.00 1.66 C ATOM 1217 CD LYS A 78 -0.225 8.245 2.801 1.00 2.86 C ATOM 1218 CE LYS A 78 -0.059 9.734 2.475 1.00 2.88 C ATOM 1219 NZ LYS A 78 -1.350 10.387 2.132 1.00 4.05 N ATOM 0 H LYS A 78 1.155 6.495 3.567 1.00 1.29 H new ATOM 0 HA LYS A 78 1.229 6.113 6.239 1.00 1.40 H new ATOM 0 HB2 LYS A 78 -0.484 7.967 6.251 1.00 1.53 H new ATOM 0 HB3 LYS A 78 0.903 8.274 5.224 1.00 1.53 H new ATOM 0 HG2 LYS A 78 -1.615 7.123 4.010 1.00 1.66 H new ATOM 0 HG3 LYS A 78 -1.550 8.830 4.400 1.00 1.66 H new ATOM 0 HD2 LYS A 78 0.759 7.777 2.821 1.00 2.86 H new ATOM 0 HD3 LYS A 78 -0.788 7.769 1.998 1.00 2.86 H new ATOM 0 HE2 LYS A 78 0.386 10.243 3.330 1.00 2.88 H new ATOM 0 HE3 LYS A 78 0.634 9.845 1.641 1.00 2.88 H new ATOM 0 HZ1 LYS A 78 -1.165 11.281 1.634 1.00 4.05 H new ATOM 0 HZ2 LYS A 78 -1.905 9.757 1.518 1.00 4.05 H new ATOM 0 HZ3 LYS A 78 -1.884 10.580 3.003 1.00 4.05 H new ATOM 1233 N PRO A 79 -0.696 4.918 7.314 1.00 1.61 N ATOM 1234 CA PRO A 79 -1.762 4.107 7.897 1.00 1.75 C ATOM 1235 C PRO A 79 -3.134 4.780 7.794 1.00 1.59 C ATOM 1236 O PRO A 79 -4.128 4.079 7.615 1.00 2.08 O ATOM 1237 CB PRO A 79 -1.351 3.851 9.349 1.00 2.13 C ATOM 1238 CG PRO A 79 -0.403 5.003 9.672 1.00 2.15 C ATOM 1239 CD PRO A 79 0.285 5.264 8.334 1.00 1.96 C ATOM 0 HA PRO A 79 -1.878 3.171 7.351 1.00 1.75 H new ATOM 0 HB2 PRO A 79 -2.215 3.846 10.014 1.00 2.13 H new ATOM 0 HB3 PRO A 79 -0.858 2.885 9.460 1.00 2.13 H new ATOM 0 HG2 PRO A 79 -0.941 5.882 10.028 1.00 2.15 H new ATOM 0 HG3 PRO A 79 0.313 4.732 10.448 1.00 2.15 H new ATOM 0 HD2 PRO A 79 0.590 6.307 8.247 1.00 1.96 H new ATOM 0 HD3 PRO A 79 1.186 4.659 8.232 1.00 1.96 H new ATOM 1247 N GLY A 80 -3.185 6.121 7.841 1.00 1.67 N ATOM 1248 CA GLY A 80 -4.359 6.907 7.468 1.00 1.65 C ATOM 1249 C GLY A 80 -4.236 7.451 6.045 1.00 1.81 C ATOM 1250 O GLY A 80 -3.650 8.512 5.830 1.00 3.11 O ATOM 0 H GLY A 80 -2.397 6.693 8.145 1.00 1.67 H new ATOM 0 HA2 GLY A 80 -5.253 6.288 7.547 1.00 1.65 H new ATOM 0 HA3 GLY A 80 -4.482 7.735 8.166 1.00 1.65 H new ATOM 1254 N GLY A 81 -4.831 6.738 5.085 1.00 0.73 N ATOM 1255 CA GLY A 81 -5.380 7.323 3.858 1.00 0.69 C ATOM 1256 C GLY A 81 -5.028 6.652 2.541 1.00 0.81 C ATOM 1257 O GLY A 81 -5.700 6.937 1.561 1.00 1.88 O ATOM 0 H GLY A 81 -4.947 5.726 5.138 1.00 0.73 H new ATOM 0 HA2 GLY A 81 -6.466 7.336 3.949 1.00 0.69 H new ATOM 0 HA3 GLY A 81 -5.052 8.361 3.805 1.00 0.69 H new ATOM 1261 N TYR A 82 -4.015 5.778 2.474 1.00 0.80 N ATOM 1262 CA TYR A 82 -3.683 4.986 1.273 1.00 0.74 C ATOM 1263 C TYR A 82 -3.259 3.558 1.622 1.00 0.77 C ATOM 1264 O TYR A 82 -2.646 3.329 2.658 1.00 0.93 O ATOM 1265 CB TYR A 82 -2.578 5.656 0.443 1.00 0.80 C ATOM 1266 CG TYR A 82 -3.017 6.914 -0.280 1.00 0.76 C ATOM 1267 CD1 TYR A 82 -3.177 8.120 0.427 1.00 2.14 C ATOM 1268 CD2 TYR A 82 -3.334 6.860 -1.650 1.00 1.87 C ATOM 1269 CE1 TYR A 82 -3.704 9.254 -0.217 1.00 2.15 C ATOM 1270 CE2 TYR A 82 -3.820 8.002 -2.308 1.00 1.88 C ATOM 1271 CZ TYR A 82 -4.032 9.199 -1.589 1.00 0.79 C ATOM 1272 OH TYR A 82 -4.594 10.286 -2.185 1.00 0.86 O ATOM 0 H TYR A 82 -3.392 5.596 3.261 1.00 0.80 H new ATOM 0 HA TYR A 82 -4.596 4.939 0.680 1.00 0.74 H new ATOM 0 HB2 TYR A 82 -1.744 5.901 1.101 1.00 0.80 H new ATOM 0 HB3 TYR A 82 -2.206 4.940 -0.290 1.00 0.80 H new ATOM 0 HD1 TYR A 82 -2.894 8.175 1.468 1.00 2.14 H new ATOM 0 HD2 TYR A 82 -3.203 5.938 -2.197 1.00 1.87 H new ATOM 0 HE1 TYR A 82 -3.858 10.167 0.338 1.00 2.15 H new ATOM 0 HE2 TYR A 82 -4.032 7.965 -3.366 1.00 1.88 H new ATOM 0 HH TYR A 82 -4.760 10.091 -3.131 1.00 0.86 H new ATOM 1282 N HIS A 83 -3.590 2.600 0.758 1.00 0.64 N ATOM 1283 CA HIS A 83 -3.209 1.190 0.892 1.00 0.61 C ATOM 1284 C HIS A 83 -3.311 0.444 -0.443 1.00 0.49 C ATOM 1285 O HIS A 83 -4.229 0.712 -1.219 1.00 0.54 O ATOM 1286 CB HIS A 83 -4.062 0.503 1.966 1.00 0.74 C ATOM 1287 CG HIS A 83 -5.537 0.445 1.670 1.00 0.74 C ATOM 1288 ND1 HIS A 83 -6.445 1.461 1.885 1.00 0.78 N ATOM 1289 CD2 HIS A 83 -6.217 -0.590 1.081 1.00 0.73 C ATOM 1290 CE1 HIS A 83 -7.633 1.062 1.411 1.00 0.76 C ATOM 1291 NE2 HIS A 83 -7.551 -0.196 0.950 1.00 0.74 N ATOM 0 H HIS A 83 -4.145 2.785 -0.077 1.00 0.64 H new ATOM 0 HA HIS A 83 -2.165 1.158 1.202 1.00 0.61 H new ATOM 0 HB2 HIS A 83 -3.695 -0.514 2.104 1.00 0.74 H new ATOM 0 HB3 HIS A 83 -3.917 1.025 2.912 1.00 0.74 H new ATOM 0 HD2 HIS A 83 -5.798 -1.537 0.774 1.00 0.73 H new ATOM 0 HE1 HIS A 83 -8.528 1.666 1.401 1.00 0.76 H new ATOM 0 HE2 HIS A 83 -8.316 -0.757 0.576 1.00 0.74 H new ATOM 1299 N PHE A 84 -2.452 -0.556 -0.658 1.00 0.40 N ATOM 1300 CA PHE A 84 -2.698 -1.567 -1.682 1.00 0.42 C ATOM 1301 C PHE A 84 -3.701 -2.587 -1.128 1.00 0.47 C ATOM 1302 O PHE A 84 -3.413 -3.231 -0.126 1.00 0.75 O ATOM 1303 CB PHE A 84 -1.379 -2.254 -2.069 1.00 0.45 C ATOM 1304 CG PHE A 84 -0.493 -1.400 -2.943 1.00 0.46 C ATOM 1305 CD1 PHE A 84 -0.820 -1.211 -4.299 1.00 1.80 C ATOM 1306 CD2 PHE A 84 0.631 -0.756 -2.399 1.00 1.54 C ATOM 1307 CE1 PHE A 84 -0.023 -0.381 -5.103 1.00 1.85 C ATOM 1308 CE2 PHE A 84 1.403 0.110 -3.194 1.00 1.54 C ATOM 1309 CZ PHE A 84 1.076 0.295 -4.546 1.00 0.63 C ATOM 0 H PHE A 84 -1.584 -0.684 -0.137 1.00 0.40 H new ATOM 0 HA PHE A 84 -3.110 -1.103 -2.578 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -0.836 -2.518 -1.162 1.00 0.45 H new ATOM 0 HB3 PHE A 84 -1.602 -3.185 -2.590 1.00 0.45 H new ATOM 0 HD1 PHE A 84 -1.683 -1.704 -4.721 1.00 1.80 H new ATOM 0 HD2 PHE A 84 0.903 -0.926 -1.368 1.00 1.54 H new ATOM 0 HE1 PHE A 84 -0.255 -0.262 -6.151 1.00 1.85 H new ATOM 0 HE2 PHE A 84 2.246 0.632 -2.765 1.00 1.54 H new ATOM 0 HZ PHE A 84 1.669 0.957 -5.159 1.00 0.63 H new ATOM 1319 N MET A 85 -4.846 -2.755 -1.785 1.00 0.36 N ATOM 1320 CA MET A 85 -5.844 -3.818 -1.608 1.00 0.42 C ATOM 1321 C MET A 85 -5.348 -5.083 -2.318 1.00 0.47 C ATOM 1322 O MET A 85 -4.994 -5.023 -3.493 1.00 0.49 O ATOM 1323 CB MET A 85 -7.171 -3.365 -2.215 1.00 0.52 C ATOM 1324 CG MET A 85 -8.362 -4.212 -1.735 1.00 0.87 C ATOM 1325 SD MET A 85 -9.301 -3.526 -0.328 1.00 1.16 S ATOM 1326 CE MET A 85 -8.694 -4.585 1.018 1.00 0.89 C ATOM 0 H MET A 85 -5.127 -2.100 -2.515 1.00 0.36 H new ATOM 0 HA MET A 85 -5.989 -4.029 -0.548 1.00 0.42 H new ATOM 0 HB2 MET A 85 -7.346 -2.320 -1.958 1.00 0.52 H new ATOM 0 HB3 MET A 85 -7.106 -3.419 -3.302 1.00 0.52 H new ATOM 0 HG2 MET A 85 -9.046 -4.352 -2.572 1.00 0.87 H new ATOM 0 HG3 MET A 85 -7.994 -5.199 -1.456 1.00 0.87 H new ATOM 0 HE1 MET A 85 -9.146 -4.272 1.959 1.00 0.89 H new ATOM 0 HE2 MET A 85 -8.962 -5.622 0.814 1.00 0.89 H new ATOM 0 HE3 MET A 85 -7.610 -4.497 1.089 1.00 0.89 H new ATOM 1336 N LEU A 86 -5.309 -6.218 -1.630 1.00 0.61 N ATOM 1337 CA LEU A 86 -4.757 -7.495 -2.103 1.00 0.65 C ATOM 1338 C LEU A 86 -5.885 -8.515 -2.236 1.00 0.68 C ATOM 1339 O LEU A 86 -6.710 -8.604 -1.330 1.00 0.91 O ATOM 1340 CB LEU A 86 -3.741 -7.977 -1.058 1.00 0.67 C ATOM 1341 CG LEU A 86 -2.461 -7.124 -0.995 1.00 0.72 C ATOM 1342 CD1 LEU A 86 -1.751 -7.352 0.343 1.00 1.77 C ATOM 1343 CD2 LEU A 86 -1.509 -7.488 -2.136 1.00 2.36 C ATOM 0 H LEU A 86 -5.677 -6.283 -0.681 1.00 0.61 H new ATOM 0 HA LEU A 86 -4.277 -7.375 -3.074 1.00 0.65 H new ATOM 0 HB2 LEU A 86 -4.215 -7.976 -0.077 1.00 0.67 H new ATOM 0 HB3 LEU A 86 -3.468 -9.009 -1.279 1.00 0.67 H new ATOM 0 HG LEU A 86 -2.744 -6.076 -1.092 1.00 0.72 H new ATOM 0 HD11 LEU A 86 -0.846 -6.746 0.382 1.00 1.77 H new ATOM 0 HD12 LEU A 86 -2.414 -7.067 1.160 1.00 1.77 H new ATOM 0 HD13 LEU A 86 -1.487 -8.405 0.440 1.00 1.77 H new ATOM 0 HD21 LEU A 86 -0.612 -6.873 -2.071 1.00 2.36 H new ATOM 0 HD22 LEU A 86 -1.234 -8.540 -2.059 1.00 2.36 H new ATOM 0 HD23 LEU A 86 -2.002 -7.311 -3.092 1.00 2.36 H new ATOM 1355 N LEU A 87 -5.951 -9.275 -3.334 1.00 0.65 N ATOM 1356 CA LEU A 87 -7.077 -10.169 -3.623 1.00 0.68 C ATOM 1357 C LEU A 87 -6.602 -11.544 -4.112 1.00 0.73 C ATOM 1358 O LEU A 87 -5.798 -11.640 -5.040 1.00 0.96 O ATOM 1359 CB LEU A 87 -8.029 -9.538 -4.660 1.00 0.76 C ATOM 1360 CG LEU A 87 -8.706 -8.214 -4.235 1.00 0.79 C ATOM 1361 CD1 LEU A 87 -7.896 -6.976 -4.658 1.00 2.17 C ATOM 1362 CD2 LEU A 87 -10.101 -8.116 -4.872 1.00 2.04 C ATOM 0 H LEU A 87 -5.224 -9.288 -4.049 1.00 0.65 H new ATOM 0 HA LEU A 87 -7.619 -10.313 -2.688 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -7.469 -9.359 -5.578 1.00 0.76 H new ATOM 0 HB3 LEU A 87 -8.808 -10.262 -4.898 1.00 0.76 H new ATOM 0 HG LEU A 87 -8.770 -8.228 -3.147 1.00 0.79 H new ATOM 0 HD11 LEU A 87 -8.415 -6.074 -4.335 1.00 2.17 H new ATOM 0 HD12 LEU A 87 -6.909 -7.012 -4.196 1.00 2.17 H new ATOM 0 HD13 LEU A 87 -7.789 -6.965 -5.743 1.00 2.17 H new ATOM 0 HD21 LEU A 87 -10.574 -7.182 -4.570 1.00 2.04 H new ATOM 0 HD22 LEU A 87 -10.008 -8.141 -5.958 1.00 2.04 H new ATOM 0 HD23 LEU A 87 -10.712 -8.956 -4.541 1.00 2.04 H new ATOM 1374 N GLY A 88 -7.142 -12.613 -3.522 1.00 0.68 N ATOM 1375 CA GLY A 88 -6.871 -13.996 -3.934 1.00 0.79 C ATOM 1376 C GLY A 88 -5.587 -14.541 -3.315 1.00 1.01 C ATOM 1377 O GLY A 88 -4.704 -15.015 -4.032 1.00 1.90 O ATOM 0 H GLY A 88 -7.788 -12.544 -2.735 1.00 0.68 H new ATOM 0 HA2 GLY A 88 -7.709 -14.630 -3.645 1.00 0.79 H new ATOM 0 HA3 GLY A 88 -6.796 -14.042 -5.020 1.00 0.79 H new ATOM 1381 N LEU A 89 -5.447 -14.378 -1.999 1.00 0.61 N ATOM 1382 CA LEU A 89 -4.269 -14.765 -1.231 1.00 0.61 C ATOM 1383 C LEU A 89 -3.818 -16.213 -1.422 1.00 0.65 C ATOM 1384 O LEU A 89 -4.586 -17.121 -1.722 1.00 0.72 O ATOM 1385 CB LEU A 89 -4.410 -14.513 0.274 1.00 0.63 C ATOM 1386 CG LEU A 89 -5.016 -13.180 0.747 1.00 0.62 C ATOM 1387 CD1 LEU A 89 -4.856 -13.129 2.269 1.00 0.73 C ATOM 1388 CD2 LEU A 89 -4.373 -11.941 0.103 1.00 0.64 C ATOM 0 H LEU A 89 -6.176 -13.959 -1.422 1.00 0.61 H new ATOM 0 HA LEU A 89 -3.504 -14.110 -1.649 1.00 0.61 H new ATOM 0 HB2 LEU A 89 -5.018 -15.318 0.688 1.00 0.63 H new ATOM 0 HB3 LEU A 89 -3.418 -14.601 0.718 1.00 0.63 H new ATOM 0 HG LEU A 89 -6.062 -13.149 0.442 1.00 0.62 H new ATOM 0 HD11 LEU A 89 -5.274 -12.196 2.648 1.00 0.73 H new ATOM 0 HD12 LEU A 89 -5.382 -13.971 2.719 1.00 0.73 H new ATOM 0 HD13 LEU A 89 -3.798 -13.183 2.526 1.00 0.73 H new ATOM 0 HD21 LEU A 89 -4.854 -11.041 0.486 1.00 0.64 H new ATOM 0 HD22 LEU A 89 -3.310 -11.916 0.344 1.00 0.64 H new ATOM 0 HD23 LEU A 89 -4.499 -11.987 -0.979 1.00 0.64 H new ATOM 1400 N LYS A 90 -2.531 -16.415 -1.157 1.00 0.71 N ATOM 1401 CA LYS A 90 -1.865 -17.718 -1.288 1.00 0.76 C ATOM 1402 C LYS A 90 -1.461 -18.374 0.043 1.00 0.84 C ATOM 1403 O LYS A 90 -1.062 -19.543 0.103 1.00 1.00 O ATOM 1404 CB LYS A 90 -0.636 -17.539 -2.158 1.00 0.78 C ATOM 1405 CG LYS A 90 -0.849 -16.859 -3.525 1.00 0.82 C ATOM 1406 CD LYS A 90 -1.969 -17.475 -4.369 1.00 1.13 C ATOM 1407 CE LYS A 90 -2.009 -16.855 -5.773 1.00 1.15 C ATOM 1408 NZ LYS A 90 -2.912 -17.587 -6.691 1.00 1.71 N ATOM 0 H LYS A 90 -1.908 -15.672 -0.841 1.00 0.71 H new ATOM 0 HA LYS A 90 -2.592 -18.396 -1.735 1.00 0.76 H new ATOM 0 HB2 LYS A 90 0.095 -16.956 -1.598 1.00 0.78 H new ATOM 0 HB3 LYS A 90 -0.196 -18.521 -2.331 1.00 0.78 H new ATOM 0 HG2 LYS A 90 -1.071 -15.804 -3.362 1.00 0.82 H new ATOM 0 HG3 LYS A 90 0.082 -16.905 -4.089 1.00 0.82 H new ATOM 0 HD2 LYS A 90 -1.819 -18.552 -4.448 1.00 1.13 H new ATOM 0 HD3 LYS A 90 -2.928 -17.322 -3.873 1.00 1.13 H new ATOM 0 HE2 LYS A 90 -2.335 -15.817 -5.699 1.00 1.15 H new ATOM 0 HE3 LYS A 90 -1.002 -16.844 -6.191 1.00 1.15 H new ATOM 0 HZ1 LYS A 90 -2.579 -17.473 -7.670 1.00 1.71 H new ATOM 0 HZ2 LYS A 90 -2.916 -18.597 -6.442 1.00 1.71 H new ATOM 0 HZ3 LYS A 90 -3.876 -17.206 -6.606 1.00 1.71 H new ATOM 1422 N ARG A 91 -1.517 -17.565 1.093 1.00 0.85 N ATOM 1423 CA ARG A 91 -1.271 -17.838 2.504 1.00 0.91 C ATOM 1424 C ARG A 91 -2.312 -17.066 3.347 1.00 0.86 C ATOM 1425 O ARG A 91 -2.534 -15.898 3.024 1.00 0.85 O ATOM 1426 CB ARG A 91 0.121 -17.285 2.853 1.00 1.05 C ATOM 1427 CG ARG A 91 1.303 -17.794 2.008 1.00 1.58 C ATOM 1428 CD ARG A 91 1.554 -19.301 2.108 1.00 2.69 C ATOM 1429 NE ARG A 91 2.663 -19.699 1.220 1.00 4.18 N ATOM 1430 CZ ARG A 91 2.599 -20.390 0.085 1.00 5.65 C ATOM 1431 NH1 ARG A 91 1.461 -20.820 -0.424 1.00 6.15 N ATOM 1432 NH2 ARG A 91 3.719 -20.649 -0.561 1.00 7.05 N ATOM 0 H ARG A 91 -1.766 -16.585 0.960 1.00 0.85 H new ATOM 0 HA ARG A 91 -1.335 -18.908 2.704 1.00 0.91 H new ATOM 0 HB2 ARG A 91 0.086 -16.199 2.768 1.00 1.05 H new ATOM 0 HB3 ARG A 91 0.326 -17.517 3.898 1.00 1.05 H new ATOM 0 HG2 ARG A 91 1.124 -17.537 0.964 1.00 1.58 H new ATOM 0 HG3 ARG A 91 2.206 -17.267 2.315 1.00 1.58 H new ATOM 0 HD2 ARG A 91 1.790 -19.569 3.138 1.00 2.69 H new ATOM 0 HD3 ARG A 91 0.649 -19.845 1.837 1.00 2.69 H new ATOM 0 HE ARG A 91 3.596 -19.408 1.513 1.00 4.18 H new ATOM 0 HH11 ARG A 91 0.582 -20.626 0.056 1.00 6.15 H new ATOM 0 HH12 ARG A 91 1.460 -21.347 -1.298 1.00 6.15 H new ATOM 0 HH21 ARG A 91 4.610 -20.321 -0.188 1.00 7.05 H new ATOM 0 HH22 ARG A 91 3.694 -21.177 -1.433 1.00 7.05 H new ATOM 1446 N PRO A 92 -2.907 -17.636 4.409 1.00 0.95 N ATOM 1447 CA PRO A 92 -3.571 -16.851 5.448 1.00 1.05 C ATOM 1448 C PRO A 92 -2.500 -16.230 6.350 1.00 1.10 C ATOM 1449 O PRO A 92 -1.529 -16.914 6.681 1.00 1.41 O ATOM 1450 CB PRO A 92 -4.448 -17.856 6.199 1.00 1.23 C ATOM 1451 CG PRO A 92 -3.668 -19.168 6.081 1.00 1.25 C ATOM 1452 CD PRO A 92 -2.953 -19.056 4.732 1.00 1.08 C ATOM 0 HA PRO A 92 -4.176 -16.030 5.064 1.00 1.05 H new ATOM 0 HB2 PRO A 92 -4.590 -17.566 7.240 1.00 1.23 H new ATOM 0 HB3 PRO A 92 -5.439 -17.936 5.752 1.00 1.23 H new ATOM 0 HG2 PRO A 92 -2.958 -19.285 6.900 1.00 1.25 H new ATOM 0 HG3 PRO A 92 -4.333 -20.031 6.110 1.00 1.25 H new ATOM 0 HD2 PRO A 92 -1.948 -19.474 4.789 1.00 1.08 H new ATOM 0 HD3 PRO A 92 -3.487 -19.613 3.962 1.00 1.08 H new ATOM 1460 N LEU A 93 -2.652 -14.959 6.743 1.00 1.07 N ATOM 1461 CA LEU A 93 -1.653 -14.243 7.544 1.00 1.16 C ATOM 1462 C LEU A 93 -1.911 -14.366 9.054 1.00 1.36 C ATOM 1463 O LEU A 93 -3.051 -14.350 9.521 1.00 1.86 O ATOM 1464 CB LEU A 93 -1.567 -12.755 7.136 1.00 1.45 C ATOM 1465 CG LEU A 93 -0.891 -12.402 5.792 1.00 1.31 C ATOM 1466 CD1 LEU A 93 0.503 -13.032 5.646 1.00 2.48 C ATOM 1467 CD2 LEU A 93 -1.738 -12.760 4.564 1.00 1.30 C ATOM 0 H LEU A 93 -3.473 -14.398 6.514 1.00 1.07 H new ATOM 0 HA LEU A 93 -0.695 -14.720 7.336 1.00 1.16 H new ATOM 0 HB2 LEU A 93 -2.582 -12.358 7.112 1.00 1.45 H new ATOM 0 HB3 LEU A 93 -1.035 -12.224 7.925 1.00 1.45 H new ATOM 0 HG LEU A 93 -0.788 -11.317 5.824 1.00 1.31 H new ATOM 0 HD11 LEU A 93 0.930 -12.751 4.684 1.00 2.48 H new ATOM 0 HD12 LEU A 93 1.149 -12.676 6.448 1.00 2.48 H new ATOM 0 HD13 LEU A 93 0.420 -14.117 5.702 1.00 2.48 H new ATOM 0 HD21 LEU A 93 -1.200 -12.484 3.657 1.00 1.30 H new ATOM 0 HD22 LEU A 93 -1.934 -13.832 4.557 1.00 1.30 H new ATOM 0 HD23 LEU A 93 -2.683 -12.219 4.604 1.00 1.30 H new ATOM 1479 N LYS A 94 -0.827 -14.456 9.826 1.00 1.22 N ATOM 1480 CA LYS A 94 -0.819 -14.228 11.275 1.00 1.28 C ATOM 1481 C LYS A 94 -0.500 -12.759 11.551 1.00 1.05 C ATOM 1482 O LYS A 94 -0.558 -11.890 10.686 1.00 1.92 O ATOM 1483 CB LYS A 94 0.158 -15.181 12.038 1.00 1.76 C ATOM 1484 CG LYS A 94 0.624 -16.483 11.392 1.00 2.03 C ATOM 1485 CD LYS A 94 -0.490 -17.391 10.865 1.00 2.13 C ATOM 1486 CE LYS A 94 0.056 -18.262 9.720 1.00 3.02 C ATOM 1487 NZ LYS A 94 0.444 -17.458 8.531 1.00 3.81 N ATOM 0 H LYS A 94 0.092 -14.695 9.454 1.00 1.22 H new ATOM 0 HA LYS A 94 -1.812 -14.463 11.658 1.00 1.28 H new ATOM 0 HB2 LYS A 94 1.050 -14.603 12.279 1.00 1.76 H new ATOM 0 HB3 LYS A 94 -0.318 -15.442 12.983 1.00 1.76 H new ATOM 0 HG2 LYS A 94 1.292 -16.240 10.566 1.00 2.03 H new ATOM 0 HG3 LYS A 94 1.210 -17.042 12.122 1.00 2.03 H new ATOM 0 HD2 LYS A 94 -0.869 -18.023 11.668 1.00 2.13 H new ATOM 0 HD3 LYS A 94 -1.327 -16.789 10.511 1.00 2.13 H new ATOM 0 HE2 LYS A 94 0.921 -18.822 10.074 1.00 3.02 H new ATOM 0 HE3 LYS A 94 -0.700 -18.992 9.430 1.00 3.02 H new ATOM 0 HZ1 LYS A 94 -0.103 -17.774 7.705 1.00 3.81 H new ATOM 0 HZ2 LYS A 94 0.248 -16.453 8.713 1.00 3.81 H new ATOM 0 HZ3 LYS A 94 1.459 -17.584 8.343 1.00 3.81 H new ATOM 1501 N ALA A 95 -0.120 -12.513 12.791 1.00 1.04 N ATOM 1502 CA ALA A 95 0.704 -11.377 13.183 1.00 0.92 C ATOM 1503 C ALA A 95 2.101 -11.911 13.543 1.00 0.93 C ATOM 1504 O ALA A 95 2.206 -13.013 14.083 1.00 1.08 O ATOM 1505 CB ALA A 95 -0.013 -10.707 14.353 1.00 1.03 C ATOM 0 H ALA A 95 -0.381 -13.111 13.575 1.00 1.04 H new ATOM 0 HA ALA A 95 0.841 -10.636 12.395 1.00 0.92 H new ATOM 0 HB1 ALA A 95 0.564 -9.845 14.688 1.00 1.03 H new ATOM 0 HB2 ALA A 95 -1.002 -10.379 14.034 1.00 1.03 H new ATOM 0 HB3 ALA A 95 -0.113 -11.418 15.173 1.00 1.03 H new ATOM 1511 N GLY A 96 3.161 -11.163 13.207 1.00 0.93 N ATOM 1512 CA GLY A 96 4.554 -11.606 13.357 1.00 1.07 C ATOM 1513 C GLY A 96 5.096 -12.397 12.163 1.00 1.09 C ATOM 1514 O GLY A 96 5.893 -13.303 12.367 1.00 1.32 O ATOM 0 H GLY A 96 3.074 -10.224 12.819 1.00 0.93 H new ATOM 0 HA2 GLY A 96 5.186 -10.732 13.516 1.00 1.07 H new ATOM 0 HA3 GLY A 96 4.632 -12.223 14.252 1.00 1.07 H new ATOM 1518 N GLU A 97 4.669 -12.075 10.937 1.00 1.08 N ATOM 1519 CA GLU A 97 5.259 -12.562 9.678 1.00 1.06 C ATOM 1520 C GLU A 97 5.929 -11.407 8.916 1.00 1.01 C ATOM 1521 O GLU A 97 5.938 -10.271 9.386 1.00 1.00 O ATOM 1522 CB GLU A 97 4.186 -13.233 8.801 1.00 1.03 C ATOM 1523 CG GLU A 97 3.613 -14.470 9.497 1.00 1.29 C ATOM 1524 CD GLU A 97 2.672 -15.298 8.624 1.00 1.21 C ATOM 1525 OE1 GLU A 97 1.526 -14.860 8.392 1.00 2.17 O ATOM 1526 OE2 GLU A 97 2.949 -16.482 8.343 1.00 1.88 O ATOM 0 H GLU A 97 3.878 -11.449 10.785 1.00 1.08 H new ATOM 0 HA GLU A 97 6.019 -13.305 9.920 1.00 1.06 H new ATOM 0 HB2 GLU A 97 3.385 -12.524 8.592 1.00 1.03 H new ATOM 0 HB3 GLU A 97 4.619 -13.517 7.842 1.00 1.03 H new ATOM 0 HG2 GLU A 97 4.437 -15.103 9.826 1.00 1.29 H new ATOM 0 HG3 GLU A 97 3.077 -14.154 10.392 1.00 1.29 H new ATOM 1533 N GLU A 98 6.443 -11.679 7.722 1.00 1.04 N ATOM 1534 CA GLU A 98 7.218 -10.808 6.857 1.00 1.00 C ATOM 1535 C GLU A 98 6.834 -11.213 5.435 1.00 0.99 C ATOM 1536 O GLU A 98 6.711 -12.399 5.138 1.00 1.18 O ATOM 1537 CB GLU A 98 8.729 -11.021 7.059 1.00 1.17 C ATOM 1538 CG GLU A 98 9.261 -10.509 8.404 1.00 1.63 C ATOM 1539 CD GLU A 98 10.727 -10.905 8.588 1.00 2.09 C ATOM 1540 OE1 GLU A 98 11.557 -10.423 7.785 1.00 2.68 O ATOM 1541 OE2 GLU A 98 10.990 -11.705 9.512 1.00 3.10 O ATOM 0 H GLU A 98 6.314 -12.599 7.300 1.00 1.04 H new ATOM 0 HA GLU A 98 7.013 -9.759 7.070 1.00 1.00 H new ATOM 0 HB2 GLU A 98 8.949 -12.085 6.975 1.00 1.17 H new ATOM 0 HB3 GLU A 98 9.266 -10.520 6.254 1.00 1.17 H new ATOM 0 HG2 GLU A 98 9.163 -9.424 8.451 1.00 1.63 H new ATOM 0 HG3 GLU A 98 8.663 -10.919 9.218 1.00 1.63 H new ATOM 1548 N VAL A 99 6.583 -10.230 4.584 1.00 0.84 N ATOM 1549 CA VAL A 99 6.172 -10.408 3.183 1.00 0.85 C ATOM 1550 C VAL A 99 6.824 -9.302 2.358 1.00 0.72 C ATOM 1551 O VAL A 99 6.967 -8.177 2.835 1.00 0.68 O ATOM 1552 CB VAL A 99 4.633 -10.348 3.034 1.00 0.97 C ATOM 1553 CG1 VAL A 99 4.161 -10.548 1.584 1.00 1.19 C ATOM 1554 CG2 VAL A 99 3.892 -11.375 3.914 1.00 1.11 C ATOM 0 H VAL A 99 6.660 -9.248 4.851 1.00 0.84 H new ATOM 0 HA VAL A 99 6.492 -11.390 2.833 1.00 0.85 H new ATOM 0 HB VAL A 99 4.383 -9.341 3.367 1.00 0.97 H new ATOM 0 HG11 VAL A 99 3.073 -10.495 1.545 1.00 1.19 H new ATOM 0 HG12 VAL A 99 4.585 -9.767 0.952 1.00 1.19 H new ATOM 0 HG13 VAL A 99 4.490 -11.523 1.226 1.00 1.19 H new ATOM 0 HG21 VAL A 99 2.817 -11.278 3.760 1.00 1.11 H new ATOM 0 HG22 VAL A 99 4.208 -12.382 3.642 1.00 1.11 H new ATOM 0 HG23 VAL A 99 4.126 -11.192 4.963 1.00 1.11 H new ATOM 1564 N GLU A 100 7.218 -9.601 1.121 1.00 0.80 N ATOM 1565 CA GLU A 100 7.783 -8.611 0.208 1.00 0.76 C ATOM 1566 C GLU A 100 6.743 -8.154 -0.819 1.00 0.72 C ATOM 1567 O GLU A 100 5.881 -8.923 -1.249 1.00 0.77 O ATOM 1568 CB GLU A 100 9.117 -9.120 -0.379 1.00 1.04 C ATOM 1569 CG GLU A 100 9.173 -9.455 -1.871 1.00 2.19 C ATOM 1570 CD GLU A 100 8.351 -10.667 -2.311 1.00 2.15 C ATOM 1571 OE1 GLU A 100 7.843 -11.410 -1.445 1.00 2.74 O ATOM 1572 OE2 GLU A 100 8.281 -10.846 -3.550 1.00 3.29 O ATOM 0 H GLU A 100 7.154 -10.538 0.724 1.00 0.80 H new ATOM 0 HA GLU A 100 8.041 -7.703 0.753 1.00 0.76 H new ATOM 0 HB2 GLU A 100 9.878 -8.365 -0.179 1.00 1.04 H new ATOM 0 HB3 GLU A 100 9.403 -10.015 0.174 1.00 1.04 H new ATOM 0 HG2 GLU A 100 8.832 -8.585 -2.433 1.00 2.19 H new ATOM 0 HG3 GLU A 100 10.214 -9.625 -2.147 1.00 2.19 H new ATOM 1579 N LEU A 101 6.818 -6.882 -1.218 1.00 0.71 N ATOM 1580 CA LEU A 101 6.060 -6.322 -2.338 1.00 0.66 C ATOM 1581 C LEU A 101 7.022 -5.715 -3.368 1.00 0.66 C ATOM 1582 O LEU A 101 7.992 -5.045 -3.009 1.00 0.77 O ATOM 1583 CB LEU A 101 5.024 -5.269 -1.866 1.00 0.76 C ATOM 1584 CG LEU A 101 3.614 -5.812 -1.535 1.00 0.90 C ATOM 1585 CD1 LEU A 101 3.513 -6.620 -0.233 1.00 1.49 C ATOM 1586 CD2 LEU A 101 2.603 -4.666 -1.442 1.00 1.75 C ATOM 0 H LEU A 101 7.421 -6.198 -0.761 1.00 0.71 H new ATOM 0 HA LEU A 101 5.501 -7.133 -2.805 1.00 0.66 H new ATOM 0 HB2 LEU A 101 5.418 -4.771 -0.980 1.00 0.76 H new ATOM 0 HB3 LEU A 101 4.927 -4.509 -2.642 1.00 0.76 H new ATOM 0 HG LEU A 101 3.394 -6.492 -2.358 1.00 0.90 H new ATOM 0 HD11 LEU A 101 2.486 -6.955 -0.092 1.00 1.49 H new ATOM 0 HD12 LEU A 101 4.173 -7.486 -0.290 1.00 1.49 H new ATOM 0 HD13 LEU A 101 3.809 -5.993 0.608 1.00 1.49 H new ATOM 0 HD21 LEU A 101 1.617 -5.068 -1.208 1.00 1.75 H new ATOM 0 HD22 LEU A 101 2.908 -3.975 -0.657 1.00 1.75 H new ATOM 0 HD23 LEU A 101 2.563 -4.138 -2.395 1.00 1.75 H new ATOM 1598 N ASP A 102 6.685 -5.934 -4.641 1.00 0.65 N ATOM 1599 CA ASP A 102 7.151 -5.235 -5.845 1.00 0.70 C ATOM 1600 C ASP A 102 6.395 -3.915 -6.000 1.00 0.64 C ATOM 1601 O ASP A 102 5.170 -3.883 -5.895 1.00 0.71 O ATOM 1602 CB ASP A 102 6.829 -6.088 -7.085 1.00 0.85 C ATOM 1603 CG ASP A 102 7.846 -7.184 -7.369 1.00 1.20 C ATOM 1604 OD1 ASP A 102 9.058 -6.895 -7.468 1.00 2.23 O ATOM 1605 OD2 ASP A 102 7.431 -8.363 -7.447 1.00 2.15 O ATOM 0 H ASP A 102 6.020 -6.670 -4.879 1.00 0.65 H new ATOM 0 HA ASP A 102 8.223 -5.060 -5.754 1.00 0.70 H new ATOM 0 HB2 ASP A 102 5.848 -6.544 -6.954 1.00 0.85 H new ATOM 0 HB3 ASP A 102 6.763 -5.434 -7.955 1.00 0.85 H new ATOM 1610 N LEU A 103 7.113 -2.843 -6.310 1.00 0.70 N ATOM 1611 CA LEU A 103 6.588 -1.547 -6.688 1.00 0.70 C ATOM 1612 C LEU A 103 6.721 -1.438 -8.212 1.00 0.69 C ATOM 1613 O LEU A 103 7.810 -1.610 -8.765 1.00 0.81 O ATOM 1614 CB LEU A 103 7.410 -0.471 -5.959 1.00 0.81 C ATOM 1615 CG LEU A 103 7.224 -0.383 -4.426 1.00 0.89 C ATOM 1616 CD1 LEU A 103 7.549 -1.646 -3.609 1.00 0.98 C ATOM 1617 CD2 LEU A 103 8.113 0.755 -3.916 1.00 1.29 C ATOM 0 H LEU A 103 8.133 -2.861 -6.302 1.00 0.70 H new ATOM 0 HA LEU A 103 5.542 -1.415 -6.413 1.00 0.70 H new ATOM 0 HB2 LEU A 103 8.465 -0.650 -6.165 1.00 0.81 H new ATOM 0 HB3 LEU A 103 7.161 0.499 -6.389 1.00 0.81 H new ATOM 0 HG LEU A 103 6.156 -0.225 -4.277 1.00 0.89 H new ATOM 0 HD11 LEU A 103 7.377 -1.449 -2.551 1.00 0.98 H new ATOM 0 HD12 LEU A 103 6.908 -2.465 -3.935 1.00 0.98 H new ATOM 0 HD13 LEU A 103 8.593 -1.919 -3.762 1.00 0.98 H new ATOM 0 HD21 LEU A 103 8.005 0.844 -2.835 1.00 1.29 H new ATOM 0 HD22 LEU A 103 9.154 0.541 -4.161 1.00 1.29 H new ATOM 0 HD23 LEU A 103 7.814 1.690 -4.389 1.00 1.29 H new ATOM 1629 N LEU A 104 5.605 -1.189 -8.899 1.00 0.63 N ATOM 1630 CA LEU A 104 5.565 -1.008 -10.346 1.00 0.65 C ATOM 1631 C LEU A 104 5.596 0.496 -10.634 1.00 0.63 C ATOM 1632 O LEU A 104 4.612 1.212 -10.417 1.00 0.65 O ATOM 1633 CB LEU A 104 4.313 -1.694 -10.932 1.00 0.64 C ATOM 1634 CG LEU A 104 4.110 -3.175 -10.542 1.00 0.68 C ATOM 1635 CD1 LEU A 104 2.841 -3.711 -11.218 1.00 0.85 C ATOM 1636 CD2 LEU A 104 5.305 -4.062 -10.919 1.00 0.75 C ATOM 0 H LEU A 104 4.690 -1.107 -8.456 1.00 0.63 H new ATOM 0 HA LEU A 104 6.426 -1.474 -10.824 1.00 0.65 H new ATOM 0 HB2 LEU A 104 3.434 -1.132 -10.617 1.00 0.64 H new ATOM 0 HB3 LEU A 104 4.362 -1.628 -12.019 1.00 0.64 H new ATOM 0 HG LEU A 104 4.014 -3.212 -9.457 1.00 0.68 H new ATOM 0 HD11 LEU A 104 2.696 -4.756 -10.944 1.00 0.85 H new ATOM 0 HD12 LEU A 104 1.980 -3.128 -10.891 1.00 0.85 H new ATOM 0 HD13 LEU A 104 2.944 -3.631 -12.300 1.00 0.85 H new ATOM 0 HD21 LEU A 104 5.103 -5.091 -10.620 1.00 0.75 H new ATOM 0 HD22 LEU A 104 5.462 -4.022 -11.997 1.00 0.75 H new ATOM 0 HD23 LEU A 104 6.199 -3.704 -10.408 1.00 0.75 H new ATOM 1648 N PHE A 105 6.744 1.003 -11.078 1.00 0.60 N ATOM 1649 CA PHE A 105 6.964 2.417 -11.373 1.00 0.61 C ATOM 1650 C PHE A 105 6.769 2.710 -12.866 1.00 0.63 C ATOM 1651 O PHE A 105 7.401 2.071 -13.710 1.00 0.81 O ATOM 1652 CB PHE A 105 8.377 2.810 -10.951 1.00 0.75 C ATOM 1653 CG PHE A 105 8.622 2.758 -9.462 1.00 0.79 C ATOM 1654 CD1 PHE A 105 8.178 3.807 -8.634 1.00 1.76 C ATOM 1655 CD2 PHE A 105 9.319 1.672 -8.901 1.00 2.09 C ATOM 1656 CE1 PHE A 105 8.504 3.806 -7.269 1.00 1.74 C ATOM 1657 CE2 PHE A 105 9.618 1.659 -7.532 1.00 2.18 C ATOM 1658 CZ PHE A 105 9.238 2.740 -6.720 1.00 1.00 C ATOM 0 H PHE A 105 7.568 0.427 -11.247 1.00 0.60 H new ATOM 0 HA PHE A 105 6.233 3.002 -10.815 1.00 0.61 H new ATOM 0 HB2 PHE A 105 9.088 2.149 -11.447 1.00 0.75 H new ATOM 0 HB3 PHE A 105 8.581 3.821 -11.305 1.00 0.75 H new ATOM 0 HD1 PHE A 105 7.588 4.611 -9.049 1.00 1.76 H new ATOM 0 HD2 PHE A 105 9.624 0.847 -9.527 1.00 2.09 H new ATOM 0 HE1 PHE A 105 8.191 4.625 -6.639 1.00 1.74 H new ATOM 0 HE2 PHE A 105 10.141 0.818 -7.101 1.00 2.18 H new ATOM 0 HZ PHE A 105 9.509 2.752 -5.675 1.00 1.00 H new ATOM 1668 N ALA A 106 5.947 3.721 -13.173 1.00 0.61 N ATOM 1669 CA ALA A 106 5.664 4.236 -14.516 1.00 0.72 C ATOM 1670 C ALA A 106 5.405 3.114 -15.546 1.00 2.07 C ATOM 1671 O ALA A 106 5.914 3.152 -16.666 1.00 2.94 O ATOM 1672 CB ALA A 106 6.777 5.219 -14.911 1.00 1.30 C ATOM 0 H ALA A 106 5.435 4.228 -12.452 1.00 0.61 H new ATOM 0 HA ALA A 106 4.723 4.786 -14.506 1.00 0.72 H new ATOM 0 HB1 ALA A 106 6.579 5.610 -15.909 1.00 1.30 H new ATOM 0 HB2 ALA A 106 6.805 6.042 -14.197 1.00 1.30 H new ATOM 0 HB3 ALA A 106 7.737 4.702 -14.907 1.00 1.30 H new ATOM 1678 N GLY A 107 4.670 2.077 -15.128 1.00 3.08 N ATOM 1679 CA GLY A 107 4.487 0.836 -15.877 1.00 4.52 C ATOM 1680 C GLY A 107 5.553 -0.198 -15.517 1.00 4.43 C ATOM 1681 O GLY A 107 5.368 -0.973 -14.583 1.00 5.90 O ATOM 0 H GLY A 107 4.175 2.081 -14.236 1.00 3.08 H new ATOM 0 HA2 GLY A 107 3.498 0.427 -15.670 1.00 4.52 H new ATOM 0 HA3 GLY A 107 4.528 1.046 -16.946 1.00 4.52 H new ATOM 1685 N GLY A 108 6.634 -0.242 -16.302 1.00 2.93 N ATOM 1686 CA GLY A 108 7.539 -1.402 -16.371 1.00 3.08 C ATOM 1687 C GLY A 108 8.761 -1.390 -15.448 1.00 2.59 C ATOM 1688 O GLY A 108 9.483 -2.382 -15.412 1.00 3.12 O ATOM 0 H GLY A 108 6.910 0.528 -16.912 1.00 2.93 H new ATOM 0 HA2 GLY A 108 6.958 -2.298 -16.151 1.00 3.08 H new ATOM 0 HA3 GLY A 108 7.892 -1.495 -17.398 1.00 3.08 H new ATOM 1692 N LYS A 109 9.059 -0.308 -14.719 1.00 1.74 N ATOM 1693 CA LYS A 109 10.204 -0.327 -13.796 1.00 1.52 C ATOM 1694 C LYS A 109 9.830 -1.015 -12.482 1.00 1.06 C ATOM 1695 O LYS A 109 9.158 -0.416 -11.650 1.00 0.70 O ATOM 1696 CB LYS A 109 10.746 1.086 -13.556 1.00 1.62 C ATOM 1697 CG LYS A 109 11.750 1.455 -14.649 1.00 2.18 C ATOM 1698 CD LYS A 109 12.120 2.946 -14.639 1.00 2.36 C ATOM 1699 CE LYS A 109 12.706 3.392 -13.291 1.00 2.12 C ATOM 1700 NZ LYS A 109 13.081 4.830 -13.298 1.00 2.61 N ATOM 0 H LYS A 109 8.541 0.570 -14.746 1.00 1.74 H new ATOM 0 HA LYS A 109 11.003 -0.906 -14.259 1.00 1.52 H new ATOM 0 HB2 LYS A 109 9.925 1.803 -13.548 1.00 1.62 H new ATOM 0 HB3 LYS A 109 11.225 1.139 -12.578 1.00 1.62 H new ATOM 0 HG2 LYS A 109 12.654 0.860 -14.521 1.00 2.18 H new ATOM 0 HG3 LYS A 109 11.333 1.195 -15.622 1.00 2.18 H new ATOM 0 HD2 LYS A 109 12.843 3.144 -15.430 1.00 2.36 H new ATOM 0 HD3 LYS A 109 11.233 3.540 -14.862 1.00 2.36 H new ATOM 0 HE2 LYS A 109 11.977 3.211 -12.501 1.00 2.12 H new ATOM 0 HE3 LYS A 109 13.584 2.789 -13.060 1.00 2.12 H new ATOM 0 HZ1 LYS A 109 13.472 5.091 -12.370 1.00 2.61 H new ATOM 0 HZ2 LYS A 109 13.795 4.999 -14.035 1.00 2.61 H new ATOM 0 HZ3 LYS A 109 12.238 5.408 -13.493 1.00 2.61 H new ATOM 1714 N VAL A 110 10.303 -2.241 -12.310 1.00 1.51 N ATOM 1715 CA VAL A 110 10.000 -3.090 -11.147 1.00 1.37 C ATOM 1716 C VAL A 110 11.141 -3.068 -10.127 1.00 1.43 C ATOM 1717 O VAL A 110 12.305 -3.199 -10.504 1.00 1.66 O ATOM 1718 CB VAL A 110 9.699 -4.551 -11.563 1.00 1.37 C ATOM 1719 CG1 VAL A 110 9.220 -5.394 -10.371 1.00 1.98 C ATOM 1720 CG2 VAL A 110 8.635 -4.613 -12.673 1.00 2.46 C ATOM 0 H VAL A 110 10.922 -2.691 -12.985 1.00 1.51 H new ATOM 0 HA VAL A 110 9.106 -2.674 -10.683 1.00 1.37 H new ATOM 0 HB VAL A 110 10.637 -4.962 -11.938 1.00 1.37 H new ATOM 0 HG11 VAL A 110 9.019 -6.413 -10.703 1.00 1.98 H new ATOM 0 HG12 VAL A 110 9.992 -5.409 -9.602 1.00 1.98 H new ATOM 0 HG13 VAL A 110 8.308 -4.960 -9.961 1.00 1.98 H new ATOM 0 HG21 VAL A 110 8.448 -5.653 -12.940 1.00 2.46 H new ATOM 0 HG22 VAL A 110 7.711 -4.158 -12.317 1.00 2.46 H new ATOM 0 HG23 VAL A 110 8.991 -4.071 -13.549 1.00 2.46 H new ATOM 1730 N LEU A 111 10.794 -2.930 -8.843 1.00 1.28 N ATOM 1731 CA LEU A 111 11.711 -3.007 -7.697 1.00 1.36 C ATOM 1732 C LEU A 111 10.924 -3.416 -6.446 1.00 1.05 C ATOM 1733 O LEU A 111 9.907 -2.807 -6.147 1.00 1.16 O ATOM 1734 CB LEU A 111 12.408 -1.637 -7.550 1.00 1.76 C ATOM 1735 CG LEU A 111 13.430 -1.513 -6.396 1.00 1.75 C ATOM 1736 CD1 LEU A 111 14.494 -0.465 -6.764 1.00 2.24 C ATOM 1737 CD2 LEU A 111 12.782 -1.082 -5.067 1.00 1.93 C ATOM 0 H LEU A 111 9.830 -2.755 -8.561 1.00 1.28 H new ATOM 0 HA LEU A 111 12.482 -3.763 -7.845 1.00 1.36 H new ATOM 0 HB2 LEU A 111 12.918 -1.410 -8.486 1.00 1.76 H new ATOM 0 HB3 LEU A 111 11.641 -0.875 -7.412 1.00 1.76 H new ATOM 0 HG LEU A 111 13.868 -2.502 -6.258 1.00 1.75 H new ATOM 0 HD11 LEU A 111 15.215 -0.377 -5.951 1.00 2.24 H new ATOM 0 HD12 LEU A 111 15.009 -0.773 -7.674 1.00 2.24 H new ATOM 0 HD13 LEU A 111 14.013 0.499 -6.928 1.00 2.24 H new ATOM 0 HD21 LEU A 111 13.548 -1.012 -4.295 1.00 1.93 H new ATOM 0 HD22 LEU A 111 12.304 -0.110 -5.193 1.00 1.93 H new ATOM 0 HD23 LEU A 111 12.035 -1.818 -4.771 1.00 1.93 H new ATOM 1749 N LYS A 112 11.385 -4.425 -5.700 1.00 1.05 N ATOM 1750 CA LYS A 112 10.731 -4.877 -4.459 1.00 0.95 C ATOM 1751 C LYS A 112 11.413 -4.415 -3.166 1.00 1.00 C ATOM 1752 O LYS A 112 12.633 -4.274 -3.094 1.00 1.27 O ATOM 1753 CB LYS A 112 10.517 -6.407 -4.433 1.00 1.33 C ATOM 1754 CG LYS A 112 11.690 -7.216 -4.993 1.00 1.89 C ATOM 1755 CD LYS A 112 11.584 -8.729 -4.739 1.00 1.59 C ATOM 1756 CE LYS A 112 10.212 -9.348 -5.043 1.00 2.35 C ATOM 1757 NZ LYS A 112 9.836 -9.318 -6.471 1.00 3.74 N ATOM 0 H LYS A 112 12.224 -4.955 -5.937 1.00 1.05 H new ATOM 0 HA LYS A 112 9.760 -4.382 -4.483 1.00 0.95 H new ATOM 0 HB2 LYS A 112 10.333 -6.719 -3.405 1.00 1.33 H new ATOM 0 HB3 LYS A 112 9.620 -6.647 -5.004 1.00 1.33 H new ATOM 0 HG2 LYS A 112 11.758 -7.042 -6.067 1.00 1.89 H new ATOM 0 HG3 LYS A 112 12.616 -6.848 -4.551 1.00 1.89 H new ATOM 0 HD2 LYS A 112 12.336 -9.236 -5.344 1.00 1.59 H new ATOM 0 HD3 LYS A 112 11.830 -8.924 -3.695 1.00 1.59 H new ATOM 0 HE2 LYS A 112 10.209 -10.383 -4.700 1.00 2.35 H new ATOM 0 HE3 LYS A 112 9.452 -8.819 -4.468 1.00 2.35 H new ATOM 0 HZ1 LYS A 112 8.826 -9.545 -6.569 1.00 3.74 H new ATOM 0 HZ2 LYS A 112 10.017 -8.370 -6.858 1.00 3.74 H new ATOM 0 HZ3 LYS A 112 10.400 -10.018 -6.993 1.00 3.74 H new ATOM 1771 N VAL A 113 10.590 -4.316 -2.123 1.00 0.90 N ATOM 1772 CA VAL A 113 10.947 -4.038 -0.715 1.00 1.02 C ATOM 1773 C VAL A 113 10.267 -5.086 0.189 1.00 0.91 C ATOM 1774 O VAL A 113 9.318 -5.738 -0.242 1.00 0.91 O ATOM 1775 CB VAL A 113 10.552 -2.594 -0.280 1.00 1.24 C ATOM 1776 CG1 VAL A 113 11.298 -2.162 0.997 1.00 1.70 C ATOM 1777 CG2 VAL A 113 10.838 -1.544 -1.370 1.00 2.14 C ATOM 0 H VAL A 113 9.583 -4.435 -2.238 1.00 0.90 H new ATOM 0 HA VAL A 113 12.030 -4.106 -0.615 1.00 1.02 H new ATOM 0 HB VAL A 113 9.478 -2.636 -0.096 1.00 1.24 H new ATOM 0 HG11 VAL A 113 10.997 -1.150 1.270 1.00 1.70 H new ATOM 0 HG12 VAL A 113 11.053 -2.845 1.810 1.00 1.70 H new ATOM 0 HG13 VAL A 113 12.373 -2.184 0.816 1.00 1.70 H new ATOM 0 HG21 VAL A 113 10.543 -0.558 -1.011 1.00 2.14 H new ATOM 0 HG22 VAL A 113 11.903 -1.542 -1.603 1.00 2.14 H new ATOM 0 HG23 VAL A 113 10.271 -1.788 -2.268 1.00 2.14 H new ATOM 1787 N VAL A 114 10.752 -5.248 1.423 1.00 0.99 N ATOM 1788 CA VAL A 114 10.263 -6.215 2.429 1.00 0.93 C ATOM 1789 C VAL A 114 9.557 -5.451 3.556 1.00 0.93 C ATOM 1790 O VAL A 114 9.939 -4.324 3.860 1.00 1.12 O ATOM 1791 CB VAL A 114 11.418 -7.080 3.002 1.00 1.05 C ATOM 1792 CG1 VAL A 114 10.913 -8.135 4.003 1.00 1.46 C ATOM 1793 CG2 VAL A 114 12.187 -7.812 1.885 1.00 2.09 C ATOM 0 H VAL A 114 11.530 -4.688 1.771 1.00 0.99 H new ATOM 0 HA VAL A 114 9.561 -6.895 1.945 1.00 0.93 H new ATOM 0 HB VAL A 114 12.080 -6.383 3.515 1.00 1.05 H new ATOM 0 HG11 VAL A 114 11.757 -8.715 4.377 1.00 1.46 H new ATOM 0 HG12 VAL A 114 10.417 -7.638 4.837 1.00 1.46 H new ATOM 0 HG13 VAL A 114 10.207 -8.800 3.506 1.00 1.46 H new ATOM 0 HG21 VAL A 114 12.988 -8.407 2.324 1.00 2.09 H new ATOM 0 HG22 VAL A 114 11.505 -8.466 1.342 1.00 2.09 H new ATOM 0 HG23 VAL A 114 12.613 -7.081 1.198 1.00 2.09 H new ATOM 1803 N LEU A 115 8.522 -6.052 4.156 1.00 0.84 N ATOM 1804 CA LEU A 115 7.703 -5.434 5.199 1.00 0.89 C ATOM 1805 C LEU A 115 7.103 -6.495 6.157 1.00 0.83 C ATOM 1806 O LEU A 115 6.639 -7.533 5.673 1.00 0.86 O ATOM 1807 CB LEU A 115 6.619 -4.519 4.586 1.00 1.07 C ATOM 1808 CG LEU A 115 5.784 -5.028 3.388 1.00 1.20 C ATOM 1809 CD1 LEU A 115 4.493 -4.203 3.295 1.00 1.99 C ATOM 1810 CD2 LEU A 115 6.530 -4.874 2.052 1.00 2.06 C ATOM 0 H LEU A 115 8.227 -7.000 3.923 1.00 0.84 H new ATOM 0 HA LEU A 115 8.353 -4.801 5.803 1.00 0.89 H new ATOM 0 HB2 LEU A 115 5.922 -4.258 5.383 1.00 1.07 H new ATOM 0 HB3 LEU A 115 7.108 -3.596 4.275 1.00 1.07 H new ATOM 0 HG LEU A 115 5.583 -6.086 3.557 1.00 1.20 H new ATOM 0 HD11 LEU A 115 3.897 -4.554 2.453 1.00 1.99 H new ATOM 0 HD12 LEU A 115 3.922 -4.316 4.216 1.00 1.99 H new ATOM 0 HD13 LEU A 115 4.743 -3.152 3.150 1.00 1.99 H new ATOM 0 HD21 LEU A 115 5.904 -5.245 1.241 1.00 2.06 H new ATOM 0 HD22 LEU A 115 6.759 -3.822 1.882 1.00 2.06 H new ATOM 0 HD23 LEU A 115 7.457 -5.446 2.085 1.00 2.06 H new ATOM 1822 N PRO A 116 7.078 -6.267 7.488 1.00 0.84 N ATOM 1823 CA PRO A 116 6.445 -7.161 8.457 1.00 0.87 C ATOM 1824 C PRO A 116 4.910 -7.121 8.396 1.00 0.80 C ATOM 1825 O PRO A 116 4.314 -6.160 7.909 1.00 0.80 O ATOM 1826 CB PRO A 116 6.962 -6.719 9.831 1.00 0.99 C ATOM 1827 CG PRO A 116 7.260 -5.237 9.632 1.00 0.96 C ATOM 1828 CD PRO A 116 7.777 -5.201 8.197 1.00 0.92 C ATOM 0 HA PRO A 116 6.701 -8.198 8.240 1.00 0.87 H new ATOM 0 HB2 PRO A 116 6.218 -6.879 10.611 1.00 0.99 H new ATOM 0 HB3 PRO A 116 7.854 -7.273 10.123 1.00 0.99 H new ATOM 0 HG2 PRO A 116 6.369 -4.622 9.759 1.00 0.96 H new ATOM 0 HG3 PRO A 116 8.003 -4.872 10.341 1.00 0.96 H new ATOM 0 HD2 PRO A 116 7.581 -4.233 7.736 1.00 0.92 H new ATOM 0 HD3 PRO A 116 8.856 -5.355 8.167 1.00 0.92 H new ATOM 1836 N VAL A 117 4.268 -8.156 8.938 1.00 0.81 N ATOM 1837 CA VAL A 117 2.812 -8.274 9.141 1.00 0.81 C ATOM 1838 C VAL A 117 2.486 -8.112 10.635 1.00 0.87 C ATOM 1839 O VAL A 117 3.077 -8.808 11.464 1.00 0.95 O ATOM 1840 CB VAL A 117 2.311 -9.657 8.660 1.00 0.87 C ATOM 1841 CG1 VAL A 117 0.781 -9.716 8.628 1.00 0.92 C ATOM 1842 CG2 VAL A 117 2.849 -10.043 7.267 1.00 0.91 C ATOM 0 H VAL A 117 4.770 -8.981 9.267 1.00 0.81 H new ATOM 0 HA VAL A 117 2.315 -7.494 8.565 1.00 0.81 H new ATOM 0 HB VAL A 117 2.697 -10.373 9.386 1.00 0.87 H new ATOM 0 HG11 VAL A 117 0.462 -10.700 8.286 1.00 0.92 H new ATOM 0 HG12 VAL A 117 0.389 -9.535 9.629 1.00 0.92 H new ATOM 0 HG13 VAL A 117 0.402 -8.955 7.947 1.00 0.92 H new ATOM 0 HG21 VAL A 117 2.462 -11.023 6.986 1.00 0.91 H new ATOM 0 HG22 VAL A 117 2.528 -9.302 6.535 1.00 0.91 H new ATOM 0 HG23 VAL A 117 3.938 -10.077 7.294 1.00 0.91 H new ATOM 1852 N GLU A 118 1.552 -7.227 11.003 1.00 0.97 N ATOM 1853 CA GLU A 118 1.230 -6.891 12.388 1.00 1.11 C ATOM 1854 C GLU A 118 -0.234 -6.423 12.516 1.00 1.25 C ATOM 1855 O GLU A 118 -0.769 -5.750 11.637 1.00 1.77 O ATOM 1856 CB GLU A 118 2.221 -5.811 12.887 1.00 1.51 C ATOM 1857 CG GLU A 118 1.848 -5.366 14.301 1.00 1.98 C ATOM 1858 CD GLU A 118 2.818 -4.408 14.985 1.00 2.47 C ATOM 1859 OE1 GLU A 118 3.194 -3.390 14.370 1.00 3.04 O ATOM 1860 OE2 GLU A 118 2.989 -4.550 16.219 1.00 3.46 O ATOM 0 H GLU A 118 0.987 -6.714 10.326 1.00 0.97 H new ATOM 0 HA GLU A 118 1.332 -7.778 13.013 1.00 1.11 H new ATOM 0 HB2 GLU A 118 3.237 -6.207 12.878 1.00 1.51 H new ATOM 0 HB3 GLU A 118 2.207 -4.955 12.213 1.00 1.51 H new ATOM 0 HG2 GLU A 118 0.868 -4.891 14.263 1.00 1.98 H new ATOM 0 HG3 GLU A 118 1.748 -6.255 14.924 1.00 1.98 H new