USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 : +bothHN:sc= -0.853 K(o=0.68,f=-1.8!) USER MOD Set 1.2: A 48 THR OG1 : rot 16:sc= 0.718 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.815 K(o=0.68,f=-3.2!) USER MOD Single : A 11 SER OG : rot -173:sc= 1.22 USER MOD Single : A 15 ASN : amide:sc=-0.00615 K(o=-0.0061,f=-0.96) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 24 ASN : amide:sc= 0.394 K(o=0.39,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 84:sc= 0.222 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.521 (180deg=-0.163) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.576 (180deg=0.502) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -170:sc= -0.0143 (180deg=-0.187) USER MOD Single : A 72 LYS NZ :NH3+ 134:sc= 0.696 (180deg=0.294!) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 2.28 (180deg=2.25) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= 0.457 (180deg=-1.61!) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc=-5.77e-05 (180deg=-0.196) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 1.09 (180deg=0.843) USER MOD Single : A 112 LYS NZ :NH3+ -155:sc= -0.139! (180deg=-0.628!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.841 -2.722 10.464 1.00 1.67 N ATOM 56 CA GLU A 5 3.531 -3.309 10.207 1.00 1.47 C ATOM 57 C GLU A 5 2.634 -2.419 9.327 1.00 1.21 C ATOM 58 O GLU A 5 3.024 -1.342 8.866 1.00 1.69 O ATOM 59 CB GLU A 5 2.848 -3.612 11.546 1.00 2.18 C ATOM 60 CG GLU A 5 3.626 -4.609 12.415 1.00 3.18 C ATOM 61 CD GLU A 5 2.735 -5.200 13.512 1.00 4.38 C ATOM 62 OE1 GLU A 5 2.071 -4.397 14.207 1.00 4.94 O ATOM 63 OE2 GLU A 5 2.716 -6.445 13.627 1.00 5.48 O ATOM 0 HA GLU A 5 3.684 -4.230 9.645 1.00 1.47 H new ATOM 0 HB2 GLU A 5 2.721 -2.681 12.099 1.00 2.18 H new ATOM 0 HB3 GLU A 5 1.851 -4.009 11.355 1.00 2.18 H new ATOM 0 HG2 GLU A 5 4.019 -5.411 11.790 1.00 3.18 H new ATOM 0 HG3 GLU A 5 4.482 -4.110 12.868 1.00 3.18 H new ATOM 70 N GLY A 6 1.419 -2.905 9.071 1.00 1.01 N ATOM 71 CA GLY A 6 0.376 -2.274 8.268 1.00 0.87 C ATOM 72 C GLY A 6 -1.022 -2.758 8.631 1.00 0.77 C ATOM 73 O GLY A 6 -1.191 -3.582 9.524 1.00 0.85 O ATOM 0 H GLY A 6 1.120 -3.806 9.443 1.00 1.01 H new ATOM 0 HA2 GLY A 6 0.427 -1.193 8.399 1.00 0.87 H new ATOM 0 HA3 GLY A 6 0.563 -2.476 7.213 1.00 0.87 H new ATOM 77 N TRP A 7 -2.015 -2.270 7.893 1.00 0.73 N ATOM 78 CA TRP A 7 -3.404 -2.728 7.948 1.00 0.71 C ATOM 79 C TRP A 7 -4.066 -2.596 6.570 1.00 0.66 C ATOM 80 O TRP A 7 -3.781 -1.661 5.814 1.00 0.66 O ATOM 81 CB TRP A 7 -4.189 -1.964 9.025 1.00 0.81 C ATOM 82 CG TRP A 7 -4.388 -0.502 8.767 1.00 0.72 C ATOM 83 CD1 TRP A 7 -5.502 0.062 8.247 1.00 0.80 C ATOM 84 CD2 TRP A 7 -3.444 0.595 8.965 1.00 0.92 C ATOM 85 NE1 TRP A 7 -5.323 1.427 8.131 1.00 1.09 N ATOM 86 CE2 TRP A 7 -4.061 1.807 8.536 1.00 1.20 C ATOM 87 CE3 TRP A 7 -2.120 0.686 9.454 1.00 1.09 C ATOM 88 CZ2 TRP A 7 -3.399 3.043 8.579 1.00 1.64 C ATOM 89 CZ3 TRP A 7 -1.443 1.919 9.497 1.00 1.46 C ATOM 90 CH2 TRP A 7 -2.079 3.094 9.062 1.00 1.75 C ATOM 0 H TRP A 7 -1.872 -1.520 7.217 1.00 0.73 H new ATOM 0 HA TRP A 7 -3.412 -3.782 8.224 1.00 0.71 H new ATOM 0 HB2 TRP A 7 -5.167 -2.431 9.136 1.00 0.81 H new ATOM 0 HB3 TRP A 7 -3.671 -2.079 9.977 1.00 0.81 H new ATOM 0 HD1 TRP A 7 -6.396 -0.474 7.965 1.00 0.80 H new ATOM 0 HE1 TRP A 7 -6.035 2.072 7.789 1.00 1.09 H new ATOM 0 HE3 TRP A 7 -1.620 -0.206 9.800 1.00 1.09 H new ATOM 0 HZ2 TRP A 7 -3.896 3.942 8.246 1.00 1.64 H new ATOM 0 HZ3 TRP A 7 -0.429 1.962 9.866 1.00 1.46 H new ATOM 0 HH2 TRP A 7 -1.554 4.037 9.099 1.00 1.75 H new ATOM 101 N VAL A 8 -4.973 -3.513 6.243 1.00 0.84 N ATOM 102 CA VAL A 8 -5.823 -3.388 5.047 1.00 0.88 C ATOM 103 C VAL A 8 -7.103 -2.643 5.440 1.00 0.96 C ATOM 104 O VAL A 8 -7.584 -2.777 6.565 1.00 0.94 O ATOM 105 CB VAL A 8 -6.066 -4.760 4.385 1.00 0.97 C ATOM 106 CG1 VAL A 8 -7.044 -4.683 3.200 1.00 1.13 C ATOM 107 CG2 VAL A 8 -4.721 -5.323 3.897 1.00 0.95 C ATOM 0 H VAL A 8 -5.144 -4.358 6.789 1.00 0.84 H new ATOM 0 HA VAL A 8 -5.323 -2.800 4.277 1.00 0.88 H new ATOM 0 HB VAL A 8 -6.517 -5.412 5.134 1.00 0.97 H new ATOM 0 HG11 VAL A 8 -7.177 -5.677 2.773 1.00 1.13 H new ATOM 0 HG12 VAL A 8 -8.006 -4.305 3.546 1.00 1.13 H new ATOM 0 HG13 VAL A 8 -6.643 -4.013 2.440 1.00 1.13 H new ATOM 0 HG21 VAL A 8 -4.882 -6.293 3.427 1.00 0.95 H new ATOM 0 HG22 VAL A 8 -4.281 -4.638 3.173 1.00 0.95 H new ATOM 0 HG23 VAL A 8 -4.046 -5.438 4.745 1.00 0.95 H new ATOM 117 N ARG A 9 -7.612 -1.785 4.553 1.00 1.05 N ATOM 118 CA ARG A 9 -8.752 -0.917 4.848 1.00 1.13 C ATOM 119 C ARG A 9 -10.093 -1.613 4.599 1.00 1.24 C ATOM 120 O ARG A 9 -10.324 -2.162 3.524 1.00 2.24 O ATOM 121 CB ARG A 9 -8.635 0.371 4.027 1.00 1.17 C ATOM 122 CG ARG A 9 -9.643 1.411 4.521 1.00 1.40 C ATOM 123 CD ARG A 9 -9.403 2.768 3.864 1.00 1.64 C ATOM 124 NE ARG A 9 -10.172 3.793 4.569 1.00 1.92 N ATOM 125 CZ ARG A 9 -11.422 4.169 4.353 1.00 2.68 C ATOM 126 NH1 ARG A 9 -12.089 3.801 3.273 1.00 3.38 N ATOM 127 NH2 ARG A 9 -11.998 4.920 5.264 1.00 3.51 N ATOM 0 H ARG A 9 -7.244 -1.673 3.608 1.00 1.05 H new ATOM 0 HA ARG A 9 -8.728 -0.673 5.910 1.00 1.13 H new ATOM 0 HB2 ARG A 9 -7.623 0.769 4.106 1.00 1.17 H new ATOM 0 HB3 ARG A 9 -8.812 0.156 2.973 1.00 1.17 H new ATOM 0 HG2 ARG A 9 -10.656 1.072 4.302 1.00 1.40 H new ATOM 0 HG3 ARG A 9 -9.567 1.510 5.604 1.00 1.40 H new ATOM 0 HD2 ARG A 9 -8.341 3.013 3.889 1.00 1.64 H new ATOM 0 HD3 ARG A 9 -9.698 2.734 2.815 1.00 1.64 H new ATOM 0 HE ARG A 9 -9.684 4.279 5.321 1.00 1.92 H new ATOM 0 HH11 ARG A 9 -11.641 3.209 2.574 1.00 3.38 H new ATOM 0 HH12 ARG A 9 -13.052 4.109 3.139 1.00 3.38 H new ATOM 0 HH21 ARG A 9 -11.482 5.192 6.101 1.00 3.51 H new ATOM 0 HH22 ARG A 9 -12.961 5.231 5.134 1.00 3.51 H new ATOM 141 N PHE A 10 -10.987 -1.509 5.585 1.00 0.85 N ATOM 142 CA PHE A 10 -12.400 -1.890 5.538 1.00 0.84 C ATOM 143 C PHE A 10 -13.075 -1.508 4.213 1.00 0.95 C ATOM 144 O PHE A 10 -12.963 -0.367 3.762 1.00 1.24 O ATOM 145 CB PHE A 10 -13.093 -1.173 6.714 1.00 1.09 C ATOM 146 CG PHE A 10 -14.610 -1.249 6.792 1.00 1.15 C ATOM 147 CD1 PHE A 10 -15.412 -0.492 5.911 1.00 1.98 C ATOM 148 CD2 PHE A 10 -15.232 -2.028 7.786 1.00 1.62 C ATOM 149 CE1 PHE A 10 -16.811 -0.593 5.959 1.00 2.02 C ATOM 150 CE2 PHE A 10 -16.635 -2.127 7.838 1.00 1.82 C ATOM 151 CZ PHE A 10 -17.422 -1.424 6.911 1.00 1.48 C ATOM 0 H PHE A 10 -10.726 -1.132 6.496 1.00 0.85 H new ATOM 0 HA PHE A 10 -12.484 -2.974 5.614 1.00 0.84 H new ATOM 0 HB2 PHE A 10 -12.689 -1.580 7.641 1.00 1.09 H new ATOM 0 HB3 PHE A 10 -12.811 -0.121 6.679 1.00 1.09 H new ATOM 0 HD1 PHE A 10 -14.946 0.169 5.195 1.00 1.98 H new ATOM 0 HD2 PHE A 10 -14.629 -2.553 8.513 1.00 1.62 H new ATOM 0 HE1 PHE A 10 -17.417 -0.031 5.264 1.00 2.02 H new ATOM 0 HE2 PHE A 10 -17.106 -2.743 8.590 1.00 1.82 H new ATOM 0 HZ PHE A 10 -18.497 -1.523 6.931 1.00 1.48 H new ATOM 161 N SER A 11 -13.883 -2.430 3.696 1.00 1.00 N ATOM 162 CA SER A 11 -14.864 -2.245 2.631 1.00 1.37 C ATOM 163 C SER A 11 -15.673 -3.538 2.392 1.00 1.61 C ATOM 164 O SER A 11 -15.078 -4.590 2.139 1.00 1.78 O ATOM 165 CB SER A 11 -14.188 -1.846 1.319 1.00 1.62 C ATOM 166 OG SER A 11 -15.164 -1.512 0.351 1.00 2.76 O ATOM 0 H SER A 11 -13.868 -3.392 4.034 1.00 1.00 H new ATOM 0 HA SER A 11 -15.534 -1.447 2.952 1.00 1.37 H new ATOM 0 HB2 SER A 11 -13.525 -0.997 1.486 1.00 1.62 H new ATOM 0 HB3 SER A 11 -13.570 -2.667 0.955 1.00 1.62 H new ATOM 0 HG SER A 11 -14.729 -1.361 -0.514 1.00 2.76 H new ATOM 172 N PRO A 12 -17.019 -3.483 2.421 1.00 1.85 N ATOM 173 CA PRO A 12 -17.890 -4.539 1.908 1.00 2.13 C ATOM 174 C PRO A 12 -18.181 -4.372 0.402 1.00 1.90 C ATOM 175 O PRO A 12 -18.942 -5.162 -0.157 1.00 2.56 O ATOM 176 CB PRO A 12 -19.170 -4.392 2.736 1.00 2.57 C ATOM 177 CG PRO A 12 -19.287 -2.878 2.892 1.00 2.49 C ATOM 178 CD PRO A 12 -17.831 -2.427 3.016 1.00 2.07 C ATOM 0 HA PRO A 12 -17.434 -5.525 1.998 1.00 2.13 H new ATOM 0 HB2 PRO A 12 -20.035 -4.816 2.226 1.00 2.57 H new ATOM 0 HB3 PRO A 12 -19.090 -4.895 3.700 1.00 2.57 H new ATOM 0 HG2 PRO A 12 -19.778 -2.421 2.033 1.00 2.49 H new ATOM 0 HG3 PRO A 12 -19.869 -2.608 3.773 1.00 2.49 H new ATOM 0 HD2 PRO A 12 -17.673 -1.479 2.501 1.00 2.07 H new ATOM 0 HD3 PRO A 12 -17.561 -2.271 4.060 1.00 2.07 H new ATOM 186 N GLY A 13 -17.632 -3.332 -0.245 1.00 1.21 N ATOM 187 CA GLY A 13 -17.854 -3.004 -1.655 1.00 1.17 C ATOM 188 C GLY A 13 -16.832 -3.668 -2.590 1.00 1.09 C ATOM 189 O GLY A 13 -16.120 -4.580 -2.182 1.00 1.38 O ATOM 0 H GLY A 13 -17.001 -2.677 0.217 1.00 1.21 H new ATOM 0 HA2 GLY A 13 -18.858 -3.316 -1.942 1.00 1.17 H new ATOM 0 HA3 GLY A 13 -17.808 -1.923 -1.783 1.00 1.17 H new ATOM 193 N PRO A 14 -16.747 -3.234 -3.862 1.00 1.07 N ATOM 194 CA PRO A 14 -15.889 -3.874 -4.859 1.00 1.27 C ATOM 195 C PRO A 14 -14.392 -3.637 -4.622 1.00 0.94 C ATOM 196 O PRO A 14 -13.579 -4.434 -5.087 1.00 1.09 O ATOM 197 CB PRO A 14 -16.339 -3.291 -6.203 1.00 1.66 C ATOM 198 CG PRO A 14 -16.889 -1.913 -5.834 1.00 1.58 C ATOM 199 CD PRO A 14 -17.514 -2.151 -4.461 1.00 1.26 C ATOM 0 HA PRO A 14 -15.996 -4.958 -4.813 1.00 1.27 H new ATOM 0 HB2 PRO A 14 -15.509 -3.216 -6.905 1.00 1.66 H new ATOM 0 HB3 PRO A 14 -17.100 -3.913 -6.675 1.00 1.66 H new ATOM 0 HG2 PRO A 14 -16.101 -1.161 -5.794 1.00 1.58 H new ATOM 0 HG3 PRO A 14 -17.626 -1.565 -6.558 1.00 1.58 H new ATOM 0 HD2 PRO A 14 -17.466 -1.251 -3.848 1.00 1.26 H new ATOM 0 HD3 PRO A 14 -18.567 -2.420 -4.551 1.00 1.26 H new ATOM 207 N ASN A 15 -14.010 -2.557 -3.933 1.00 0.69 N ATOM 208 CA ASN A 15 -12.641 -2.127 -3.748 1.00 0.59 C ATOM 209 C ASN A 15 -12.330 -1.626 -2.323 1.00 0.59 C ATOM 210 O ASN A 15 -13.211 -1.303 -1.526 1.00 0.80 O ATOM 211 CB ASN A 15 -12.358 -1.060 -4.815 1.00 0.77 C ATOM 212 CG ASN A 15 -13.362 0.088 -4.865 1.00 1.21 C ATOM 213 OD1 ASN A 15 -13.911 0.515 -3.864 1.00 2.14 O ATOM 214 ND2 ASN A 15 -13.643 0.619 -6.044 1.00 1.52 N ATOM 0 H ASN A 15 -14.681 -1.941 -3.475 1.00 0.69 H new ATOM 0 HA ASN A 15 -11.977 -2.983 -3.868 1.00 0.59 H new ATOM 0 HB2 ASN A 15 -11.365 -0.646 -4.638 1.00 0.77 H new ATOM 0 HB3 ASN A 15 -12.333 -1.543 -5.792 1.00 0.77 H new ATOM 0 HD21 ASN A 15 -14.316 1.382 -6.112 1.00 1.52 H new ATOM 0 HD22 ASN A 15 -13.186 0.265 -6.885 1.00 1.52 H new ATOM 221 N ALA A 16 -11.029 -1.564 -2.037 1.00 0.49 N ATOM 222 CA ALA A 16 -10.352 -1.281 -0.776 1.00 0.48 C ATOM 223 C ALA A 16 -8.957 -0.676 -1.066 1.00 0.43 C ATOM 224 O ALA A 16 -8.611 -0.398 -2.217 1.00 0.43 O ATOM 225 CB ALA A 16 -10.281 -2.588 0.030 1.00 0.51 C ATOM 0 H ALA A 16 -10.345 -1.732 -2.775 1.00 0.49 H new ATOM 0 HA ALA A 16 -10.896 -0.546 -0.183 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -9.778 -2.403 0.979 1.00 0.51 H new ATOM 0 HB2 ALA A 16 -11.290 -2.954 0.219 1.00 0.51 H new ATOM 0 HB3 ALA A 16 -9.724 -3.335 -0.536 1.00 0.51 H new ATOM 231 N ALA A 17 -8.158 -0.434 -0.027 1.00 0.46 N ATOM 232 CA ALA A 17 -6.810 0.152 -0.069 1.00 0.44 C ATOM 233 C ALA A 17 -5.968 -0.433 1.081 1.00 0.46 C ATOM 234 O ALA A 17 -6.548 -0.882 2.066 1.00 0.61 O ATOM 235 CB ALA A 17 -6.929 1.676 0.070 1.00 0.49 C ATOM 0 H ALA A 17 -8.448 -0.654 0.926 1.00 0.46 H new ATOM 0 HA ALA A 17 -6.321 -0.082 -1.014 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -5.935 2.123 0.040 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -7.529 2.070 -0.750 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -7.408 1.919 1.019 1.00 0.49 H new ATOM 241 N ALA A 18 -4.634 -0.431 0.993 1.00 0.44 N ATOM 242 CA ALA A 18 -3.751 -1.017 2.007 1.00 0.46 C ATOM 243 C ALA A 18 -2.524 -0.140 2.308 1.00 0.42 C ATOM 244 O ALA A 18 -1.823 0.325 1.404 1.00 0.45 O ATOM 245 CB ALA A 18 -3.347 -2.432 1.567 1.00 0.52 C ATOM 0 H ALA A 18 -4.131 -0.018 0.207 1.00 0.44 H new ATOM 0 HA ALA A 18 -4.302 -1.075 2.946 1.00 0.46 H new ATOM 0 HB1 ALA A 18 -2.690 -2.873 2.317 1.00 0.52 H new ATOM 0 HB2 ALA A 18 -4.240 -3.048 1.459 1.00 0.52 H new ATOM 0 HB3 ALA A 18 -2.824 -2.381 0.612 1.00 0.52 H new ATOM 251 N TYR A 19 -2.266 0.028 3.606 1.00 0.51 N ATOM 252 CA TYR A 19 -1.170 0.808 4.190 1.00 0.53 C ATOM 253 C TYR A 19 -0.211 -0.114 4.965 1.00 0.63 C ATOM 254 O TYR A 19 -0.675 -1.024 5.647 1.00 1.19 O ATOM 255 CB TYR A 19 -1.793 1.847 5.138 1.00 0.62 C ATOM 256 CG TYR A 19 -2.911 2.666 4.520 1.00 0.77 C ATOM 257 CD1 TYR A 19 -2.630 3.581 3.491 1.00 2.05 C ATOM 258 CD2 TYR A 19 -4.240 2.491 4.952 1.00 1.83 C ATOM 259 CE1 TYR A 19 -3.673 4.323 2.899 1.00 2.32 C ATOM 260 CE2 TYR A 19 -5.282 3.260 4.400 1.00 1.98 C ATOM 261 CZ TYR A 19 -4.998 4.179 3.363 1.00 1.53 C ATOM 262 OH TYR A 19 -5.986 4.935 2.815 1.00 1.96 O ATOM 0 H TYR A 19 -2.851 -0.402 4.322 1.00 0.51 H new ATOM 0 HA TYR A 19 -0.595 1.302 3.407 1.00 0.53 H new ATOM 0 HB2 TYR A 19 -2.179 1.333 6.018 1.00 0.62 H new ATOM 0 HB3 TYR A 19 -1.010 2.523 5.482 1.00 0.62 H new ATOM 0 HD1 TYR A 19 -1.613 3.716 3.153 1.00 2.05 H new ATOM 0 HD2 TYR A 19 -4.462 1.759 5.715 1.00 1.83 H new ATOM 0 HE1 TYR A 19 -3.457 5.003 2.088 1.00 2.32 H new ATOM 0 HE2 TYR A 19 -6.292 3.149 4.766 1.00 1.98 H new ATOM 0 HH TYR A 19 -6.840 4.717 3.243 1.00 1.96 H new ATOM 272 N LEU A 20 1.111 0.098 4.909 1.00 1.16 N ATOM 273 CA LEU A 20 2.113 -0.808 5.507 1.00 1.21 C ATOM 274 C LEU A 20 3.515 -0.208 5.559 1.00 1.07 C ATOM 275 O LEU A 20 3.860 0.656 4.758 1.00 0.90 O ATOM 276 CB LEU A 20 2.117 -2.186 4.802 1.00 1.27 C ATOM 277 CG LEU A 20 2.567 -2.134 3.324 1.00 1.19 C ATOM 278 CD1 LEU A 20 4.061 -2.458 3.165 1.00 1.77 C ATOM 279 CD2 LEU A 20 1.723 -3.095 2.481 1.00 1.70 C ATOM 0 H LEU A 20 1.523 0.908 4.445 1.00 1.16 H new ATOM 0 HA LEU A 20 1.808 -0.954 6.543 1.00 1.21 H new ATOM 0 HB2 LEU A 20 2.776 -2.860 5.348 1.00 1.27 H new ATOM 0 HB3 LEU A 20 1.114 -2.611 4.851 1.00 1.27 H new ATOM 0 HG LEU A 20 2.415 -1.114 2.970 1.00 1.19 H new ATOM 0 HD11 LEU A 20 4.334 -2.410 2.111 1.00 1.77 H new ATOM 0 HD12 LEU A 20 4.652 -1.734 3.726 1.00 1.77 H new ATOM 0 HD13 LEU A 20 4.258 -3.460 3.545 1.00 1.77 H new ATOM 0 HD21 LEU A 20 2.049 -3.050 1.442 1.00 1.70 H new ATOM 0 HD22 LEU A 20 1.845 -4.111 2.856 1.00 1.70 H new ATOM 0 HD23 LEU A 20 0.673 -2.809 2.545 1.00 1.70 H new ATOM 291 N THR A 21 4.345 -0.703 6.472 1.00 1.26 N ATOM 292 CA THR A 21 5.701 -0.207 6.713 1.00 1.33 C ATOM 293 C THR A 21 6.730 -1.025 5.942 1.00 1.46 C ATOM 294 O THR A 21 7.017 -2.153 6.329 1.00 1.92 O ATOM 295 CB THR A 21 5.985 -0.254 8.211 1.00 1.47 C ATOM 296 OG1 THR A 21 5.032 0.522 8.899 1.00 1.96 O ATOM 297 CG2 THR A 21 7.379 0.315 8.500 1.00 2.01 C ATOM 0 H THR A 21 4.089 -1.480 7.081 1.00 1.26 H new ATOM 0 HA THR A 21 5.775 0.821 6.360 1.00 1.33 H new ATOM 0 HB THR A 21 5.934 -1.291 8.543 1.00 1.47 H new ATOM 0 HG1 THR A 21 4.201 0.011 8.994 1.00 1.96 H new ATOM 0 HG21 THR A 21 7.572 0.277 9.572 1.00 2.01 H new ATOM 0 HG22 THR A 21 8.129 -0.276 7.975 1.00 2.01 H new ATOM 0 HG23 THR A 21 7.428 1.349 8.159 1.00 2.01 H new ATOM 305 N LEU A 22 7.333 -0.462 4.893 1.00 1.46 N ATOM 306 CA LEU A 22 8.425 -1.116 4.175 1.00 1.70 C ATOM 307 C LEU A 22 9.763 -0.790 4.850 1.00 1.44 C ATOM 308 O LEU A 22 10.069 0.380 5.091 1.00 1.44 O ATOM 309 CB LEU A 22 8.400 -0.677 2.697 1.00 2.16 C ATOM 310 CG LEU A 22 8.787 -1.755 1.668 1.00 2.49 C ATOM 311 CD1 LEU A 22 10.126 -2.453 1.960 1.00 2.71 C ATOM 312 CD2 LEU A 22 7.660 -2.788 1.562 1.00 2.68 C ATOM 0 H LEU A 22 7.080 0.453 4.521 1.00 1.46 H new ATOM 0 HA LEU A 22 8.300 -2.198 4.206 1.00 1.70 H new ATOM 0 HB2 LEU A 22 7.397 -0.321 2.461 1.00 2.16 H new ATOM 0 HB3 LEU A 22 9.076 0.170 2.578 1.00 2.16 H new ATOM 0 HG LEU A 22 8.927 -1.240 0.718 1.00 2.49 H new ATOM 0 HD11 LEU A 22 10.324 -3.197 1.189 1.00 2.71 H new ATOM 0 HD12 LEU A 22 10.928 -1.714 1.966 1.00 2.71 H new ATOM 0 HD13 LEU A 22 10.077 -2.943 2.933 1.00 2.71 H new ATOM 0 HD21 LEU A 22 7.933 -3.551 0.834 1.00 2.68 H new ATOM 0 HD22 LEU A 22 7.501 -3.254 2.534 1.00 2.68 H new ATOM 0 HD23 LEU A 22 6.742 -2.294 1.243 1.00 2.68 H new ATOM 324 N GLU A 23 10.566 -1.819 5.120 1.00 1.35 N ATOM 325 CA GLU A 23 11.901 -1.728 5.721 1.00 1.19 C ATOM 326 C GLU A 23 12.892 -2.578 4.907 1.00 1.05 C ATOM 327 O GLU A 23 12.587 -3.706 4.531 1.00 1.26 O ATOM 328 CB GLU A 23 11.882 -2.188 7.197 1.00 1.52 C ATOM 329 CG GLU A 23 10.779 -1.518 8.037 1.00 2.90 C ATOM 330 CD GLU A 23 10.910 -1.753 9.543 1.00 3.26 C ATOM 331 OE1 GLU A 23 11.376 -2.826 9.974 1.00 3.19 O ATOM 332 OE2 GLU A 23 10.462 -0.893 10.340 1.00 4.34 O ATOM 0 H GLU A 23 10.294 -2.781 4.918 1.00 1.35 H new ATOM 0 HA GLU A 23 12.219 -0.686 5.703 1.00 1.19 H new ATOM 0 HB2 GLU A 23 11.746 -3.269 7.230 1.00 1.52 H new ATOM 0 HB3 GLU A 23 12.851 -1.974 7.648 1.00 1.52 H new ATOM 0 HG2 GLU A 23 10.793 -0.445 7.845 1.00 2.90 H new ATOM 0 HG3 GLU A 23 9.809 -1.889 7.705 1.00 2.90 H new ATOM 339 N ASN A 24 14.077 -2.037 4.625 1.00 0.88 N ATOM 340 CA ASN A 24 15.130 -2.679 3.837 1.00 0.80 C ATOM 341 C ASN A 24 16.274 -3.153 4.757 1.00 0.80 C ATOM 342 O ASN A 24 17.007 -2.322 5.295 1.00 0.88 O ATOM 343 CB ASN A 24 15.639 -1.656 2.813 1.00 0.79 C ATOM 344 CG ASN A 24 16.612 -2.263 1.814 1.00 0.80 C ATOM 345 OD1 ASN A 24 17.021 -3.411 1.923 1.00 1.38 O ATOM 346 ND2 ASN A 24 16.990 -1.521 0.798 1.00 0.78 N ATOM 0 H ASN A 24 14.340 -1.107 4.950 1.00 0.88 H new ATOM 0 HA ASN A 24 14.741 -3.557 3.323 1.00 0.80 H new ATOM 0 HB2 ASN A 24 14.790 -1.232 2.276 1.00 0.79 H new ATOM 0 HB3 ASN A 24 16.128 -0.835 3.337 1.00 0.79 H new ATOM 0 HD21 ASN A 24 17.626 -1.902 0.097 1.00 0.78 H new ATOM 0 HD22 ASN A 24 16.647 -0.564 0.710 1.00 0.78 H new ATOM 353 N PRO A 25 16.457 -4.471 4.946 1.00 0.84 N ATOM 354 CA PRO A 25 17.556 -5.014 5.743 1.00 0.90 C ATOM 355 C PRO A 25 18.885 -5.124 4.979 1.00 0.92 C ATOM 356 O PRO A 25 19.919 -5.373 5.600 1.00 1.01 O ATOM 357 CB PRO A 25 17.058 -6.401 6.165 1.00 1.00 C ATOM 358 CG PRO A 25 16.196 -6.828 4.974 1.00 1.02 C ATOM 359 CD PRO A 25 15.533 -5.525 4.553 1.00 0.93 C ATOM 0 HA PRO A 25 17.787 -4.354 6.579 1.00 0.90 H new ATOM 0 HB2 PRO A 25 17.883 -7.092 6.336 1.00 1.00 H new ATOM 0 HB3 PRO A 25 16.480 -6.360 7.088 1.00 1.00 H new ATOM 0 HG2 PRO A 25 16.798 -7.253 4.171 1.00 1.02 H new ATOM 0 HG3 PRO A 25 15.462 -7.583 5.256 1.00 1.02 H new ATOM 0 HD2 PRO A 25 15.352 -5.507 3.478 1.00 0.93 H new ATOM 0 HD3 PRO A 25 14.566 -5.401 5.041 1.00 0.93 H new ATOM 367 N GLY A 26 18.881 -4.957 3.651 1.00 0.87 N ATOM 368 CA GLY A 26 20.046 -5.136 2.801 1.00 0.93 C ATOM 369 C GLY A 26 20.925 -3.898 2.731 1.00 0.91 C ATOM 370 O GLY A 26 20.628 -2.836 3.272 1.00 1.20 O ATOM 0 H GLY A 26 18.044 -4.687 3.134 1.00 0.87 H new ATOM 0 HA2 GLY A 26 20.636 -5.973 3.174 1.00 0.93 H new ATOM 0 HA3 GLY A 26 19.718 -5.400 1.795 1.00 0.93 H new ATOM 374 N ASP A 27 22.042 -4.087 2.047 1.00 0.93 N ATOM 375 CA ASP A 27 23.134 -3.148 1.816 1.00 1.23 C ATOM 376 C ASP A 27 23.019 -2.486 0.431 1.00 1.17 C ATOM 377 O ASP A 27 23.757 -1.568 0.083 1.00 1.37 O ATOM 378 CB ASP A 27 24.402 -3.997 1.947 1.00 1.61 C ATOM 379 CG ASP A 27 24.542 -4.546 3.371 1.00 2.01 C ATOM 380 OD1 ASP A 27 25.080 -3.832 4.240 1.00 2.87 O ATOM 381 OD2 ASP A 27 23.941 -5.606 3.663 1.00 2.57 O ATOM 0 H ASP A 27 22.226 -4.984 1.597 1.00 0.93 H new ATOM 0 HA ASP A 27 23.129 -2.319 2.524 1.00 1.23 H new ATOM 0 HB2 ASP A 27 24.368 -4.822 1.236 1.00 1.61 H new ATOM 0 HB3 ASP A 27 25.276 -3.396 1.696 1.00 1.61 H new ATOM 386 N LEU A 28 22.023 -2.943 -0.333 1.00 0.93 N ATOM 387 CA LEU A 28 21.575 -2.442 -1.626 1.00 0.85 C ATOM 388 C LEU A 28 20.105 -1.984 -1.531 1.00 0.73 C ATOM 389 O LEU A 28 19.386 -2.443 -0.638 1.00 0.71 O ATOM 390 CB LEU A 28 21.856 -3.536 -2.672 1.00 0.95 C ATOM 391 CG LEU A 28 21.102 -4.878 -2.518 1.00 1.40 C ATOM 392 CD1 LEU A 28 19.673 -4.853 -3.090 1.00 1.90 C ATOM 393 CD2 LEU A 28 21.882 -5.981 -3.251 1.00 1.80 C ATOM 0 H LEU A 28 21.464 -3.742 -0.033 1.00 0.93 H new ATOM 0 HA LEU A 28 22.119 -1.552 -1.943 1.00 0.85 H new ATOM 0 HB2 LEU A 28 21.622 -3.129 -3.656 1.00 0.95 H new ATOM 0 HB3 LEU A 28 22.925 -3.747 -2.660 1.00 0.95 H new ATOM 0 HG LEU A 28 21.027 -5.066 -1.447 1.00 1.40 H new ATOM 0 HD11 LEU A 28 19.206 -5.828 -2.946 1.00 1.90 H new ATOM 0 HD12 LEU A 28 19.088 -4.091 -2.575 1.00 1.90 H new ATOM 0 HD13 LEU A 28 19.711 -4.623 -4.155 1.00 1.90 H new ATOM 0 HD21 LEU A 28 21.356 -6.930 -3.146 1.00 1.80 H new ATOM 0 HD22 LEU A 28 21.965 -5.727 -4.308 1.00 1.80 H new ATOM 0 HD23 LEU A 28 22.879 -6.070 -2.820 1.00 1.80 H new ATOM 405 N PRO A 29 19.636 -1.084 -2.418 1.00 0.73 N ATOM 406 CA PRO A 29 18.299 -0.512 -2.332 1.00 0.70 C ATOM 407 C PRO A 29 17.242 -1.517 -2.799 1.00 0.68 C ATOM 408 O PRO A 29 17.458 -2.276 -3.748 1.00 0.73 O ATOM 409 CB PRO A 29 18.333 0.749 -3.198 1.00 0.78 C ATOM 410 CG PRO A 29 19.383 0.423 -4.258 1.00 0.83 C ATOM 411 CD PRO A 29 20.359 -0.521 -3.548 1.00 0.82 C ATOM 0 HA PRO A 29 18.024 -0.264 -1.307 1.00 0.70 H new ATOM 0 HB2 PRO A 29 17.361 0.955 -3.646 1.00 0.78 H new ATOM 0 HB3 PRO A 29 18.609 1.629 -2.616 1.00 0.78 H new ATOM 0 HG2 PRO A 29 18.934 -0.052 -5.130 1.00 0.83 H new ATOM 0 HG3 PRO A 29 19.886 1.324 -4.610 1.00 0.83 H new ATOM 0 HD2 PRO A 29 20.699 -1.307 -4.222 1.00 0.82 H new ATOM 0 HD3 PRO A 29 21.246 0.017 -3.213 1.00 0.82 H new ATOM 419 N LEU A 30 16.081 -1.492 -2.138 1.00 0.67 N ATOM 420 CA LEU A 30 14.891 -2.222 -2.571 1.00 0.69 C ATOM 421 C LEU A 30 13.911 -1.275 -3.220 1.00 0.74 C ATOM 422 O LEU A 30 13.797 -0.101 -2.880 1.00 0.79 O ATOM 423 CB LEU A 30 14.181 -2.980 -1.435 1.00 0.76 C ATOM 424 CG LEU A 30 15.059 -4.094 -0.870 1.00 0.82 C ATOM 425 CD1 LEU A 30 14.482 -4.606 0.453 1.00 1.79 C ATOM 426 CD2 LEU A 30 15.289 -5.273 -1.816 1.00 1.47 C ATOM 0 H LEU A 30 15.942 -0.959 -1.280 1.00 0.67 H new ATOM 0 HA LEU A 30 15.240 -2.970 -3.283 1.00 0.69 H new ATOM 0 HB2 LEU A 30 13.919 -2.283 -0.639 1.00 0.76 H new ATOM 0 HB3 LEU A 30 13.248 -3.404 -1.807 1.00 0.76 H new ATOM 0 HG LEU A 30 16.036 -3.636 -0.718 1.00 0.82 H new ATOM 0 HD11 LEU A 30 15.118 -5.400 0.844 1.00 1.79 H new ATOM 0 HD12 LEU A 30 14.439 -3.788 1.172 1.00 1.79 H new ATOM 0 HD13 LEU A 30 13.478 -4.995 0.286 1.00 1.79 H new ATOM 0 HD21 LEU A 30 15.923 -6.013 -1.328 1.00 1.47 H new ATOM 0 HD22 LEU A 30 14.331 -5.727 -2.071 1.00 1.47 H new ATOM 0 HD23 LEU A 30 15.776 -4.920 -2.725 1.00 1.47 H new ATOM 438 N ARG A 31 13.163 -1.867 -4.134 1.00 0.74 N ATOM 439 CA ARG A 31 12.249 -1.129 -5.010 1.00 0.70 C ATOM 440 C ARG A 31 10.962 -1.876 -5.278 1.00 0.60 C ATOM 441 O ARG A 31 10.964 -2.889 -5.970 1.00 0.58 O ATOM 442 CB ARG A 31 12.965 -0.754 -6.314 1.00 0.67 C ATOM 443 CG ARG A 31 12.160 0.263 -7.141 1.00 0.72 C ATOM 444 CD ARG A 31 12.939 0.805 -8.348 1.00 0.69 C ATOM 445 NE ARG A 31 14.052 1.659 -7.911 1.00 1.30 N ATOM 446 CZ ARG A 31 14.939 2.307 -8.649 1.00 1.20 C ATOM 447 NH1 ARG A 31 14.897 2.295 -9.967 1.00 1.70 N ATOM 448 NH2 ARG A 31 15.899 2.968 -8.047 1.00 2.16 N ATOM 0 H ARG A 31 13.167 -2.874 -4.296 1.00 0.74 H new ATOM 0 HA ARG A 31 11.959 -0.216 -4.490 1.00 0.70 H new ATOM 0 HB2 ARG A 31 13.946 -0.338 -6.083 1.00 0.67 H new ATOM 0 HB3 ARG A 31 13.132 -1.653 -6.907 1.00 0.67 H new ATOM 0 HG2 ARG A 31 11.241 -0.207 -7.490 1.00 0.72 H new ATOM 0 HG3 ARG A 31 11.869 1.095 -6.500 1.00 0.72 H new ATOM 0 HD2 ARG A 31 13.323 -0.025 -8.941 1.00 0.69 H new ATOM 0 HD3 ARG A 31 12.269 1.374 -8.993 1.00 0.69 H new ATOM 0 HE ARG A 31 14.155 1.767 -6.902 1.00 1.30 H new ATOM 0 HH11 ARG A 31 14.164 1.775 -10.449 1.00 1.70 H new ATOM 0 HH12 ARG A 31 15.597 2.806 -10.504 1.00 1.70 H new ATOM 0 HH21 ARG A 31 15.952 2.976 -7.028 1.00 2.16 H new ATOM 0 HH22 ARG A 31 16.593 3.474 -8.598 1.00 2.16 H new ATOM 462 N LEU A 32 9.874 -1.373 -4.717 1.00 0.55 N ATOM 463 CA LEU A 32 8.545 -1.954 -4.746 1.00 0.51 C ATOM 464 C LEU A 32 7.798 -1.484 -5.992 1.00 0.46 C ATOM 465 O LEU A 32 7.386 -0.332 -6.056 1.00 0.49 O ATOM 466 CB LEU A 32 7.886 -1.506 -3.436 1.00 0.52 C ATOM 467 CG LEU A 32 6.422 -1.916 -3.228 1.00 0.60 C ATOM 468 CD1 LEU A 32 6.214 -3.395 -3.565 1.00 1.59 C ATOM 469 CD2 LEU A 32 6.077 -1.622 -1.763 1.00 1.83 C ATOM 0 H LEU A 32 9.899 -0.495 -4.198 1.00 0.55 H new ATOM 0 HA LEU A 32 8.548 -3.042 -4.809 1.00 0.51 H new ATOM 0 HB2 LEU A 32 8.472 -1.903 -2.607 1.00 0.52 H new ATOM 0 HB3 LEU A 32 7.947 -0.419 -3.378 1.00 0.52 H new ATOM 0 HG LEU A 32 5.765 -1.354 -3.892 1.00 0.60 H new ATOM 0 HD11 LEU A 32 5.168 -3.660 -3.409 1.00 1.59 H new ATOM 0 HD12 LEU A 32 6.482 -3.572 -4.607 1.00 1.59 H new ATOM 0 HD13 LEU A 32 6.844 -4.007 -2.919 1.00 1.59 H new ATOM 0 HD21 LEU A 32 5.041 -1.900 -1.570 1.00 1.83 H new ATOM 0 HD22 LEU A 32 6.734 -2.198 -1.112 1.00 1.83 H new ATOM 0 HD23 LEU A 32 6.211 -0.559 -1.564 1.00 1.83 H new ATOM 481 N VAL A 33 7.623 -2.372 -6.970 1.00 0.42 N ATOM 482 CA VAL A 33 7.060 -2.044 -8.300 1.00 0.40 C ATOM 483 C VAL A 33 5.639 -2.608 -8.493 1.00 0.43 C ATOM 484 O VAL A 33 4.917 -2.196 -9.398 1.00 0.49 O ATOM 485 CB VAL A 33 7.973 -2.568 -9.442 1.00 0.46 C ATOM 486 CG1 VAL A 33 9.415 -2.033 -9.338 1.00 0.51 C ATOM 487 CG2 VAL A 33 8.065 -4.106 -9.509 1.00 0.50 C ATOM 0 H VAL A 33 7.869 -3.357 -6.869 1.00 0.42 H new ATOM 0 HA VAL A 33 7.006 -0.956 -8.344 1.00 0.40 H new ATOM 0 HB VAL A 33 7.489 -2.196 -10.345 1.00 0.46 H new ATOM 0 HG11 VAL A 33 10.011 -2.430 -10.160 1.00 0.51 H new ATOM 0 HG12 VAL A 33 9.404 -0.944 -9.391 1.00 0.51 H new ATOM 0 HG13 VAL A 33 9.852 -2.346 -8.390 1.00 0.51 H new ATOM 0 HG21 VAL A 33 8.720 -4.396 -10.331 1.00 0.50 H new ATOM 0 HG22 VAL A 33 8.469 -4.488 -8.571 1.00 0.50 H new ATOM 0 HG23 VAL A 33 7.071 -4.523 -9.672 1.00 0.50 H new ATOM 497 N GLY A 34 5.252 -3.588 -7.665 1.00 0.46 N ATOM 498 CA GLY A 34 3.981 -4.308 -7.744 1.00 0.58 C ATOM 499 C GLY A 34 3.571 -4.945 -6.421 1.00 0.61 C ATOM 500 O GLY A 34 4.288 -4.860 -5.429 1.00 0.58 O ATOM 0 H GLY A 34 5.839 -3.910 -6.895 1.00 0.46 H new ATOM 0 HA2 GLY A 34 3.200 -3.620 -8.066 1.00 0.58 H new ATOM 0 HA3 GLY A 34 4.057 -5.084 -8.506 1.00 0.58 H new ATOM 504 N ALA A 35 2.444 -5.644 -6.421 1.00 0.69 N ATOM 505 CA ALA A 35 1.967 -6.401 -5.270 1.00 0.64 C ATOM 506 C ALA A 35 1.021 -7.537 -5.686 1.00 0.61 C ATOM 507 O ALA A 35 0.739 -7.744 -6.867 1.00 0.64 O ATOM 508 CB ALA A 35 1.355 -5.422 -4.248 1.00 0.64 C ATOM 0 H ALA A 35 1.827 -5.702 -7.231 1.00 0.69 H new ATOM 0 HA ALA A 35 2.803 -6.906 -4.786 1.00 0.64 H new ATOM 0 HB1 ALA A 35 0.995 -5.978 -3.382 1.00 0.64 H new ATOM 0 HB2 ALA A 35 2.114 -4.707 -3.930 1.00 0.64 H new ATOM 0 HB3 ALA A 35 0.523 -4.888 -4.708 1.00 0.64 H new ATOM 514 N ARG A 36 0.553 -8.269 -4.682 1.00 0.56 N ATOM 515 CA ARG A 36 -0.397 -9.374 -4.749 1.00 0.50 C ATOM 516 C ARG A 36 -1.068 -9.501 -3.373 1.00 0.51 C ATOM 517 O ARG A 36 -0.593 -8.930 -2.389 1.00 0.63 O ATOM 518 CB ARG A 36 0.339 -10.673 -5.149 1.00 0.55 C ATOM 519 CG ARG A 36 0.070 -11.125 -6.576 1.00 1.09 C ATOM 520 CD ARG A 36 0.832 -12.425 -6.872 1.00 1.57 C ATOM 521 NE ARG A 36 0.121 -13.240 -7.875 1.00 2.28 N ATOM 522 CZ ARG A 36 -0.686 -14.269 -7.626 1.00 2.94 C ATOM 523 NH1 ARG A 36 -0.876 -14.725 -6.401 1.00 3.40 N ATOM 524 NH2 ARG A 36 -1.325 -14.856 -8.620 1.00 3.96 N ATOM 0 H ARG A 36 0.852 -8.091 -3.723 1.00 0.56 H new ATOM 0 HA ARG A 36 -1.161 -9.191 -5.505 1.00 0.50 H new ATOM 0 HB2 ARG A 36 1.411 -10.524 -5.023 1.00 0.55 H new ATOM 0 HB3 ARG A 36 0.045 -11.470 -4.465 1.00 0.55 H new ATOM 0 HG2 ARG A 36 -0.999 -11.280 -6.721 1.00 1.09 H new ATOM 0 HG3 ARG A 36 0.377 -10.347 -7.276 1.00 1.09 H new ATOM 0 HD2 ARG A 36 1.833 -12.189 -7.234 1.00 1.57 H new ATOM 0 HD3 ARG A 36 0.952 -12.998 -5.952 1.00 1.57 H new ATOM 0 HE ARG A 36 0.261 -12.991 -8.854 1.00 2.28 H new ATOM 0 HH11 ARG A 36 -0.398 -14.287 -5.614 1.00 3.40 H new ATOM 0 HH12 ARG A 36 -1.501 -15.515 -6.242 1.00 3.40 H new ATOM 0 HH21 ARG A 36 -1.200 -14.521 -9.575 1.00 3.96 H new ATOM 0 HH22 ARG A 36 -1.944 -15.645 -8.433 1.00 3.96 H new ATOM 538 N THR A 37 -2.168 -10.256 -3.295 1.00 0.48 N ATOM 539 CA THR A 37 -2.997 -10.446 -2.096 1.00 0.55 C ATOM 540 C THR A 37 -4.087 -11.474 -2.418 1.00 0.58 C ATOM 541 O THR A 37 -4.482 -11.558 -3.583 1.00 0.55 O ATOM 542 CB THR A 37 -3.568 -9.101 -1.610 1.00 0.65 C ATOM 543 OG1 THR A 37 -4.476 -9.297 -0.566 1.00 0.76 O ATOM 544 CG2 THR A 37 -4.310 -8.305 -2.685 1.00 0.68 C ATOM 0 H THR A 37 -2.522 -10.775 -4.099 1.00 0.48 H new ATOM 0 HA THR A 37 -2.396 -10.831 -1.272 1.00 0.55 H new ATOM 0 HB THR A 37 -2.690 -8.534 -1.298 1.00 0.65 H new ATOM 0 HG1 THR A 37 -3.989 -9.370 0.281 1.00 0.76 H new ATOM 0 HG21 THR A 37 -4.679 -7.373 -2.258 1.00 0.68 H new ATOM 0 HG22 THR A 37 -3.630 -8.083 -3.508 1.00 0.68 H new ATOM 0 HG23 THR A 37 -5.150 -8.891 -3.057 1.00 0.68 H new ATOM 552 N PRO A 38 -4.590 -12.248 -1.439 1.00 0.69 N ATOM 553 CA PRO A 38 -5.682 -13.190 -1.655 1.00 0.72 C ATOM 554 C PRO A 38 -7.055 -12.518 -1.676 1.00 0.73 C ATOM 555 O PRO A 38 -8.036 -13.184 -1.985 1.00 0.82 O ATOM 556 CB PRO A 38 -5.559 -14.184 -0.504 1.00 0.77 C ATOM 557 CG PRO A 38 -4.977 -13.364 0.642 1.00 0.83 C ATOM 558 CD PRO A 38 -4.081 -12.365 -0.081 1.00 0.80 C ATOM 0 HA PRO A 38 -5.607 -13.667 -2.632 1.00 0.72 H new ATOM 0 HB2 PRO A 38 -6.528 -14.607 -0.238 1.00 0.77 H new ATOM 0 HB3 PRO A 38 -4.908 -15.018 -0.767 1.00 0.77 H new ATOM 0 HG2 PRO A 38 -5.756 -12.865 1.219 1.00 0.83 H new ATOM 0 HG3 PRO A 38 -4.412 -13.985 1.338 1.00 0.83 H new ATOM 0 HD2 PRO A 38 -4.096 -11.398 0.422 1.00 0.80 H new ATOM 0 HD3 PRO A 38 -3.046 -12.706 -0.084 1.00 0.80 H new ATOM 566 N VAL A 39 -7.134 -11.224 -1.344 1.00 0.69 N ATOM 567 CA VAL A 39 -8.387 -10.440 -1.314 1.00 0.72 C ATOM 568 C VAL A 39 -8.434 -9.322 -2.368 1.00 0.67 C ATOM 569 O VAL A 39 -8.929 -8.230 -2.095 1.00 0.74 O ATOM 570 CB VAL A 39 -8.738 -9.933 0.104 1.00 0.82 C ATOM 571 CG1 VAL A 39 -8.977 -11.114 1.058 1.00 0.95 C ATOM 572 CG2 VAL A 39 -7.642 -9.030 0.674 1.00 0.84 C ATOM 0 H VAL A 39 -6.315 -10.676 -1.082 1.00 0.69 H new ATOM 0 HA VAL A 39 -9.174 -11.140 -1.596 1.00 0.72 H new ATOM 0 HB VAL A 39 -9.652 -9.346 0.016 1.00 0.82 H new ATOM 0 HG11 VAL A 39 -9.223 -10.736 2.050 1.00 0.95 H new ATOM 0 HG12 VAL A 39 -9.803 -11.721 0.686 1.00 0.95 H new ATOM 0 HG13 VAL A 39 -8.075 -11.724 1.115 1.00 0.95 H new ATOM 0 HG21 VAL A 39 -7.928 -8.696 1.671 1.00 0.84 H new ATOM 0 HG22 VAL A 39 -6.706 -9.586 0.732 1.00 0.84 H new ATOM 0 HG23 VAL A 39 -7.510 -8.164 0.025 1.00 0.84 H new ATOM 582 N ALA A 40 -7.978 -9.597 -3.598 1.00 0.64 N ATOM 583 CA ALA A 40 -8.216 -8.726 -4.761 1.00 0.67 C ATOM 584 C ALA A 40 -8.055 -9.474 -6.104 1.00 0.83 C ATOM 585 O ALA A 40 -7.465 -10.550 -6.154 1.00 1.12 O ATOM 586 CB ALA A 40 -7.263 -7.521 -4.683 1.00 0.69 C ATOM 0 H ALA A 40 -7.433 -10.431 -3.816 1.00 0.64 H new ATOM 0 HA ALA A 40 -9.251 -8.385 -4.728 1.00 0.67 H new ATOM 0 HB1 ALA A 40 -7.430 -6.869 -5.540 1.00 0.69 H new ATOM 0 HB2 ALA A 40 -7.451 -6.967 -3.763 1.00 0.69 H new ATOM 0 HB3 ALA A 40 -6.231 -7.872 -4.691 1.00 0.69 H new ATOM 592 N GLU A 41 -8.558 -8.874 -7.184 1.00 0.81 N ATOM 593 CA GLU A 41 -8.356 -9.257 -8.594 1.00 0.98 C ATOM 594 C GLU A 41 -7.295 -8.352 -9.258 1.00 0.88 C ATOM 595 O GLU A 41 -6.354 -8.820 -9.897 1.00 0.99 O ATOM 596 CB GLU A 41 -9.702 -9.103 -9.335 1.00 1.20 C ATOM 597 CG GLU A 41 -9.853 -10.011 -10.562 1.00 1.46 C ATOM 598 CD GLU A 41 -10.456 -11.347 -10.138 1.00 1.93 C ATOM 599 OE1 GLU A 41 -9.692 -12.275 -9.792 1.00 2.27 O ATOM 600 OE2 GLU A 41 -11.691 -11.413 -9.947 1.00 3.21 O ATOM 0 H GLU A 41 -9.157 -8.053 -7.098 1.00 0.81 H new ATOM 0 HA GLU A 41 -8.005 -10.288 -8.644 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -10.513 -9.315 -8.639 1.00 1.20 H new ATOM 0 HB3 GLU A 41 -9.814 -8.065 -9.649 1.00 1.20 H new ATOM 0 HG2 GLU A 41 -10.490 -9.532 -11.305 1.00 1.46 H new ATOM 0 HG3 GLU A 41 -8.882 -10.171 -11.031 1.00 1.46 H new ATOM 607 N ARG A 42 -7.410 -7.032 -9.047 1.00 0.83 N ATOM 608 CA ARG A 42 -6.354 -6.047 -9.273 1.00 0.70 C ATOM 609 C ARG A 42 -5.766 -5.657 -7.924 1.00 0.58 C ATOM 610 O ARG A 42 -6.499 -5.327 -6.993 1.00 0.72 O ATOM 611 CB ARG A 42 -6.890 -4.749 -9.902 1.00 1.06 C ATOM 612 CG ARG A 42 -7.031 -4.756 -11.426 1.00 1.49 C ATOM 613 CD ARG A 42 -7.292 -3.315 -11.897 1.00 2.34 C ATOM 614 NE ARG A 42 -7.350 -3.219 -13.367 1.00 3.04 N ATOM 615 CZ ARG A 42 -7.196 -2.102 -14.073 1.00 4.12 C ATOM 616 NH1 ARG A 42 -7.034 -0.923 -13.511 1.00 4.73 N ATOM 617 NH2 ARG A 42 -7.202 -2.155 -15.387 1.00 5.06 N ATOM 0 H ARG A 42 -8.273 -6.612 -8.702 1.00 0.83 H new ATOM 0 HA ARG A 42 -5.626 -6.500 -9.945 1.00 0.70 H new ATOM 0 HB2 ARG A 42 -7.866 -4.533 -9.467 1.00 1.06 H new ATOM 0 HB3 ARG A 42 -6.227 -3.931 -9.621 1.00 1.06 H new ATOM 0 HG2 ARG A 42 -6.125 -5.148 -11.889 1.00 1.49 H new ATOM 0 HG3 ARG A 42 -7.851 -5.408 -11.728 1.00 1.49 H new ATOM 0 HD2 ARG A 42 -8.231 -2.959 -11.473 1.00 2.34 H new ATOM 0 HD3 ARG A 42 -6.504 -2.662 -11.521 1.00 2.34 H new ATOM 0 HE ARG A 42 -7.522 -4.080 -13.886 1.00 3.04 H new ATOM 0 HH11 ARG A 42 -7.023 -0.840 -12.494 1.00 4.73 H new ATOM 0 HH12 ARG A 42 -6.919 -0.092 -14.092 1.00 4.73 H new ATOM 0 HH21 ARG A 42 -7.324 -3.050 -15.861 1.00 5.06 H new ATOM 0 HH22 ARG A 42 -7.084 -1.301 -15.932 1.00 5.06 H new ATOM 631 N VAL A 43 -4.448 -5.541 -7.890 1.00 0.65 N ATOM 632 CA VAL A 43 -3.793 -4.493 -7.098 1.00 0.54 C ATOM 633 C VAL A 43 -3.410 -3.345 -8.041 1.00 0.82 C ATOM 634 O VAL A 43 -3.158 -3.580 -9.224 1.00 1.34 O ATOM 635 CB VAL A 43 -2.574 -5.030 -6.315 1.00 0.58 C ATOM 636 CG1 VAL A 43 -1.289 -5.112 -7.160 1.00 0.96 C ATOM 637 CG2 VAL A 43 -2.327 -4.192 -5.053 1.00 0.60 C ATOM 0 H VAL A 43 -3.807 -6.152 -8.396 1.00 0.65 H new ATOM 0 HA VAL A 43 -4.486 -4.127 -6.341 1.00 0.54 H new ATOM 0 HB VAL A 43 -2.825 -6.052 -6.031 1.00 0.58 H new ATOM 0 HG11 VAL A 43 -0.474 -5.497 -6.547 1.00 0.96 H new ATOM 0 HG12 VAL A 43 -1.452 -5.779 -8.007 1.00 0.96 H new ATOM 0 HG13 VAL A 43 -1.030 -4.118 -7.525 1.00 0.96 H new ATOM 0 HG21 VAL A 43 -1.464 -4.587 -4.517 1.00 0.60 H new ATOM 0 HG22 VAL A 43 -2.135 -3.157 -5.335 1.00 0.60 H new ATOM 0 HG23 VAL A 43 -3.206 -4.236 -4.409 1.00 0.60 H new ATOM 647 N GLU A 44 -3.336 -2.129 -7.509 1.00 0.57 N ATOM 648 CA GLU A 44 -2.730 -0.952 -8.133 1.00 0.55 C ATOM 649 C GLU A 44 -1.876 -0.241 -7.087 1.00 0.48 C ATOM 650 O GLU A 44 -2.216 -0.247 -5.904 1.00 0.65 O ATOM 651 CB GLU A 44 -3.805 0.026 -8.627 1.00 0.68 C ATOM 652 CG GLU A 44 -4.579 -0.514 -9.832 1.00 1.27 C ATOM 653 CD GLU A 44 -5.776 0.358 -10.208 1.00 2.06 C ATOM 654 OE1 GLU A 44 -5.823 1.535 -9.782 1.00 2.93 O ATOM 655 OE2 GLU A 44 -6.642 -0.175 -10.939 1.00 2.90 O ATOM 0 H GLU A 44 -3.715 -1.925 -6.584 1.00 0.57 H new ATOM 0 HA GLU A 44 -2.132 -1.274 -8.985 1.00 0.55 H new ATOM 0 HB2 GLU A 44 -4.502 0.235 -7.815 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -3.335 0.972 -8.895 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -3.906 -0.587 -10.687 1.00 1.27 H new ATOM 0 HG3 GLU A 44 -4.926 -1.524 -9.612 1.00 1.27 H new ATOM 662 N LEU A 45 -0.780 0.392 -7.510 1.00 0.55 N ATOM 663 CA LEU A 45 0.113 1.145 -6.625 1.00 0.60 C ATOM 664 C LEU A 45 -0.124 2.652 -6.773 1.00 0.50 C ATOM 665 O LEU A 45 0.060 3.213 -7.856 1.00 0.49 O ATOM 666 CB LEU A 45 1.562 0.744 -6.940 1.00 0.95 C ATOM 667 CG LEU A 45 2.623 1.541 -6.161 1.00 0.52 C ATOM 668 CD1 LEU A 45 2.522 1.424 -4.635 1.00 0.86 C ATOM 669 CD2 LEU A 45 4.003 1.041 -6.590 1.00 1.05 C ATOM 0 H LEU A 45 -0.484 0.397 -8.486 1.00 0.55 H new ATOM 0 HA LEU A 45 -0.094 0.905 -5.582 1.00 0.60 H new ATOM 0 HB2 LEU A 45 1.689 -0.316 -6.722 1.00 0.95 H new ATOM 0 HB3 LEU A 45 1.739 0.874 -8.008 1.00 0.95 H new ATOM 0 HG LEU A 45 2.455 2.592 -6.398 1.00 0.52 H new ATOM 0 HD11 LEU A 45 3.309 2.018 -4.172 1.00 0.86 H new ATOM 0 HD12 LEU A 45 1.550 1.790 -4.306 1.00 0.86 H new ATOM 0 HD13 LEU A 45 2.635 0.380 -4.342 1.00 0.86 H new ATOM 0 HD21 LEU A 45 4.773 1.592 -6.051 1.00 1.05 H new ATOM 0 HD22 LEU A 45 4.091 -0.022 -6.364 1.00 1.05 H new ATOM 0 HD23 LEU A 45 4.129 1.196 -7.662 1.00 1.05 H new ATOM 681 N HIS A 46 -0.528 3.307 -5.684 1.00 0.51 N ATOM 682 CA HIS A 46 -0.943 4.710 -5.653 1.00 0.49 C ATOM 683 C HIS A 46 -0.117 5.586 -4.684 1.00 0.48 C ATOM 684 O HIS A 46 0.430 5.143 -3.672 1.00 0.53 O ATOM 685 CB HIS A 46 -2.432 4.795 -5.249 1.00 0.51 C ATOM 686 CG HIS A 46 -3.498 4.270 -6.182 1.00 0.49 C ATOM 687 ND1 HIS A 46 -4.852 4.254 -5.871 1.00 0.47 N ATOM 688 CD2 HIS A 46 -3.359 3.723 -7.429 1.00 0.51 C ATOM 689 CE1 HIS A 46 -5.496 3.720 -6.911 1.00 0.48 C ATOM 690 NE2 HIS A 46 -4.625 3.373 -7.871 1.00 0.52 N ATOM 0 H HIS A 46 -0.577 2.860 -4.768 1.00 0.51 H new ATOM 0 HA HIS A 46 -0.774 5.100 -6.657 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -2.542 4.267 -4.302 1.00 0.51 H new ATOM 0 HB3 HIS A 46 -2.657 5.844 -5.057 1.00 0.51 H new ATOM 0 HD1 HIS A 46 -5.276 4.589 -5.006 1.00 0.47 H new ATOM 0 HD2 HIS A 46 -2.433 3.589 -7.969 1.00 0.51 H new ATOM 0 HE1 HIS A 46 -6.566 3.586 -6.971 1.00 0.48 H new ATOM 0 HE2 HIS A 46 -4.853 2.933 -8.762 1.00 0.52 H new ATOM 698 N GLU A 47 -0.130 6.882 -4.986 1.00 0.45 N ATOM 699 CA GLU A 47 0.188 7.992 -4.083 1.00 0.46 C ATOM 700 C GLU A 47 -1.089 8.633 -3.500 1.00 0.53 C ATOM 701 O GLU A 47 -2.210 8.291 -3.886 1.00 0.77 O ATOM 702 CB GLU A 47 1.043 9.019 -4.841 1.00 0.53 C ATOM 703 CG GLU A 47 0.267 9.780 -5.921 1.00 0.79 C ATOM 704 CD GLU A 47 1.086 10.839 -6.651 1.00 1.15 C ATOM 705 OE1 GLU A 47 2.294 10.650 -6.900 1.00 2.39 O ATOM 706 OE2 GLU A 47 0.465 11.823 -7.110 1.00 1.93 O ATOM 0 H GLU A 47 -0.377 7.207 -5.921 1.00 0.45 H new ATOM 0 HA GLU A 47 0.755 7.613 -3.233 1.00 0.46 H new ATOM 0 HB2 GLU A 47 1.455 9.734 -4.129 1.00 0.53 H new ATOM 0 HB3 GLU A 47 1.887 8.507 -5.303 1.00 0.53 H new ATOM 0 HG2 GLU A 47 -0.114 9.065 -6.650 1.00 0.79 H new ATOM 0 HG3 GLU A 47 -0.598 10.259 -5.462 1.00 0.79 H new ATOM 713 N THR A 48 -0.930 9.630 -2.625 1.00 0.49 N ATOM 714 CA THR A 48 -1.978 10.554 -2.155 1.00 0.46 C ATOM 715 C THR A 48 -1.283 11.853 -1.761 1.00 0.49 C ATOM 716 O THR A 48 -0.112 11.823 -1.388 1.00 0.54 O ATOM 717 CB THR A 48 -2.786 9.946 -1.001 1.00 0.58 C ATOM 718 OG1 THR A 48 -3.569 8.937 -1.582 1.00 0.77 O ATOM 719 CG2 THR A 48 -3.741 10.890 -0.274 1.00 0.61 C ATOM 0 H THR A 48 -0.024 9.828 -2.201 1.00 0.49 H new ATOM 0 HA THR A 48 -2.706 10.749 -2.942 1.00 0.46 H new ATOM 0 HB THR A 48 -2.068 9.623 -0.247 1.00 0.58 H new ATOM 0 HG1 THR A 48 -3.218 8.722 -2.471 1.00 0.77 H new ATOM 0 HG21 THR A 48 -4.255 10.348 0.520 1.00 0.61 H new ATOM 0 HG22 THR A 48 -3.177 11.717 0.158 1.00 0.61 H new ATOM 0 HG23 THR A 48 -4.474 11.281 -0.980 1.00 0.61 H new ATOM 727 N PHE A 49 -1.976 12.982 -1.894 1.00 0.62 N ATOM 728 CA PHE A 49 -1.389 14.320 -1.802 1.00 0.72 C ATOM 729 C PHE A 49 -2.416 15.403 -1.465 1.00 0.71 C ATOM 730 O PHE A 49 -3.623 15.225 -1.620 1.00 0.59 O ATOM 731 CB PHE A 49 -0.690 14.664 -3.130 1.00 0.77 C ATOM 732 CG PHE A 49 -1.566 14.540 -4.370 1.00 0.76 C ATOM 733 CD1 PHE A 49 -2.455 15.580 -4.713 1.00 1.66 C ATOM 734 CD2 PHE A 49 -1.510 13.391 -5.181 1.00 2.00 C ATOM 735 CE1 PHE A 49 -3.264 15.477 -5.859 1.00 1.59 C ATOM 736 CE2 PHE A 49 -2.302 13.299 -6.332 1.00 2.14 C ATOM 737 CZ PHE A 49 -3.173 14.344 -6.683 1.00 0.95 C ATOM 0 H PHE A 49 -2.980 12.994 -2.072 1.00 0.62 H new ATOM 0 HA PHE A 49 -0.671 14.300 -0.983 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -0.313 15.685 -3.071 1.00 0.77 H new ATOM 0 HB3 PHE A 49 0.175 14.011 -3.248 1.00 0.77 H new ATOM 0 HD1 PHE A 49 -2.515 16.461 -4.092 1.00 1.66 H new ATOM 0 HD2 PHE A 49 -0.853 12.576 -4.914 1.00 2.00 H new ATOM 0 HE1 PHE A 49 -3.955 16.270 -6.105 1.00 1.59 H new ATOM 0 HE2 PHE A 49 -2.243 12.418 -6.954 1.00 2.14 H new ATOM 0 HZ PHE A 49 -3.769 14.276 -7.581 1.00 0.95 H new ATOM 747 N MET A 50 -1.915 16.578 -1.078 1.00 0.90 N ATOM 748 CA MET A 50 -2.677 17.821 -0.960 1.00 0.90 C ATOM 749 C MET A 50 -2.540 18.657 -2.244 1.00 0.86 C ATOM 750 O MET A 50 -1.479 18.675 -2.863 1.00 0.90 O ATOM 751 CB MET A 50 -2.187 18.576 0.283 1.00 1.06 C ATOM 752 CG MET A 50 -2.985 19.861 0.474 1.00 1.95 C ATOM 753 SD MET A 50 -2.739 20.693 2.061 1.00 2.41 S ATOM 754 CE MET A 50 -1.083 21.374 1.799 1.00 3.05 C ATOM 0 H MET A 50 -0.932 16.693 -0.830 1.00 0.90 H new ATOM 0 HA MET A 50 -3.739 17.609 -0.839 1.00 0.90 H new ATOM 0 HB2 MET A 50 -2.289 17.943 1.164 1.00 1.06 H new ATOM 0 HB3 MET A 50 -1.128 18.810 0.180 1.00 1.06 H new ATOM 0 HG2 MET A 50 -2.724 20.554 -0.326 1.00 1.95 H new ATOM 0 HG3 MET A 50 -4.045 19.631 0.363 1.00 1.95 H new ATOM 0 HE1 MET A 50 -0.771 21.924 2.687 1.00 3.05 H new ATOM 0 HE2 MET A 50 -0.381 20.562 1.610 1.00 3.05 H new ATOM 0 HE3 MET A 50 -1.098 22.047 0.942 1.00 3.05 H new ATOM 764 N ARG A 51 -3.609 19.347 -2.661 1.00 0.82 N ATOM 765 CA ARG A 51 -3.685 20.080 -3.932 1.00 0.82 C ATOM 766 C ARG A 51 -4.567 21.319 -3.793 1.00 0.81 C ATOM 767 O ARG A 51 -5.534 21.322 -3.037 1.00 0.85 O ATOM 768 CB ARG A 51 -4.257 19.164 -5.028 1.00 0.99 C ATOM 769 CG ARG A 51 -3.559 19.268 -6.396 1.00 1.05 C ATOM 770 CD ARG A 51 -4.414 19.998 -7.438 1.00 1.59 C ATOM 771 NE ARG A 51 -3.714 20.045 -8.730 1.00 2.53 N ATOM 772 CZ ARG A 51 -3.446 21.110 -9.480 1.00 3.29 C ATOM 773 NH1 ARG A 51 -3.869 22.320 -9.183 1.00 3.70 N ATOM 774 NH2 ARG A 51 -2.725 20.950 -10.568 1.00 4.35 N ATOM 0 H ARG A 51 -4.466 19.413 -2.111 1.00 0.82 H new ATOM 0 HA ARG A 51 -2.679 20.397 -4.205 1.00 0.82 H new ATOM 0 HB2 ARG A 51 -4.197 18.131 -4.685 1.00 0.99 H new ATOM 0 HB3 ARG A 51 -5.314 19.396 -5.158 1.00 0.99 H new ATOM 0 HG2 ARG A 51 -2.611 19.792 -6.277 1.00 1.05 H new ATOM 0 HG3 ARG A 51 -3.327 18.267 -6.759 1.00 1.05 H new ATOM 0 HD2 ARG A 51 -5.371 19.490 -7.554 1.00 1.59 H new ATOM 0 HD3 ARG A 51 -4.630 21.010 -7.097 1.00 1.59 H new ATOM 0 HE ARG A 51 -3.394 19.149 -9.097 1.00 2.53 H new ATOM 0 HH11 ARG A 51 -4.429 22.473 -8.345 1.00 3.70 H new ATOM 0 HH12 ARG A 51 -3.636 23.105 -9.791 1.00 3.70 H new ATOM 0 HH21 ARG A 51 -2.384 20.023 -10.822 1.00 4.35 H new ATOM 0 HH22 ARG A 51 -2.507 21.753 -11.158 1.00 4.35 H new ATOM 788 N GLU A 52 -4.280 22.349 -4.576 1.00 0.89 N ATOM 789 CA GLU A 52 -5.024 23.585 -4.639 1.00 0.92 C ATOM 790 C GLU A 52 -5.798 23.671 -5.956 1.00 0.92 C ATOM 791 O GLU A 52 -5.235 23.359 -7.008 1.00 1.00 O ATOM 792 CB GLU A 52 -3.972 24.692 -4.588 1.00 1.14 C ATOM 793 CG GLU A 52 -4.601 26.050 -4.354 1.00 1.28 C ATOM 794 CD GLU A 52 -4.835 26.263 -2.871 1.00 1.32 C ATOM 795 OE1 GLU A 52 -5.817 25.693 -2.366 1.00 1.89 O ATOM 796 OE2 GLU A 52 -4.068 26.975 -2.196 1.00 2.07 O ATOM 0 H GLU A 52 -3.483 22.338 -5.212 1.00 0.89 H new ATOM 0 HA GLU A 52 -5.747 23.663 -3.827 1.00 0.92 H new ATOM 0 HB2 GLU A 52 -3.258 24.479 -3.792 1.00 1.14 H new ATOM 0 HB3 GLU A 52 -3.412 24.706 -5.523 1.00 1.14 H new ATOM 0 HG2 GLU A 52 -3.951 26.833 -4.744 1.00 1.28 H new ATOM 0 HG3 GLU A 52 -5.545 26.121 -4.894 1.00 1.28 H new ATOM 803 N VAL A 53 -7.049 24.130 -5.919 1.00 0.95 N ATOM 804 CA VAL A 53 -7.819 24.544 -7.105 1.00 1.07 C ATOM 805 C VAL A 53 -8.593 25.807 -6.709 1.00 1.20 C ATOM 806 O VAL A 53 -9.195 25.806 -5.644 1.00 1.42 O ATOM 807 CB VAL A 53 -8.782 23.419 -7.574 1.00 1.16 C ATOM 808 CG1 VAL A 53 -9.520 23.828 -8.856 1.00 1.87 C ATOM 809 CG2 VAL A 53 -8.046 22.092 -7.855 1.00 2.01 C ATOM 0 H VAL A 53 -7.571 24.229 -5.048 1.00 0.95 H new ATOM 0 HA VAL A 53 -7.154 24.744 -7.945 1.00 1.07 H new ATOM 0 HB VAL A 53 -9.486 23.269 -6.756 1.00 1.16 H new ATOM 0 HG11 VAL A 53 -10.188 23.023 -9.164 1.00 1.87 H new ATOM 0 HG12 VAL A 53 -10.101 24.731 -8.669 1.00 1.87 H new ATOM 0 HG13 VAL A 53 -8.795 24.021 -9.647 1.00 1.87 H new ATOM 0 HG21 VAL A 53 -8.764 21.339 -8.180 1.00 2.01 H new ATOM 0 HG22 VAL A 53 -7.304 22.246 -8.638 1.00 2.01 H new ATOM 0 HG23 VAL A 53 -7.550 21.752 -6.946 1.00 2.01 H new ATOM 819 N GLU A 54 -8.504 26.901 -7.481 1.00 1.45 N ATOM 820 CA GLU A 54 -9.119 28.217 -7.171 1.00 1.65 C ATOM 821 C GLU A 54 -8.603 28.874 -5.861 1.00 1.64 C ATOM 822 O GLU A 54 -9.285 29.711 -5.272 1.00 1.81 O ATOM 823 CB GLU A 54 -10.657 28.126 -7.101 1.00 1.77 C ATOM 824 CG GLU A 54 -11.434 27.626 -8.320 1.00 2.10 C ATOM 825 CD GLU A 54 -12.859 27.373 -7.836 1.00 2.29 C ATOM 826 OE1 GLU A 54 -13.078 26.308 -7.216 1.00 2.68 O ATOM 827 OE2 GLU A 54 -13.672 28.325 -7.805 1.00 2.99 O ATOM 0 H GLU A 54 -7.991 26.903 -8.363 1.00 1.45 H new ATOM 0 HA GLU A 54 -8.813 28.854 -8.001 1.00 1.65 H new ATOM 0 HB2 GLU A 54 -10.909 27.476 -6.263 1.00 1.77 H new ATOM 0 HB3 GLU A 54 -11.033 29.120 -6.858 1.00 1.77 H new ATOM 0 HG2 GLU A 54 -11.420 28.364 -9.122 1.00 2.10 H new ATOM 0 HG3 GLU A 54 -10.990 26.714 -8.719 1.00 2.10 H new ATOM 834 N GLY A 55 -7.439 28.462 -5.338 1.00 1.55 N ATOM 835 CA GLY A 55 -6.977 28.869 -3.992 1.00 1.61 C ATOM 836 C GLY A 55 -7.693 28.133 -2.847 1.00 1.41 C ATOM 837 O GLY A 55 -7.545 28.489 -1.675 1.00 1.61 O ATOM 0 H GLY A 55 -6.792 27.843 -5.827 1.00 1.55 H new ATOM 0 HA2 GLY A 55 -5.905 28.688 -3.915 1.00 1.61 H new ATOM 0 HA3 GLY A 55 -7.128 29.942 -3.874 1.00 1.61 H new ATOM 841 N LYS A 56 -8.446 27.084 -3.179 1.00 1.16 N ATOM 842 CA LYS A 56 -9.195 26.206 -2.282 1.00 1.13 C ATOM 843 C LYS A 56 -8.522 24.823 -2.269 1.00 1.01 C ATOM 844 O LYS A 56 -8.366 24.148 -3.295 1.00 0.94 O ATOM 845 CB LYS A 56 -10.678 26.132 -2.706 1.00 1.27 C ATOM 846 CG LYS A 56 -11.485 27.385 -2.317 1.00 1.56 C ATOM 847 CD LYS A 56 -12.890 27.377 -2.951 1.00 1.77 C ATOM 848 CE LYS A 56 -12.897 28.167 -4.267 1.00 2.46 C ATOM 849 NZ LYS A 56 -14.006 27.775 -5.171 1.00 2.66 N ATOM 0 H LYS A 56 -8.556 26.806 -4.154 1.00 1.16 H new ATOM 0 HA LYS A 56 -9.183 26.605 -1.268 1.00 1.13 H new ATOM 0 HB2 LYS A 56 -10.734 25.993 -3.786 1.00 1.27 H new ATOM 0 HB3 LYS A 56 -11.137 25.256 -2.248 1.00 1.27 H new ATOM 0 HG2 LYS A 56 -11.576 27.437 -1.232 1.00 1.56 H new ATOM 0 HG3 LYS A 56 -10.947 28.278 -2.635 1.00 1.56 H new ATOM 0 HD2 LYS A 56 -13.205 26.350 -3.136 1.00 1.77 H new ATOM 0 HD3 LYS A 56 -13.610 27.811 -2.257 1.00 1.77 H new ATOM 0 HE2 LYS A 56 -12.975 29.231 -4.045 1.00 2.46 H new ATOM 0 HE3 LYS A 56 -11.947 28.017 -4.780 1.00 2.46 H new ATOM 0 HZ1 LYS A 56 -14.119 28.494 -5.914 1.00 2.66 H new ATOM 0 HZ2 LYS A 56 -13.789 26.857 -5.609 1.00 2.66 H new ATOM 0 HZ3 LYS A 56 -14.888 27.699 -4.625 1.00 2.66 H new ATOM 863 N LYS A 57 -8.069 24.436 -1.078 1.00 1.05 N ATOM 864 CA LYS A 57 -7.159 23.311 -0.863 1.00 0.97 C ATOM 865 C LYS A 57 -7.904 22.013 -0.531 1.00 0.90 C ATOM 866 O LYS A 57 -8.626 21.935 0.459 1.00 1.09 O ATOM 867 CB LYS A 57 -6.073 23.699 0.160 1.00 1.16 C ATOM 868 CG LYS A 57 -6.545 24.301 1.498 1.00 1.59 C ATOM 869 CD LYS A 57 -5.669 25.484 1.960 1.00 2.22 C ATOM 870 CE LYS A 57 -6.087 26.850 1.378 1.00 3.08 C ATOM 871 NZ LYS A 57 -5.701 27.071 -0.040 1.00 3.83 N ATOM 0 H LYS A 57 -8.331 24.908 -0.213 1.00 1.05 H new ATOM 0 HA LYS A 57 -6.644 23.089 -1.798 1.00 0.97 H new ATOM 0 HB2 LYS A 57 -5.483 22.809 0.380 1.00 1.16 H new ATOM 0 HB3 LYS A 57 -5.403 24.416 -0.315 1.00 1.16 H new ATOM 0 HG2 LYS A 57 -7.577 24.636 1.397 1.00 1.59 H new ATOM 0 HG3 LYS A 57 -6.535 23.526 2.264 1.00 1.59 H new ATOM 0 HD2 LYS A 57 -5.701 25.541 3.048 1.00 2.22 H new ATOM 0 HD3 LYS A 57 -4.634 25.285 1.681 1.00 2.22 H new ATOM 0 HE2 LYS A 57 -7.169 26.950 1.464 1.00 3.08 H new ATOM 0 HE3 LYS A 57 -5.645 27.639 1.987 1.00 3.08 H new ATOM 0 HZ1 LYS A 57 -6.066 27.991 -0.360 1.00 3.83 H new ATOM 0 HZ2 LYS A 57 -4.664 27.062 -0.123 1.00 3.83 H new ATOM 0 HZ3 LYS A 57 -6.102 26.315 -0.631 1.00 3.83 H new ATOM 885 N VAL A 58 -7.702 21.009 -1.374 1.00 0.84 N ATOM 886 CA VAL A 58 -8.307 19.677 -1.372 1.00 0.85 C ATOM 887 C VAL A 58 -7.209 18.604 -1.270 1.00 0.83 C ATOM 888 O VAL A 58 -6.022 18.928 -1.200 1.00 1.02 O ATOM 889 CB VAL A 58 -9.146 19.487 -2.659 1.00 0.98 C ATOM 890 CG1 VAL A 58 -10.365 20.425 -2.670 1.00 2.05 C ATOM 891 CG2 VAL A 58 -8.331 19.677 -3.954 1.00 1.97 C ATOM 0 H VAL A 58 -7.049 21.113 -2.151 1.00 0.84 H new ATOM 0 HA VAL A 58 -8.966 19.575 -0.509 1.00 0.85 H new ATOM 0 HB VAL A 58 -9.483 18.451 -2.640 1.00 0.98 H new ATOM 0 HG11 VAL A 58 -10.936 20.269 -3.586 1.00 2.05 H new ATOM 0 HG12 VAL A 58 -10.997 20.211 -1.808 1.00 2.05 H new ATOM 0 HG13 VAL A 58 -10.028 21.460 -2.624 1.00 2.05 H new ATOM 0 HG21 VAL A 58 -8.980 19.530 -4.817 1.00 1.97 H new ATOM 0 HG22 VAL A 58 -7.917 20.685 -3.979 1.00 1.97 H new ATOM 0 HG23 VAL A 58 -7.519 18.951 -3.983 1.00 1.97 H new ATOM 901 N MET A 59 -7.584 17.324 -1.288 1.00 0.73 N ATOM 902 CA MET A 59 -6.660 16.191 -1.438 1.00 0.66 C ATOM 903 C MET A 59 -6.932 15.423 -2.737 1.00 0.60 C ATOM 904 O MET A 59 -7.984 15.591 -3.351 1.00 0.79 O ATOM 905 CB MET A 59 -6.734 15.274 -0.205 1.00 0.78 C ATOM 906 CG MET A 59 -6.185 15.989 1.033 1.00 0.90 C ATOM 907 SD MET A 59 -6.110 14.944 2.506 1.00 2.17 S ATOM 908 CE MET A 59 -5.286 16.105 3.624 1.00 2.49 C ATOM 0 H MET A 59 -8.558 17.037 -1.197 1.00 0.73 H new ATOM 0 HA MET A 59 -5.644 16.579 -1.505 1.00 0.66 H new ATOM 0 HB2 MET A 59 -7.767 14.974 -0.030 1.00 0.78 H new ATOM 0 HB3 MET A 59 -6.164 14.363 -0.388 1.00 0.78 H new ATOM 0 HG2 MET A 59 -5.185 16.362 0.812 1.00 0.90 H new ATOM 0 HG3 MET A 59 -6.809 16.857 1.246 1.00 0.90 H new ATOM 0 HE1 MET A 59 -5.149 15.636 4.599 1.00 2.49 H new ATOM 0 HE2 MET A 59 -4.314 16.378 3.213 1.00 2.49 H new ATOM 0 HE3 MET A 59 -5.898 17.000 3.735 1.00 2.49 H new ATOM 918 N GLY A 60 -5.970 14.607 -3.170 1.00 0.57 N ATOM 919 CA GLY A 60 -6.040 13.810 -4.395 1.00 0.55 C ATOM 920 C GLY A 60 -5.155 12.569 -4.338 1.00 0.47 C ATOM 921 O GLY A 60 -4.422 12.355 -3.379 1.00 0.50 O ATOM 0 H GLY A 60 -5.095 14.479 -2.663 1.00 0.57 H new ATOM 0 HA2 GLY A 60 -7.073 13.508 -4.569 1.00 0.55 H new ATOM 0 HA3 GLY A 60 -5.741 14.426 -5.243 1.00 0.55 H new ATOM 925 N MET A 61 -5.244 11.741 -5.375 1.00 0.46 N ATOM 926 CA MET A 61 -4.646 10.408 -5.467 1.00 0.45 C ATOM 927 C MET A 61 -4.427 10.056 -6.936 1.00 0.46 C ATOM 928 O MET A 61 -5.205 10.449 -7.802 1.00 0.50 O ATOM 929 CB MET A 61 -5.576 9.419 -4.735 1.00 0.52 C ATOM 930 CG MET A 61 -5.380 7.922 -5.035 1.00 0.52 C ATOM 931 SD MET A 61 -6.678 6.788 -4.423 1.00 0.50 S ATOM 932 CE MET A 61 -7.251 7.650 -2.937 1.00 0.61 C ATOM 0 H MET A 61 -5.761 11.992 -6.218 1.00 0.46 H new ATOM 0 HA MET A 61 -3.668 10.364 -4.988 1.00 0.45 H new ATOM 0 HB2 MET A 61 -5.452 9.568 -3.662 1.00 0.52 H new ATOM 0 HB3 MET A 61 -6.606 9.681 -4.977 1.00 0.52 H new ATOM 0 HG2 MET A 61 -5.301 7.798 -6.115 1.00 0.52 H new ATOM 0 HG3 MET A 61 -4.427 7.611 -4.608 1.00 0.52 H new ATOM 0 HE1 MET A 61 -7.911 6.995 -2.368 1.00 0.61 H new ATOM 0 HE2 MET A 61 -6.394 7.924 -2.322 1.00 0.61 H new ATOM 0 HE3 MET A 61 -7.794 8.550 -3.225 1.00 0.61 H new ATOM 942 N ARG A 62 -3.345 9.330 -7.201 1.00 0.48 N ATOM 943 CA ARG A 62 -2.891 8.927 -8.533 1.00 0.53 C ATOM 944 C ARG A 62 -2.190 7.566 -8.436 1.00 0.55 C ATOM 945 O ARG A 62 -1.642 7.265 -7.371 1.00 0.57 O ATOM 946 CB ARG A 62 -1.880 9.961 -9.060 1.00 0.70 C ATOM 947 CG ARG A 62 -2.504 11.235 -9.650 1.00 1.17 C ATOM 948 CD ARG A 62 -1.469 12.039 -10.462 1.00 1.56 C ATOM 949 NE ARG A 62 -0.174 12.171 -9.761 1.00 2.82 N ATOM 950 CZ ARG A 62 1.046 11.971 -10.239 1.00 3.87 C ATOM 951 NH1 ARG A 62 1.292 11.828 -11.522 1.00 3.88 N ATOM 952 NH2 ARG A 62 2.054 11.897 -9.404 1.00 5.17 N ATOM 0 H ARG A 62 -2.731 8.990 -6.461 1.00 0.48 H new ATOM 0 HA ARG A 62 -3.747 8.863 -9.205 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -1.214 10.244 -8.245 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -1.264 9.488 -9.825 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -3.345 10.968 -10.290 1.00 1.17 H new ATOM 0 HG3 ARG A 62 -2.900 11.855 -8.846 1.00 1.17 H new ATOM 0 HD2 ARG A 62 -1.309 11.551 -11.424 1.00 1.56 H new ATOM 0 HD3 ARG A 62 -1.868 13.032 -10.670 1.00 1.56 H new ATOM 0 HE ARG A 62 -0.226 12.453 -8.782 1.00 2.82 H new ATOM 0 HH11 ARG A 62 0.527 11.869 -12.196 1.00 3.88 H new ATOM 0 HH12 ARG A 62 2.248 11.676 -11.844 1.00 3.88 H new ATOM 0 HH21 ARG A 62 1.894 11.993 -8.401 1.00 5.17 H new ATOM 0 HH22 ARG A 62 2.999 11.743 -9.757 1.00 5.17 H new ATOM 966 N PRO A 63 -2.156 6.758 -9.510 1.00 0.57 N ATOM 967 CA PRO A 63 -1.257 5.621 -9.585 1.00 0.54 C ATOM 968 C PRO A 63 0.178 6.091 -9.848 1.00 0.52 C ATOM 969 O PRO A 63 0.384 7.164 -10.414 1.00 0.54 O ATOM 970 CB PRO A 63 -1.806 4.750 -10.708 1.00 0.57 C ATOM 971 CG PRO A 63 -2.374 5.787 -11.680 1.00 0.60 C ATOM 972 CD PRO A 63 -2.906 6.886 -10.751 1.00 0.59 C ATOM 0 HA PRO A 63 -1.210 5.057 -8.653 1.00 0.54 H new ATOM 0 HB2 PRO A 63 -1.027 4.144 -11.170 1.00 0.57 H new ATOM 0 HB3 PRO A 63 -2.574 4.064 -10.351 1.00 0.57 H new ATOM 0 HG2 PRO A 63 -1.608 6.167 -12.356 1.00 0.60 H new ATOM 0 HG3 PRO A 63 -3.166 5.366 -12.300 1.00 0.60 H new ATOM 0 HD2 PRO A 63 -2.765 7.873 -11.192 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -3.975 6.765 -10.575 1.00 0.59 H new ATOM 980 N VAL A 64 1.155 5.283 -9.426 1.00 0.51 N ATOM 981 CA VAL A 64 2.601 5.560 -9.532 1.00 0.48 C ATOM 982 C VAL A 64 3.368 4.283 -9.930 1.00 0.46 C ATOM 983 O VAL A 64 2.857 3.189 -9.679 1.00 0.46 O ATOM 984 CB VAL A 64 3.169 6.173 -8.226 1.00 0.48 C ATOM 985 CG1 VAL A 64 2.548 7.547 -7.952 1.00 0.64 C ATOM 986 CG2 VAL A 64 3.020 5.274 -6.991 1.00 0.61 C ATOM 0 H VAL A 64 0.960 4.384 -8.985 1.00 0.51 H new ATOM 0 HA VAL A 64 2.740 6.303 -10.317 1.00 0.48 H new ATOM 0 HB VAL A 64 4.240 6.277 -8.400 1.00 0.48 H new ATOM 0 HG11 VAL A 64 2.962 7.956 -7.031 1.00 0.64 H new ATOM 0 HG12 VAL A 64 2.772 8.219 -8.781 1.00 0.64 H new ATOM 0 HG13 VAL A 64 1.468 7.444 -7.850 1.00 0.64 H new ATOM 0 HG21 VAL A 64 3.442 5.777 -6.121 1.00 0.61 H new ATOM 0 HG22 VAL A 64 1.964 5.070 -6.815 1.00 0.61 H new ATOM 0 HG23 VAL A 64 3.548 4.335 -7.159 1.00 0.61 H new ATOM 996 N PRO A 65 4.553 4.386 -10.573 1.00 0.47 N ATOM 997 CA PRO A 65 5.212 3.251 -11.222 1.00 0.47 C ATOM 998 C PRO A 65 5.941 2.343 -10.236 1.00 0.44 C ATOM 999 O PRO A 65 6.068 1.153 -10.513 1.00 0.46 O ATOM 1000 CB PRO A 65 6.169 3.872 -12.243 1.00 0.52 C ATOM 1001 CG PRO A 65 6.576 5.185 -11.584 1.00 0.51 C ATOM 1002 CD PRO A 65 5.310 5.605 -10.838 1.00 0.49 C ATOM 0 HA PRO A 65 4.481 2.595 -11.695 1.00 0.47 H new ATOM 0 HB2 PRO A 65 7.031 3.231 -12.429 1.00 0.52 H new ATOM 0 HB3 PRO A 65 5.681 4.038 -13.204 1.00 0.52 H new ATOM 0 HG2 PRO A 65 7.418 5.051 -10.905 1.00 0.51 H new ATOM 0 HG3 PRO A 65 6.876 5.930 -12.321 1.00 0.51 H new ATOM 0 HD2 PRO A 65 5.561 6.114 -9.908 1.00 0.49 H new ATOM 0 HD3 PRO A 65 4.723 6.303 -11.435 1.00 0.49 H new ATOM 1010 N PHE A 66 6.395 2.889 -9.103 1.00 0.42 N ATOM 1011 CA PHE A 66 7.100 2.175 -8.032 1.00 0.40 C ATOM 1012 C PHE A 66 7.396 3.088 -6.838 1.00 0.40 C ATOM 1013 O PHE A 66 7.386 4.316 -6.955 1.00 0.44 O ATOM 1014 CB PHE A 66 8.409 1.542 -8.534 1.00 0.42 C ATOM 1015 CG PHE A 66 9.447 2.555 -8.950 1.00 0.46 C ATOM 1016 CD1 PHE A 66 9.477 3.021 -10.273 1.00 1.68 C ATOM 1017 CD2 PHE A 66 10.330 3.078 -7.990 1.00 1.89 C ATOM 1018 CE1 PHE A 66 10.406 4.015 -10.635 1.00 1.66 C ATOM 1019 CE2 PHE A 66 11.236 4.088 -8.339 1.00 1.96 C ATOM 1020 CZ PHE A 66 11.282 4.550 -9.667 1.00 0.61 C ATOM 0 H PHE A 66 6.277 3.881 -8.898 1.00 0.42 H new ATOM 0 HA PHE A 66 6.431 1.379 -7.704 1.00 0.40 H new ATOM 0 HB2 PHE A 66 8.823 0.911 -7.747 1.00 0.42 H new ATOM 0 HB3 PHE A 66 8.188 0.892 -9.380 1.00 0.42 H new ATOM 0 HD1 PHE A 66 8.794 2.621 -11.007 1.00 1.68 H new ATOM 0 HD2 PHE A 66 10.310 2.700 -6.979 1.00 1.89 H new ATOM 0 HE1 PHE A 66 10.448 4.368 -11.655 1.00 1.66 H new ATOM 0 HE2 PHE A 66 11.895 4.509 -7.594 1.00 1.96 H new ATOM 0 HZ PHE A 66 11.990 5.316 -9.946 1.00 0.61 H new ATOM 1030 N LEU A 67 7.741 2.462 -5.708 1.00 0.41 N ATOM 1031 CA LEU A 67 8.342 3.103 -4.538 1.00 0.47 C ATOM 1032 C LEU A 67 9.768 2.590 -4.335 1.00 0.54 C ATOM 1033 O LEU A 67 10.076 1.449 -4.673 1.00 0.58 O ATOM 1034 CB LEU A 67 7.533 2.800 -3.267 1.00 0.51 C ATOM 1035 CG LEU A 67 6.012 2.997 -3.345 1.00 0.51 C ATOM 1036 CD1 LEU A 67 5.450 2.780 -1.941 1.00 0.61 C ATOM 1037 CD2 LEU A 67 5.591 4.378 -3.848 1.00 0.53 C ATOM 0 H LEU A 67 7.604 1.459 -5.580 1.00 0.41 H new ATOM 0 HA LEU A 67 8.347 4.178 -4.715 1.00 0.47 H new ATOM 0 HB2 LEU A 67 7.726 1.766 -2.981 1.00 0.51 H new ATOM 0 HB3 LEU A 67 7.915 3.430 -2.464 1.00 0.51 H new ATOM 0 HG LEU A 67 5.620 2.282 -4.069 1.00 0.51 H new ATOM 0 HD11 LEU A 67 4.368 2.912 -1.958 1.00 0.61 H new ATOM 0 HD12 LEU A 67 5.687 1.770 -1.606 1.00 0.61 H new ATOM 0 HD13 LEU A 67 5.893 3.503 -1.256 1.00 0.61 H new ATOM 0 HD21 LEU A 67 4.503 4.439 -3.875 1.00 0.53 H new ATOM 0 HD22 LEU A 67 5.981 5.144 -3.178 1.00 0.53 H new ATOM 0 HD23 LEU A 67 5.988 4.537 -4.851 1.00 0.53 H new ATOM 1049 N GLU A 68 10.615 3.419 -3.734 1.00 0.60 N ATOM 1050 CA GLU A 68 12.013 3.105 -3.423 1.00 0.67 C ATOM 1051 C GLU A 68 12.186 3.003 -1.905 1.00 0.81 C ATOM 1052 O GLU A 68 11.565 3.771 -1.169 1.00 0.96 O ATOM 1053 CB GLU A 68 12.912 4.230 -3.972 1.00 0.88 C ATOM 1054 CG GLU A 68 14.423 4.012 -3.771 1.00 0.92 C ATOM 1055 CD GLU A 68 15.040 3.094 -4.832 1.00 1.00 C ATOM 1056 OE1 GLU A 68 14.401 2.097 -5.227 1.00 2.02 O ATOM 1057 OE2 GLU A 68 16.132 3.420 -5.345 1.00 1.66 O ATOM 0 H GLU A 68 10.344 4.357 -3.439 1.00 0.60 H new ATOM 0 HA GLU A 68 12.291 2.156 -3.881 1.00 0.67 H new ATOM 0 HB2 GLU A 68 12.715 4.344 -5.038 1.00 0.88 H new ATOM 0 HB3 GLU A 68 12.629 5.167 -3.493 1.00 0.88 H new ATOM 0 HG2 GLU A 68 14.930 4.977 -3.793 1.00 0.92 H new ATOM 0 HG3 GLU A 68 14.595 3.584 -2.783 1.00 0.92 H new ATOM 1064 N VAL A 69 13.070 2.113 -1.445 1.00 0.82 N ATOM 1065 CA VAL A 69 13.568 2.100 -0.064 1.00 0.88 C ATOM 1066 C VAL A 69 15.098 1.919 -0.027 1.00 0.81 C ATOM 1067 O VAL A 69 15.596 0.889 -0.491 1.00 0.84 O ATOM 1068 CB VAL A 69 12.877 1.006 0.787 1.00 0.91 C ATOM 1069 CG1 VAL A 69 13.228 1.176 2.277 1.00 0.95 C ATOM 1070 CG2 VAL A 69 11.347 1.035 0.658 1.00 1.11 C ATOM 0 H VAL A 69 13.465 1.373 -2.026 1.00 0.82 H new ATOM 0 HA VAL A 69 13.322 3.068 0.372 1.00 0.88 H new ATOM 0 HB VAL A 69 13.244 0.053 0.406 1.00 0.91 H new ATOM 0 HG11 VAL A 69 12.733 0.398 2.858 1.00 0.95 H new ATOM 0 HG12 VAL A 69 14.307 1.096 2.408 1.00 0.95 H new ATOM 0 HG13 VAL A 69 12.893 2.155 2.620 1.00 0.95 H new ATOM 0 HG21 VAL A 69 10.915 0.247 1.275 1.00 1.11 H new ATOM 0 HG22 VAL A 69 10.972 2.003 0.990 1.00 1.11 H new ATOM 0 HG23 VAL A 69 11.067 0.875 -0.383 1.00 1.11 H new ATOM 1080 N PRO A 70 15.866 2.875 0.539 1.00 0.81 N ATOM 1081 CA PRO A 70 17.326 2.805 0.594 1.00 0.82 C ATOM 1082 C PRO A 70 17.804 1.713 1.569 1.00 0.79 C ATOM 1083 O PRO A 70 17.036 1.316 2.448 1.00 0.83 O ATOM 1084 CB PRO A 70 17.781 4.204 1.031 1.00 0.93 C ATOM 1085 CG PRO A 70 16.615 4.702 1.880 1.00 0.92 C ATOM 1086 CD PRO A 70 15.401 4.100 1.178 1.00 0.90 C ATOM 0 HA PRO A 70 17.754 2.531 -0.370 1.00 0.82 H new ATOM 0 HB2 PRO A 70 18.708 4.165 1.603 1.00 0.93 H new ATOM 0 HB3 PRO A 70 17.962 4.854 0.175 1.00 0.93 H new ATOM 0 HG2 PRO A 70 16.694 4.363 2.913 1.00 0.92 H new ATOM 0 HG3 PRO A 70 16.569 5.791 1.904 1.00 0.92 H new ATOM 0 HD2 PRO A 70 14.604 3.889 1.891 1.00 0.90 H new ATOM 0 HD3 PRO A 70 14.994 4.793 0.441 1.00 0.90 H new ATOM 1094 N PRO A 71 19.054 1.223 1.435 1.00 0.81 N ATOM 1095 CA PRO A 71 19.605 0.160 2.276 1.00 0.81 C ATOM 1096 C PRO A 71 19.635 0.549 3.750 1.00 0.86 C ATOM 1097 O PRO A 71 19.934 1.694 4.085 1.00 0.92 O ATOM 1098 CB PRO A 71 21.001 -0.126 1.732 1.00 0.91 C ATOM 1099 CG PRO A 71 21.390 1.145 0.985 1.00 0.97 C ATOM 1100 CD PRO A 71 20.050 1.658 0.466 1.00 0.89 C ATOM 0 HA PRO A 71 18.979 -0.731 2.236 1.00 0.81 H new ATOM 0 HB2 PRO A 71 21.703 -0.344 2.537 1.00 0.91 H new ATOM 0 HB3 PRO A 71 20.999 -0.991 1.069 1.00 0.91 H new ATOM 0 HG2 PRO A 71 21.873 1.868 1.642 1.00 0.97 H new ATOM 0 HG3 PRO A 71 22.086 0.939 0.172 1.00 0.97 H new ATOM 0 HD2 PRO A 71 20.057 2.744 0.374 1.00 0.89 H new ATOM 0 HD3 PRO A 71 19.834 1.255 -0.524 1.00 0.89 H new ATOM 1108 N LYS A 72 19.276 -0.406 4.622 1.00 0.88 N ATOM 1109 CA LYS A 72 19.149 -0.251 6.086 1.00 0.99 C ATOM 1110 C LYS A 72 18.032 0.719 6.519 1.00 1.05 C ATOM 1111 O LYS A 72 17.772 0.882 7.710 1.00 1.19 O ATOM 1112 CB LYS A 72 20.505 0.124 6.720 1.00 1.13 C ATOM 1113 CG LYS A 72 21.697 -0.703 6.211 1.00 1.32 C ATOM 1114 CD LYS A 72 21.557 -2.217 6.435 1.00 1.13 C ATOM 1115 CE LYS A 72 22.701 -2.925 5.710 1.00 1.32 C ATOM 1116 NZ LYS A 72 22.611 -4.400 5.798 1.00 1.62 N ATOM 0 H LYS A 72 19.055 -1.353 4.315 1.00 0.88 H new ATOM 0 HA LYS A 72 18.844 -1.226 6.466 1.00 0.99 H new ATOM 0 HB2 LYS A 72 20.702 1.179 6.528 1.00 1.13 H new ATOM 0 HB3 LYS A 72 20.432 0.005 7.801 1.00 1.13 H new ATOM 0 HG2 LYS A 72 21.826 -0.515 5.145 1.00 1.32 H new ATOM 0 HG3 LYS A 72 22.603 -0.356 6.707 1.00 1.32 H new ATOM 0 HD2 LYS A 72 21.585 -2.446 7.500 1.00 1.13 H new ATOM 0 HD3 LYS A 72 20.596 -2.568 6.059 1.00 1.13 H new ATOM 0 HE2 LYS A 72 22.700 -2.628 4.661 1.00 1.32 H new ATOM 0 HE3 LYS A 72 23.651 -2.598 6.133 1.00 1.32 H new ATOM 0 HZ1 LYS A 72 22.778 -4.815 4.859 1.00 1.62 H new ATOM 0 HZ2 LYS A 72 23.328 -4.752 6.464 1.00 1.62 H new ATOM 0 HZ3 LYS A 72 21.664 -4.671 6.133 1.00 1.62 H new ATOM 1130 N GLY A 73 17.375 1.367 5.554 1.00 1.03 N ATOM 1131 CA GLY A 73 16.337 2.384 5.718 1.00 1.16 C ATOM 1132 C GLY A 73 14.924 1.809 5.682 1.00 1.13 C ATOM 1133 O GLY A 73 14.721 0.598 5.584 1.00 0.99 O ATOM 0 H GLY A 73 17.569 1.181 4.570 1.00 1.03 H new ATOM 0 HA2 GLY A 73 16.489 2.900 6.666 1.00 1.16 H new ATOM 0 HA3 GLY A 73 16.440 3.130 4.930 1.00 1.16 H new ATOM 1137 N ARG A 74 13.932 2.700 5.773 1.00 1.47 N ATOM 1138 CA ARG A 74 12.508 2.354 5.760 1.00 1.47 C ATOM 1139 C ARG A 74 11.646 3.480 5.185 1.00 1.77 C ATOM 1140 O ARG A 74 12.013 4.646 5.298 1.00 2.14 O ATOM 1141 CB ARG A 74 12.037 1.966 7.172 1.00 1.55 C ATOM 1142 CG ARG A 74 12.077 3.103 8.214 1.00 2.33 C ATOM 1143 CD ARG A 74 10.714 3.352 8.846 1.00 2.54 C ATOM 1144 NE ARG A 74 10.316 2.247 9.737 1.00 2.56 N ATOM 1145 CZ ARG A 74 9.311 2.277 10.596 1.00 3.23 C ATOM 1146 NH1 ARG A 74 8.408 3.234 10.604 1.00 3.99 N ATOM 1147 NH2 ARG A 74 9.201 1.288 11.452 1.00 3.78 N ATOM 0 H ARG A 74 14.100 3.702 5.860 1.00 1.47 H new ATOM 0 HA ARG A 74 12.386 1.494 5.102 1.00 1.47 H new ATOM 0 HB2 ARG A 74 11.016 1.591 7.107 1.00 1.55 H new ATOM 0 HB3 ARG A 74 12.656 1.144 7.531 1.00 1.55 H new ATOM 0 HG2 ARG A 74 12.797 2.854 8.994 1.00 2.33 H new ATOM 0 HG3 ARG A 74 12.427 4.018 7.737 1.00 2.33 H new ATOM 0 HD2 ARG A 74 10.740 4.284 9.411 1.00 2.54 H new ATOM 0 HD3 ARG A 74 9.966 3.475 8.062 1.00 2.54 H new ATOM 0 HE ARG A 74 10.862 1.387 9.687 1.00 2.56 H new ATOM 0 HH11 ARG A 74 8.466 3.995 9.928 1.00 3.99 H new ATOM 0 HH12 ARG A 74 7.650 3.214 11.286 1.00 3.99 H new ATOM 0 HH21 ARG A 74 9.879 0.526 11.441 1.00 3.78 H new ATOM 0 HH22 ARG A 74 8.437 1.281 12.128 1.00 3.78 H new ATOM 1161 N VAL A 75 10.500 3.123 4.609 1.00 1.82 N ATOM 1162 CA VAL A 75 9.468 4.044 4.100 1.00 2.29 C ATOM 1163 C VAL A 75 8.124 3.321 4.168 1.00 1.80 C ATOM 1164 O VAL A 75 7.972 2.255 3.580 1.00 1.86 O ATOM 1165 CB VAL A 75 9.709 4.496 2.630 1.00 3.14 C ATOM 1166 CG1 VAL A 75 8.620 5.497 2.191 1.00 3.71 C ATOM 1167 CG2 VAL A 75 11.080 5.157 2.398 1.00 3.72 C ATOM 0 H VAL A 75 10.248 2.144 4.475 1.00 1.82 H new ATOM 0 HA VAL A 75 9.496 4.942 4.717 1.00 2.29 H new ATOM 0 HB VAL A 75 9.674 3.581 2.039 1.00 3.14 H new ATOM 0 HG11 VAL A 75 8.802 5.804 1.161 1.00 3.71 H new ATOM 0 HG12 VAL A 75 7.641 5.023 2.261 1.00 3.71 H new ATOM 0 HG13 VAL A 75 8.647 6.372 2.841 1.00 3.71 H new ATOM 0 HG21 VAL A 75 11.173 5.444 1.351 1.00 3.72 H new ATOM 0 HG22 VAL A 75 11.168 6.043 3.026 1.00 3.72 H new ATOM 0 HG23 VAL A 75 11.871 4.452 2.653 1.00 3.72 H new ATOM 1177 N GLU A 76 7.134 3.888 4.858 1.00 1.56 N ATOM 1178 CA GLU A 76 5.786 3.312 4.888 1.00 1.13 C ATOM 1179 C GLU A 76 4.962 3.757 3.675 1.00 0.98 C ATOM 1180 O GLU A 76 4.933 4.943 3.323 1.00 1.19 O ATOM 1181 CB GLU A 76 4.979 3.650 6.163 1.00 1.47 C ATOM 1182 CG GLU A 76 5.727 3.650 7.505 1.00 1.80 C ATOM 1183 CD GLU A 76 6.724 4.797 7.623 1.00 2.11 C ATOM 1184 OE1 GLU A 76 6.487 5.831 6.957 1.00 2.92 O ATOM 1185 OE2 GLU A 76 7.775 4.603 8.267 1.00 2.98 O ATOM 0 H GLU A 76 7.238 4.744 5.403 1.00 1.56 H new ATOM 0 HA GLU A 76 5.953 2.235 4.873 1.00 1.13 H new ATOM 0 HB2 GLU A 76 4.535 4.636 6.027 1.00 1.47 H new ATOM 0 HB3 GLU A 76 4.157 2.938 6.238 1.00 1.47 H new ATOM 0 HG2 GLU A 76 5.005 3.717 8.319 1.00 1.80 H new ATOM 0 HG3 GLU A 76 6.253 2.703 7.623 1.00 1.80 H new ATOM 1192 N LEU A 77 4.168 2.830 3.145 1.00 0.80 N ATOM 1193 CA LEU A 77 2.885 3.117 2.519 1.00 0.74 C ATOM 1194 C LEU A 77 1.932 3.665 3.597 1.00 1.08 C ATOM 1195 O LEU A 77 1.161 2.932 4.212 1.00 2.20 O ATOM 1196 CB LEU A 77 2.321 1.846 1.856 1.00 0.70 C ATOM 1197 CG LEU A 77 3.011 1.409 0.552 1.00 0.72 C ATOM 1198 CD1 LEU A 77 4.394 0.773 0.770 1.00 0.64 C ATOM 1199 CD2 LEU A 77 2.135 0.380 -0.164 1.00 1.19 C ATOM 0 H LEU A 77 4.406 1.838 3.140 1.00 0.80 H new ATOM 0 HA LEU A 77 3.002 3.864 1.734 1.00 0.74 H new ATOM 0 HB2 LEU A 77 2.386 1.026 2.572 1.00 0.70 H new ATOM 0 HB3 LEU A 77 1.263 2.006 1.649 1.00 0.70 H new ATOM 0 HG LEU A 77 3.149 2.316 -0.037 1.00 0.72 H new ATOM 0 HD11 LEU A 77 4.820 0.490 -0.192 1.00 0.64 H new ATOM 0 HD12 LEU A 77 5.051 1.491 1.261 1.00 0.64 H new ATOM 0 HD13 LEU A 77 4.292 -0.113 1.397 1.00 0.64 H new ATOM 0 HD21 LEU A 77 2.621 0.068 -1.088 1.00 1.19 H new ATOM 0 HD22 LEU A 77 1.992 -0.487 0.481 1.00 1.19 H new ATOM 0 HD23 LEU A 77 1.167 0.824 -0.395 1.00 1.19 H new ATOM 1211 N LYS A 78 2.068 4.954 3.900 1.00 0.82 N ATOM 1212 CA LYS A 78 1.352 5.647 4.974 1.00 1.02 C ATOM 1213 C LYS A 78 -0.020 6.188 4.513 1.00 0.86 C ATOM 1214 O LYS A 78 -0.140 6.614 3.365 1.00 0.78 O ATOM 1215 CB LYS A 78 2.268 6.748 5.553 1.00 1.38 C ATOM 1216 CG LYS A 78 2.741 7.812 4.542 1.00 1.17 C ATOM 1217 CD LYS A 78 3.855 8.704 5.128 1.00 1.65 C ATOM 1218 CE LYS A 78 5.240 8.485 4.490 1.00 2.16 C ATOM 1219 NZ LYS A 78 5.809 7.137 4.734 1.00 3.09 N ATOM 0 H LYS A 78 2.701 5.568 3.388 1.00 0.82 H new ATOM 0 HA LYS A 78 1.118 4.936 5.766 1.00 1.02 H new ATOM 0 HB2 LYS A 78 1.738 7.250 6.362 1.00 1.38 H new ATOM 0 HB3 LYS A 78 3.145 6.273 5.993 1.00 1.38 H new ATOM 0 HG2 LYS A 78 3.106 7.320 3.640 1.00 1.17 H new ATOM 0 HG3 LYS A 78 1.896 8.433 4.246 1.00 1.17 H new ATOM 0 HD2 LYS A 78 3.571 9.749 5.004 1.00 1.65 H new ATOM 0 HD3 LYS A 78 3.928 8.519 6.200 1.00 1.65 H new ATOM 0 HE2 LYS A 78 5.163 8.647 3.415 1.00 2.16 H new ATOM 0 HE3 LYS A 78 5.930 9.235 4.877 1.00 2.16 H new ATOM 0 HZ1 LYS A 78 6.747 7.070 4.290 1.00 3.09 H new ATOM 0 HZ2 LYS A 78 5.899 6.978 5.758 1.00 3.09 H new ATOM 0 HZ3 LYS A 78 5.181 6.416 4.326 1.00 3.09 H new ATOM 1233 N PRO A 79 -1.031 6.265 5.408 1.00 1.05 N ATOM 1234 CA PRO A 79 -2.364 6.763 5.071 1.00 1.19 C ATOM 1235 C PRO A 79 -2.384 8.231 4.639 1.00 1.15 C ATOM 1236 O PRO A 79 -3.259 8.605 3.868 1.00 1.99 O ATOM 1237 CB PRO A 79 -3.231 6.516 6.309 1.00 1.53 C ATOM 1238 CG PRO A 79 -2.216 6.535 7.447 1.00 1.51 C ATOM 1239 CD PRO A 79 -1.000 5.865 6.808 1.00 1.36 C ATOM 0 HA PRO A 79 -2.748 6.235 4.198 1.00 1.19 H new ATOM 0 HB2 PRO A 79 -3.989 7.289 6.432 1.00 1.53 H new ATOM 0 HB3 PRO A 79 -3.755 5.562 6.251 1.00 1.53 H new ATOM 0 HG2 PRO A 79 -1.995 7.550 7.778 1.00 1.51 H new ATOM 0 HG3 PRO A 79 -2.572 5.986 8.319 1.00 1.51 H new ATOM 0 HD2 PRO A 79 -0.076 6.187 7.288 1.00 1.36 H new ATOM 0 HD3 PRO A 79 -1.051 4.781 6.908 1.00 1.36 H new ATOM 1247 N GLY A 80 -1.403 9.042 5.050 1.00 1.13 N ATOM 1248 CA GLY A 80 -1.219 10.409 4.537 1.00 1.30 C ATOM 1249 C GLY A 80 -0.518 10.478 3.173 1.00 1.06 C ATOM 1250 O GLY A 80 0.093 11.501 2.869 1.00 1.63 O ATOM 0 H GLY A 80 -0.712 8.771 5.749 1.00 1.13 H new ATOM 0 HA2 GLY A 80 -2.194 10.890 4.457 1.00 1.30 H new ATOM 0 HA3 GLY A 80 -0.639 10.982 5.261 1.00 1.30 H new ATOM 1254 N GLY A 81 -0.533 9.398 2.380 1.00 0.68 N ATOM 1255 CA GLY A 81 0.188 9.297 1.105 1.00 0.69 C ATOM 1256 C GLY A 81 0.136 7.915 0.450 1.00 0.90 C ATOM 1257 O GLY A 81 -0.926 7.442 0.049 1.00 1.87 O ATOM 0 H GLY A 81 -1.057 8.554 2.612 1.00 0.68 H new ATOM 0 HA2 GLY A 81 -0.224 10.029 0.411 1.00 0.69 H new ATOM 0 HA3 GLY A 81 1.231 9.567 1.270 1.00 0.69 H new ATOM 1261 N TYR A 82 1.293 7.275 0.270 1.00 0.55 N ATOM 1262 CA TYR A 82 1.400 6.125 -0.636 1.00 0.52 C ATOM 1263 C TYR A 82 0.719 4.879 -0.082 1.00 0.55 C ATOM 1264 O TYR A 82 0.768 4.598 1.107 1.00 0.66 O ATOM 1265 CB TYR A 82 2.864 5.791 -0.921 1.00 0.57 C ATOM 1266 CG TYR A 82 3.583 6.851 -1.717 1.00 0.56 C ATOM 1267 CD1 TYR A 82 3.439 6.869 -3.115 1.00 1.82 C ATOM 1268 CD2 TYR A 82 4.378 7.819 -1.076 1.00 1.66 C ATOM 1269 CE1 TYR A 82 4.097 7.845 -3.878 1.00 1.87 C ATOM 1270 CE2 TYR A 82 5.029 8.808 -1.838 1.00 1.66 C ATOM 1271 CZ TYR A 82 4.890 8.826 -3.245 1.00 0.68 C ATOM 1272 OH TYR A 82 5.519 9.782 -3.980 1.00 0.81 O ATOM 0 H TYR A 82 2.164 7.529 0.735 1.00 0.55 H new ATOM 0 HA TYR A 82 0.893 6.417 -1.555 1.00 0.52 H new ATOM 0 HB2 TYR A 82 3.385 5.644 0.025 1.00 0.57 H new ATOM 0 HB3 TYR A 82 2.913 4.846 -1.463 1.00 0.57 H new ATOM 0 HD1 TYR A 82 2.821 6.130 -3.603 1.00 1.82 H new ATOM 0 HD2 TYR A 82 4.489 7.803 -0.002 1.00 1.66 H new ATOM 0 HE1 TYR A 82 3.996 7.846 -4.953 1.00 1.87 H new ATOM 0 HE2 TYR A 82 5.636 9.554 -1.347 1.00 1.66 H new ATOM 0 HH TYR A 82 6.021 10.376 -3.383 1.00 0.81 H new ATOM 1282 N HIS A 83 0.054 4.144 -0.964 1.00 0.49 N ATOM 1283 CA HIS A 83 -0.770 2.984 -0.615 1.00 0.48 C ATOM 1284 C HIS A 83 -1.063 2.092 -1.830 1.00 0.44 C ATOM 1285 O HIS A 83 -1.098 2.576 -2.963 1.00 0.47 O ATOM 1286 CB HIS A 83 -2.054 3.454 0.072 1.00 0.51 C ATOM 1287 CG HIS A 83 -2.962 4.246 -0.818 1.00 0.48 C ATOM 1288 ND1 HIS A 83 -2.837 5.581 -1.125 1.00 0.47 N ATOM 1289 CD2 HIS A 83 -3.973 3.733 -1.582 1.00 0.50 C ATOM 1290 CE1 HIS A 83 -3.727 5.855 -2.091 1.00 0.48 C ATOM 1291 NE2 HIS A 83 -4.454 4.769 -2.374 1.00 0.50 N ATOM 0 H HIS A 83 0.070 4.338 -1.965 1.00 0.49 H new ATOM 0 HA HIS A 83 -0.209 2.362 0.082 1.00 0.48 H new ATOM 0 HB2 HIS A 83 -2.595 2.584 0.445 1.00 0.51 H new ATOM 0 HB3 HIS A 83 -1.790 4.061 0.938 1.00 0.51 H new ATOM 0 HD1 HIS A 83 -2.188 6.241 -0.697 1.00 0.47 H new ATOM 0 HD2 HIS A 83 -4.331 2.714 -1.572 1.00 0.50 H new ATOM 0 HE1 HIS A 83 -3.840 6.816 -2.571 1.00 0.48 H new ATOM 1299 N PHE A 84 -1.360 0.812 -1.602 1.00 0.43 N ATOM 1300 CA PHE A 84 -1.955 -0.028 -2.644 1.00 0.44 C ATOM 1301 C PHE A 84 -3.468 0.195 -2.682 1.00 0.42 C ATOM 1302 O PHE A 84 -4.107 0.277 -1.636 1.00 0.47 O ATOM 1303 CB PHE A 84 -1.643 -1.509 -2.398 1.00 0.50 C ATOM 1304 CG PHE A 84 -0.191 -1.858 -2.623 1.00 0.54 C ATOM 1305 CD1 PHE A 84 0.350 -1.785 -3.921 1.00 1.48 C ATOM 1306 CD2 PHE A 84 0.625 -2.219 -1.537 1.00 1.58 C ATOM 1307 CE1 PHE A 84 1.717 -2.022 -4.124 1.00 1.51 C ATOM 1308 CE2 PHE A 84 1.992 -2.464 -1.743 1.00 1.59 C ATOM 1309 CZ PHE A 84 2.539 -2.321 -3.027 1.00 0.67 C ATOM 0 H PHE A 84 -1.200 0.337 -0.714 1.00 0.43 H new ATOM 0 HA PHE A 84 -1.524 0.252 -3.605 1.00 0.44 H new ATOM 0 HB2 PHE A 84 -1.917 -1.766 -1.375 1.00 0.50 H new ATOM 0 HB3 PHE A 84 -2.262 -2.118 -3.056 1.00 0.50 H new ATOM 0 HD1 PHE A 84 -0.288 -1.547 -4.760 1.00 1.48 H new ATOM 0 HD2 PHE A 84 0.202 -2.308 -0.547 1.00 1.58 H new ATOM 0 HE1 PHE A 84 2.135 -1.975 -5.119 1.00 1.51 H new ATOM 0 HE2 PHE A 84 2.620 -2.761 -0.916 1.00 1.59 H new ATOM 0 HZ PHE A 84 3.602 -2.442 -3.172 1.00 0.67 H new ATOM 1319 N MET A 85 -4.064 0.237 -3.870 1.00 0.40 N ATOM 1320 CA MET A 85 -5.504 0.047 -4.079 1.00 0.42 C ATOM 1321 C MET A 85 -5.766 -1.425 -4.382 1.00 0.42 C ATOM 1322 O MET A 85 -5.089 -2.004 -5.231 1.00 0.46 O ATOM 1323 CB MET A 85 -6.013 0.901 -5.241 1.00 0.50 C ATOM 1324 CG MET A 85 -7.390 1.500 -4.923 1.00 0.62 C ATOM 1325 SD MET A 85 -7.347 2.795 -3.640 1.00 0.54 S ATOM 1326 CE MET A 85 -9.117 2.949 -3.260 1.00 0.48 C ATOM 0 H MET A 85 -3.552 0.407 -4.736 1.00 0.40 H new ATOM 0 HA MET A 85 -6.032 0.354 -3.176 1.00 0.42 H new ATOM 0 HB2 MET A 85 -5.303 1.702 -5.446 1.00 0.50 H new ATOM 0 HB3 MET A 85 -6.077 0.293 -6.143 1.00 0.50 H new ATOM 0 HG2 MET A 85 -7.814 1.919 -5.836 1.00 0.62 H new ATOM 0 HG3 MET A 85 -8.058 0.702 -4.599 1.00 0.62 H new ATOM 0 HE1 MET A 85 -9.259 3.706 -2.489 1.00 0.48 H new ATOM 0 HE2 MET A 85 -9.658 3.242 -4.160 1.00 0.48 H new ATOM 0 HE3 MET A 85 -9.497 1.992 -2.903 1.00 0.48 H new ATOM 1336 N LEU A 86 -6.747 -2.015 -3.708 1.00 0.44 N ATOM 1337 CA LEU A 86 -7.175 -3.393 -3.928 1.00 0.44 C ATOM 1338 C LEU A 86 -8.570 -3.351 -4.559 1.00 0.48 C ATOM 1339 O LEU A 86 -9.474 -2.737 -3.996 1.00 0.59 O ATOM 1340 CB LEU A 86 -7.206 -4.137 -2.581 1.00 0.45 C ATOM 1341 CG LEU A 86 -5.847 -4.576 -1.993 1.00 0.45 C ATOM 1342 CD1 LEU A 86 -4.868 -3.436 -1.666 1.00 0.48 C ATOM 1343 CD2 LEU A 86 -6.134 -5.340 -0.693 1.00 0.51 C ATOM 0 H LEU A 86 -7.278 -1.540 -2.978 1.00 0.44 H new ATOM 0 HA LEU A 86 -6.487 -3.919 -4.590 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -7.700 -3.496 -1.851 1.00 0.45 H new ATOM 0 HB3 LEU A 86 -7.827 -5.025 -2.698 1.00 0.45 H new ATOM 0 HG LEU A 86 -5.359 -5.174 -2.763 1.00 0.45 H new ATOM 0 HD11 LEU A 86 -3.947 -3.853 -1.259 1.00 0.48 H new ATOM 0 HD12 LEU A 86 -4.643 -2.877 -2.575 1.00 0.48 H new ATOM 0 HD13 LEU A 86 -5.319 -2.768 -0.932 1.00 0.48 H new ATOM 0 HD21 LEU A 86 -5.194 -5.667 -0.248 1.00 0.51 H new ATOM 0 HD22 LEU A 86 -6.658 -4.687 0.005 1.00 0.51 H new ATOM 0 HD23 LEU A 86 -6.754 -6.210 -0.911 1.00 0.51 H new ATOM 1355 N LEU A 87 -8.768 -3.994 -5.714 1.00 0.50 N ATOM 1356 CA LEU A 87 -10.064 -4.032 -6.404 1.00 0.62 C ATOM 1357 C LEU A 87 -10.421 -5.470 -6.788 1.00 0.61 C ATOM 1358 O LEU A 87 -9.547 -6.256 -7.151 1.00 0.66 O ATOM 1359 CB LEU A 87 -10.088 -3.105 -7.641 1.00 0.93 C ATOM 1360 CG LEU A 87 -9.548 -1.668 -7.451 1.00 1.12 C ATOM 1361 CD1 LEU A 87 -8.039 -1.561 -7.744 1.00 1.60 C ATOM 1362 CD2 LEU A 87 -10.286 -0.708 -8.396 1.00 1.86 C ATOM 0 H LEU A 87 -8.031 -4.505 -6.200 1.00 0.50 H new ATOM 0 HA LEU A 87 -10.819 -3.658 -5.712 1.00 0.62 H new ATOM 0 HB2 LEU A 87 -9.511 -3.582 -8.433 1.00 0.93 H new ATOM 0 HB3 LEU A 87 -11.117 -3.037 -7.993 1.00 0.93 H new ATOM 0 HG LEU A 87 -9.716 -1.404 -6.407 1.00 1.12 H new ATOM 0 HD11 LEU A 87 -7.712 -0.532 -7.596 1.00 1.60 H new ATOM 0 HD12 LEU A 87 -7.490 -2.217 -7.069 1.00 1.60 H new ATOM 0 HD13 LEU A 87 -7.847 -1.858 -8.775 1.00 1.60 H new ATOM 0 HD21 LEU A 87 -9.903 0.303 -8.259 1.00 1.86 H new ATOM 0 HD22 LEU A 87 -10.127 -1.020 -9.428 1.00 1.86 H new ATOM 0 HD23 LEU A 87 -11.353 -0.725 -8.172 1.00 1.86 H new ATOM 1374 N GLY A 88 -11.704 -5.832 -6.695 1.00 0.63 N ATOM 1375 CA GLY A 88 -12.194 -7.200 -6.919 1.00 0.67 C ATOM 1376 C GLY A 88 -11.930 -8.131 -5.732 1.00 0.72 C ATOM 1377 O GLY A 88 -11.444 -9.242 -5.924 1.00 0.85 O ATOM 0 H GLY A 88 -12.446 -5.173 -6.458 1.00 0.63 H new ATOM 0 HA2 GLY A 88 -13.265 -7.168 -7.118 1.00 0.67 H new ATOM 0 HA3 GLY A 88 -11.716 -7.610 -7.809 1.00 0.67 H new ATOM 1381 N LEU A 89 -12.167 -7.651 -4.505 1.00 0.74 N ATOM 1382 CA LEU A 89 -11.937 -8.389 -3.259 1.00 0.77 C ATOM 1383 C LEU A 89 -12.658 -9.730 -3.129 1.00 0.86 C ATOM 1384 O LEU A 89 -13.685 -10.006 -3.742 1.00 1.04 O ATOM 1385 CB LEU A 89 -12.102 -7.491 -2.015 1.00 0.82 C ATOM 1386 CG LEU A 89 -13.397 -6.654 -1.888 1.00 0.94 C ATOM 1387 CD1 LEU A 89 -14.654 -7.533 -1.802 1.00 1.38 C ATOM 1388 CD2 LEU A 89 -13.299 -5.757 -0.646 1.00 1.35 C ATOM 0 H LEU A 89 -12.534 -6.712 -4.348 1.00 0.74 H new ATOM 0 HA LEU A 89 -10.890 -8.685 -3.318 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -12.028 -8.127 -1.133 1.00 0.82 H new ATOM 0 HB3 LEU A 89 -11.256 -6.804 -1.985 1.00 0.82 H new ATOM 0 HG LEU A 89 -13.492 -6.046 -2.788 1.00 0.94 H new ATOM 0 HD11 LEU A 89 -15.536 -6.899 -1.714 1.00 1.38 H new ATOM 0 HD12 LEU A 89 -14.734 -8.143 -2.702 1.00 1.38 H new ATOM 0 HD13 LEU A 89 -14.585 -8.182 -0.929 1.00 1.38 H new ATOM 0 HD21 LEU A 89 -14.209 -5.165 -0.552 1.00 1.35 H new ATOM 0 HD22 LEU A 89 -13.176 -6.377 0.242 1.00 1.35 H new ATOM 0 HD23 LEU A 89 -12.442 -5.091 -0.745 1.00 1.35 H new ATOM 1400 N LYS A 90 -12.049 -10.584 -2.305 1.00 0.94 N ATOM 1401 CA LYS A 90 -12.425 -12.002 -2.163 1.00 1.02 C ATOM 1402 C LYS A 90 -12.938 -12.354 -0.748 1.00 1.13 C ATOM 1403 O LYS A 90 -13.618 -13.358 -0.553 1.00 1.27 O ATOM 1404 CB LYS A 90 -11.237 -12.878 -2.572 1.00 0.99 C ATOM 1405 CG LYS A 90 -10.574 -12.501 -3.915 1.00 0.99 C ATOM 1406 CD LYS A 90 -11.472 -12.631 -5.152 1.00 1.41 C ATOM 1407 CE LYS A 90 -10.607 -12.402 -6.399 1.00 1.24 C ATOM 1408 NZ LYS A 90 -11.292 -12.787 -7.653 1.00 1.98 N ATOM 0 H LYS A 90 -11.269 -10.312 -1.707 1.00 0.94 H new ATOM 0 HA LYS A 90 -13.266 -12.198 -2.828 1.00 1.02 H new ATOM 0 HB2 LYS A 90 -10.483 -12.829 -1.787 1.00 0.99 H new ATOM 0 HB3 LYS A 90 -11.572 -13.914 -2.629 1.00 0.99 H new ATOM 0 HG2 LYS A 90 -10.221 -11.472 -3.850 1.00 0.99 H new ATOM 0 HG3 LYS A 90 -9.696 -13.131 -4.057 1.00 0.99 H new ATOM 0 HD2 LYS A 90 -11.933 -13.618 -5.185 1.00 1.41 H new ATOM 0 HD3 LYS A 90 -12.282 -11.902 -5.112 1.00 1.41 H new ATOM 0 HE2 LYS A 90 -10.326 -11.350 -6.452 1.00 1.24 H new ATOM 0 HE3 LYS A 90 -9.684 -12.974 -6.305 1.00 1.24 H new ATOM 0 HZ1 LYS A 90 -10.585 -13.069 -8.362 1.00 1.98 H new ATOM 0 HZ2 LYS A 90 -11.933 -13.584 -7.468 1.00 1.98 H new ATOM 0 HZ3 LYS A 90 -11.839 -11.979 -8.012 1.00 1.98 H new ATOM 1422 N ARG A 91 -12.655 -11.476 0.223 1.00 1.15 N ATOM 1423 CA ARG A 91 -13.408 -11.300 1.475 1.00 1.33 C ATOM 1424 C ARG A 91 -14.048 -9.904 1.389 1.00 1.20 C ATOM 1425 O ARG A 91 -13.282 -8.966 1.166 1.00 1.22 O ATOM 1426 CB ARG A 91 -12.474 -11.317 2.714 1.00 1.72 C ATOM 1427 CG ARG A 91 -11.788 -12.662 3.008 1.00 1.93 C ATOM 1428 CD ARG A 91 -10.704 -12.561 4.104 1.00 2.94 C ATOM 1429 NE ARG A 91 -11.216 -12.744 5.479 1.00 3.77 N ATOM 1430 CZ ARG A 91 -10.598 -13.407 6.455 1.00 4.55 C ATOM 1431 NH1 ARG A 91 -9.375 -13.879 6.360 1.00 5.06 N ATOM 1432 NH2 ARG A 91 -11.201 -13.607 7.598 1.00 5.43 N ATOM 0 H ARG A 91 -11.860 -10.840 0.156 1.00 1.15 H new ATOM 0 HA ARG A 91 -14.132 -12.107 1.587 1.00 1.33 H new ATOM 0 HB2 ARG A 91 -11.703 -10.558 2.577 1.00 1.72 H new ATOM 0 HB3 ARG A 91 -13.055 -11.026 3.589 1.00 1.72 H new ATOM 0 HG2 ARG A 91 -12.541 -13.388 3.315 1.00 1.93 H new ATOM 0 HG3 ARG A 91 -11.336 -13.041 2.091 1.00 1.93 H new ATOM 0 HD2 ARG A 91 -9.937 -13.311 3.911 1.00 2.94 H new ATOM 0 HD3 ARG A 91 -10.222 -11.586 4.034 1.00 2.94 H new ATOM 0 HE ARG A 91 -12.120 -12.327 5.699 1.00 3.77 H new ATOM 0 HH11 ARG A 91 -8.842 -13.746 5.501 1.00 5.06 H new ATOM 0 HH12 ARG A 91 -8.959 -14.379 7.146 1.00 5.06 H new ATOM 0 HH21 ARG A 91 -12.147 -13.255 7.744 1.00 5.43 H new ATOM 0 HH22 ARG A 91 -10.725 -14.115 8.344 1.00 5.43 H new ATOM 1446 N PRO A 92 -15.370 -9.719 1.584 1.00 1.36 N ATOM 1447 CA PRO A 92 -15.900 -8.418 1.970 1.00 1.54 C ATOM 1448 C PRO A 92 -15.355 -8.159 3.374 1.00 1.64 C ATOM 1449 O PRO A 92 -15.668 -8.902 4.311 1.00 2.22 O ATOM 1450 CB PRO A 92 -17.423 -8.551 1.902 1.00 1.96 C ATOM 1451 CG PRO A 92 -17.670 -10.042 2.150 1.00 2.08 C ATOM 1452 CD PRO A 92 -16.413 -10.732 1.610 1.00 1.63 C ATOM 0 HA PRO A 92 -15.615 -7.577 1.338 1.00 1.54 H new ATOM 0 HB2 PRO A 92 -17.913 -7.934 2.655 1.00 1.96 H new ATOM 0 HB3 PRO A 92 -17.809 -8.237 0.932 1.00 1.96 H new ATOM 0 HG2 PRO A 92 -17.813 -10.250 3.210 1.00 2.08 H new ATOM 0 HG3 PRO A 92 -18.566 -10.388 1.634 1.00 2.08 H new ATOM 0 HD2 PRO A 92 -16.126 -11.569 2.246 1.00 1.63 H new ATOM 0 HD3 PRO A 92 -16.589 -11.135 0.612 1.00 1.63 H new ATOM 1460 N LEU A 93 -14.432 -7.197 3.488 1.00 1.41 N ATOM 1461 CA LEU A 93 -13.472 -7.123 4.561 1.00 1.31 C ATOM 1462 C LEU A 93 -13.700 -5.896 5.432 1.00 1.57 C ATOM 1463 O LEU A 93 -14.224 -4.854 5.044 1.00 2.00 O ATOM 1464 CB LEU A 93 -12.027 -7.349 4.064 1.00 1.53 C ATOM 1465 CG LEU A 93 -11.498 -6.534 2.867 1.00 1.29 C ATOM 1466 CD1 LEU A 93 -11.515 -5.022 3.092 1.00 2.05 C ATOM 1467 CD2 LEU A 93 -10.064 -6.983 2.564 1.00 1.98 C ATOM 0 H LEU A 93 -14.342 -6.437 2.814 1.00 1.41 H new ATOM 0 HA LEU A 93 -13.637 -7.960 5.240 1.00 1.31 H new ATOM 0 HB2 LEU A 93 -11.360 -7.163 4.906 1.00 1.53 H new ATOM 0 HB3 LEU A 93 -11.931 -8.404 3.808 1.00 1.53 H new ATOM 0 HG LEU A 93 -12.168 -6.727 2.030 1.00 1.29 H new ATOM 0 HD11 LEU A 93 -11.128 -4.518 2.206 1.00 2.05 H new ATOM 0 HD12 LEU A 93 -12.537 -4.693 3.279 1.00 2.05 H new ATOM 0 HD13 LEU A 93 -10.891 -4.775 3.951 1.00 2.05 H new ATOM 0 HD21 LEU A 93 -9.676 -6.415 1.719 1.00 1.98 H new ATOM 0 HD22 LEU A 93 -9.436 -6.809 3.438 1.00 1.98 H new ATOM 0 HD23 LEU A 93 -10.059 -8.045 2.320 1.00 1.98 H new ATOM 1479 N LYS A 94 -13.384 -6.126 6.686 1.00 1.61 N ATOM 1480 CA LYS A 94 -13.998 -5.453 7.830 1.00 1.66 C ATOM 1481 C LYS A 94 -13.101 -5.456 9.073 1.00 1.14 C ATOM 1482 O LYS A 94 -12.126 -6.202 9.160 1.00 1.40 O ATOM 1483 CB LYS A 94 -15.377 -6.091 8.110 1.00 2.15 C ATOM 1484 CG LYS A 94 -15.314 -7.616 7.931 1.00 2.02 C ATOM 1485 CD LYS A 94 -16.546 -8.380 8.400 1.00 2.30 C ATOM 1486 CE LYS A 94 -16.969 -9.446 7.365 1.00 3.35 C ATOM 1487 NZ LYS A 94 -15.860 -10.343 6.936 1.00 3.83 N ATOM 0 H LYS A 94 -12.673 -6.805 6.956 1.00 1.61 H new ATOM 0 HA LYS A 94 -14.133 -4.401 7.578 1.00 1.66 H new ATOM 0 HB2 LYS A 94 -15.695 -5.851 9.125 1.00 2.15 H new ATOM 0 HB3 LYS A 94 -16.122 -5.671 7.435 1.00 2.15 H new ATOM 0 HG2 LYS A 94 -15.152 -7.835 6.876 1.00 2.02 H new ATOM 0 HG3 LYS A 94 -14.446 -7.993 8.472 1.00 2.02 H new ATOM 0 HD2 LYS A 94 -16.337 -8.860 9.356 1.00 2.30 H new ATOM 0 HD3 LYS A 94 -17.368 -7.684 8.566 1.00 2.30 H new ATOM 0 HE2 LYS A 94 -17.770 -10.052 7.788 1.00 3.35 H new ATOM 0 HE3 LYS A 94 -17.378 -8.945 6.488 1.00 3.35 H new ATOM 0 HZ1 LYS A 94 -16.192 -10.963 6.170 1.00 3.83 H new ATOM 0 HZ2 LYS A 94 -15.062 -9.770 6.596 1.00 3.83 H new ATOM 0 HZ3 LYS A 94 -15.551 -10.923 7.742 1.00 3.83 H new ATOM 1501 N ALA A 95 -13.457 -4.626 10.052 1.00 1.05 N ATOM 1502 CA ALA A 95 -12.679 -4.414 11.261 1.00 1.00 C ATOM 1503 C ALA A 95 -12.486 -5.747 11.989 1.00 0.89 C ATOM 1504 O ALA A 95 -13.441 -6.481 12.244 1.00 1.01 O ATOM 1505 CB ALA A 95 -13.362 -3.355 12.132 1.00 1.19 C ATOM 0 H ALA A 95 -14.313 -4.073 10.022 1.00 1.05 H new ATOM 0 HA ALA A 95 -11.687 -4.037 11.015 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -12.777 -3.197 13.038 1.00 1.19 H new ATOM 0 HB2 ALA A 95 -13.433 -2.419 11.578 1.00 1.19 H new ATOM 0 HB3 ALA A 95 -14.362 -3.694 12.400 1.00 1.19 H new ATOM 1511 N GLY A 96 -11.224 -6.057 12.259 1.00 0.85 N ATOM 1512 CA GLY A 96 -10.788 -7.258 12.976 1.00 0.92 C ATOM 1513 C GLY A 96 -10.455 -8.468 12.100 1.00 0.94 C ATOM 1514 O GLY A 96 -10.090 -9.494 12.661 1.00 1.26 O ATOM 0 H GLY A 96 -10.446 -5.461 11.977 1.00 0.85 H new ATOM 0 HA2 GLY A 96 -9.907 -7.007 13.567 1.00 0.92 H new ATOM 0 HA3 GLY A 96 -11.571 -7.545 13.678 1.00 0.92 H new ATOM 1518 N GLU A 97 -10.550 -8.384 10.766 1.00 0.93 N ATOM 1519 CA GLU A 97 -10.030 -9.437 9.876 1.00 0.99 C ATOM 1520 C GLU A 97 -8.504 -9.338 9.670 1.00 0.92 C ATOM 1521 O GLU A 97 -7.801 -8.639 10.397 1.00 0.81 O ATOM 1522 CB GLU A 97 -10.841 -9.496 8.564 1.00 1.07 C ATOM 1523 CG GLU A 97 -12.161 -10.235 8.805 1.00 1.19 C ATOM 1524 CD GLU A 97 -12.921 -10.535 7.516 1.00 1.24 C ATOM 1525 OE1 GLU A 97 -13.239 -9.591 6.767 1.00 2.23 O ATOM 1526 OE2 GLU A 97 -13.326 -11.701 7.300 1.00 1.92 O ATOM 0 H GLU A 97 -10.981 -7.599 10.278 1.00 0.93 H new ATOM 0 HA GLU A 97 -10.174 -10.399 10.369 1.00 0.99 H new ATOM 0 HB2 GLU A 97 -11.039 -8.487 8.202 1.00 1.07 H new ATOM 0 HB3 GLU A 97 -10.264 -10.005 7.791 1.00 1.07 H new ATOM 0 HG2 GLU A 97 -11.957 -11.170 9.326 1.00 1.19 H new ATOM 0 HG3 GLU A 97 -12.792 -9.635 9.461 1.00 1.19 H new ATOM 1533 N GLU A 98 -7.995 -10.085 8.694 1.00 1.14 N ATOM 1534 CA GLU A 98 -6.682 -10.702 8.600 1.00 1.16 C ATOM 1535 C GLU A 98 -6.438 -10.958 7.106 1.00 1.05 C ATOM 1536 O GLU A 98 -7.252 -11.613 6.448 1.00 1.35 O ATOM 1537 CB GLU A 98 -6.658 -12.038 9.388 1.00 1.99 C ATOM 1538 CG GLU A 98 -8.034 -12.744 9.491 1.00 3.28 C ATOM 1539 CD GLU A 98 -8.005 -14.266 9.446 1.00 4.48 C ATOM 1540 OE1 GLU A 98 -7.005 -14.872 9.876 1.00 4.64 O ATOM 1541 OE2 GLU A 98 -9.004 -14.804 8.906 1.00 5.77 O ATOM 0 H GLU A 98 -8.553 -10.292 7.866 1.00 1.14 H new ATOM 0 HA GLU A 98 -5.909 -10.062 9.025 1.00 1.16 H new ATOM 0 HB2 GLU A 98 -5.950 -12.715 8.910 1.00 1.99 H new ATOM 0 HB3 GLU A 98 -6.285 -11.846 10.394 1.00 1.99 H new ATOM 0 HG2 GLU A 98 -8.510 -12.436 10.422 1.00 3.28 H new ATOM 0 HG3 GLU A 98 -8.666 -12.388 8.677 1.00 3.28 H new ATOM 1548 N VAL A 99 -5.363 -10.397 6.554 1.00 0.80 N ATOM 1549 CA VAL A 99 -5.082 -10.371 5.107 1.00 0.72 C ATOM 1550 C VAL A 99 -3.573 -10.391 4.821 1.00 0.65 C ATOM 1551 O VAL A 99 -2.821 -9.597 5.383 1.00 0.69 O ATOM 1552 CB VAL A 99 -5.731 -9.117 4.461 1.00 0.74 C ATOM 1553 CG1 VAL A 99 -5.230 -8.899 3.023 1.00 0.97 C ATOM 1554 CG2 VAL A 99 -7.269 -9.212 4.423 1.00 0.89 C ATOM 0 H VAL A 99 -4.642 -9.935 7.108 1.00 0.80 H new ATOM 0 HA VAL A 99 -5.515 -11.270 4.668 1.00 0.72 H new ATOM 0 HB VAL A 99 -5.437 -8.276 5.089 1.00 0.74 H new ATOM 0 HG11 VAL A 99 -5.705 -8.013 2.603 1.00 0.97 H new ATOM 0 HG12 VAL A 99 -4.149 -8.761 3.031 1.00 0.97 H new ATOM 0 HG13 VAL A 99 -5.480 -9.768 2.415 1.00 0.97 H new ATOM 0 HG21 VAL A 99 -7.678 -8.312 3.963 1.00 0.89 H new ATOM 0 HG22 VAL A 99 -7.565 -10.084 3.841 1.00 0.89 H new ATOM 0 HG23 VAL A 99 -7.653 -9.306 5.439 1.00 0.89 H new ATOM 1564 N GLU A 100 -3.147 -11.247 3.882 1.00 0.71 N ATOM 1565 CA GLU A 100 -1.791 -11.201 3.329 1.00 0.74 C ATOM 1566 C GLU A 100 -1.632 -10.097 2.271 1.00 0.66 C ATOM 1567 O GLU A 100 -2.507 -9.903 1.414 1.00 0.73 O ATOM 1568 CB GLU A 100 -1.405 -12.496 2.604 1.00 1.20 C ATOM 1569 CG GLU A 100 -1.471 -13.824 3.359 1.00 1.32 C ATOM 1570 CD GLU A 100 -0.775 -14.877 2.493 1.00 1.49 C ATOM 1571 OE1 GLU A 100 -1.120 -14.984 1.295 1.00 2.51 O ATOM 1572 OE2 GLU A 100 0.244 -15.448 2.931 1.00 1.88 O ATOM 0 H GLU A 100 -3.730 -11.985 3.488 1.00 0.71 H new ATOM 0 HA GLU A 100 -1.158 -11.026 4.199 1.00 0.74 H new ATOM 0 HB2 GLU A 100 -2.047 -12.585 1.728 1.00 1.20 H new ATOM 0 HB3 GLU A 100 -0.384 -12.376 2.240 1.00 1.20 H new ATOM 0 HG2 GLU A 100 -0.981 -13.739 4.329 1.00 1.32 H new ATOM 0 HG3 GLU A 100 -2.506 -14.107 3.549 1.00 1.32 H new ATOM 1579 N LEU A 101 -0.442 -9.487 2.250 1.00 0.66 N ATOM 1580 CA LEU A 101 0.118 -8.853 1.055 1.00 0.61 C ATOM 1581 C LEU A 101 1.458 -9.504 0.678 1.00 0.54 C ATOM 1582 O LEU A 101 2.287 -9.832 1.534 1.00 0.62 O ATOM 1583 CB LEU A 101 0.268 -7.322 1.215 1.00 0.67 C ATOM 1584 CG LEU A 101 -0.890 -6.514 0.585 1.00 0.91 C ATOM 1585 CD1 LEU A 101 -2.112 -6.416 1.507 1.00 1.60 C ATOM 1586 CD2 LEU A 101 -0.439 -5.089 0.239 1.00 1.60 C ATOM 0 H LEU A 101 0.163 -9.420 3.069 1.00 0.66 H new ATOM 0 HA LEU A 101 -0.589 -9.014 0.242 1.00 0.61 H new ATOM 0 HB2 LEU A 101 0.332 -7.081 2.276 1.00 0.67 H new ATOM 0 HB3 LEU A 101 1.208 -7.008 0.760 1.00 0.67 H new ATOM 0 HG LEU A 101 -1.174 -7.056 -0.317 1.00 0.91 H new ATOM 0 HD11 LEU A 101 -2.894 -5.838 1.014 1.00 1.60 H new ATOM 0 HD12 LEU A 101 -2.484 -7.417 1.726 1.00 1.60 H new ATOM 0 HD13 LEU A 101 -1.828 -5.923 2.437 1.00 1.60 H new ATOM 0 HD21 LEU A 101 -1.271 -4.541 -0.203 1.00 1.60 H new ATOM 0 HD22 LEU A 101 -0.111 -4.581 1.146 1.00 1.60 H new ATOM 0 HD23 LEU A 101 0.386 -5.131 -0.472 1.00 1.60 H new ATOM 1598 N ASP A 102 1.639 -9.621 -0.633 1.00 0.56 N ATOM 1599 CA ASP A 102 2.866 -9.934 -1.378 1.00 0.58 C ATOM 1600 C ASP A 102 3.366 -8.625 -2.017 1.00 0.60 C ATOM 1601 O ASP A 102 2.550 -7.888 -2.575 1.00 0.74 O ATOM 1602 CB ASP A 102 2.483 -10.893 -2.520 1.00 0.75 C ATOM 1603 CG ASP A 102 2.164 -12.340 -2.138 1.00 1.13 C ATOM 1604 OD1 ASP A 102 2.692 -12.832 -1.120 1.00 1.86 O ATOM 1605 OD2 ASP A 102 1.381 -12.968 -2.894 1.00 1.99 O ATOM 0 H ASP A 102 0.854 -9.486 -1.270 1.00 0.56 H new ATOM 0 HA ASP A 102 3.624 -10.373 -0.730 1.00 0.58 H new ATOM 0 HB2 ASP A 102 1.614 -10.479 -3.032 1.00 0.75 H new ATOM 0 HB3 ASP A 102 3.301 -10.906 -3.240 1.00 0.75 H new ATOM 1610 N LEU A 103 4.667 -8.305 -1.983 1.00 0.61 N ATOM 1611 CA LEU A 103 5.196 -7.023 -2.429 1.00 0.62 C ATOM 1612 C LEU A 103 6.332 -7.274 -3.421 1.00 0.59 C ATOM 1613 O LEU A 103 7.403 -7.760 -3.055 1.00 0.98 O ATOM 1614 CB LEU A 103 5.644 -6.220 -1.200 1.00 0.92 C ATOM 1615 CG LEU A 103 4.493 -5.912 -0.218 1.00 1.20 C ATOM 1616 CD1 LEU A 103 4.422 -6.911 0.944 1.00 0.81 C ATOM 1617 CD2 LEU A 103 4.678 -4.522 0.384 1.00 2.01 C ATOM 0 H LEU A 103 5.385 -8.942 -1.639 1.00 0.61 H new ATOM 0 HA LEU A 103 4.438 -6.435 -2.946 1.00 0.62 H new ATOM 0 HB2 LEU A 103 6.421 -6.776 -0.675 1.00 0.92 H new ATOM 0 HB3 LEU A 103 6.091 -5.282 -1.531 1.00 0.92 H new ATOM 0 HG LEU A 103 3.572 -5.980 -0.797 1.00 1.20 H new ATOM 0 HD11 LEU A 103 3.595 -6.645 1.602 1.00 0.81 H new ATOM 0 HD12 LEU A 103 4.265 -7.916 0.551 1.00 0.81 H new ATOM 0 HD13 LEU A 103 5.356 -6.883 1.506 1.00 0.81 H new ATOM 0 HD21 LEU A 103 3.862 -4.313 1.075 1.00 2.01 H new ATOM 0 HD22 LEU A 103 5.626 -4.481 0.920 1.00 2.01 H new ATOM 0 HD23 LEU A 103 4.678 -3.778 -0.412 1.00 2.01 H new ATOM 1629 N LEU A 104 6.073 -6.959 -4.691 1.00 0.49 N ATOM 1630 CA LEU A 104 6.929 -7.289 -5.831 1.00 0.47 C ATOM 1631 C LEU A 104 8.091 -6.296 -5.900 1.00 0.48 C ATOM 1632 O LEU A 104 7.904 -5.105 -6.182 1.00 0.49 O ATOM 1633 CB LEU A 104 6.079 -7.298 -7.122 1.00 0.52 C ATOM 1634 CG LEU A 104 4.949 -8.353 -7.159 1.00 0.60 C ATOM 1635 CD1 LEU A 104 4.185 -8.263 -8.486 1.00 0.66 C ATOM 1636 CD2 LEU A 104 5.471 -9.788 -6.990 1.00 0.67 C ATOM 0 H LEU A 104 5.232 -6.449 -4.963 1.00 0.49 H new ATOM 0 HA LEU A 104 7.359 -8.284 -5.715 1.00 0.47 H new ATOM 0 HB2 LEU A 104 5.637 -6.310 -7.254 1.00 0.52 H new ATOM 0 HB3 LEU A 104 6.740 -7.467 -7.972 1.00 0.52 H new ATOM 0 HG LEU A 104 4.291 -8.131 -6.319 1.00 0.60 H new ATOM 0 HD11 LEU A 104 3.392 -9.011 -8.501 1.00 0.66 H new ATOM 0 HD12 LEU A 104 3.749 -7.269 -8.588 1.00 0.66 H new ATOM 0 HD13 LEU A 104 4.871 -8.445 -9.314 1.00 0.66 H new ATOM 0 HD21 LEU A 104 4.634 -10.486 -7.024 1.00 0.67 H new ATOM 0 HD22 LEU A 104 6.169 -10.019 -7.795 1.00 0.67 H new ATOM 0 HD23 LEU A 104 5.981 -9.879 -6.031 1.00 0.67 H new ATOM 1648 N PHE A 105 9.296 -6.791 -5.606 1.00 0.59 N ATOM 1649 CA PHE A 105 10.529 -6.011 -5.507 1.00 0.73 C ATOM 1650 C PHE A 105 11.405 -6.216 -6.764 1.00 0.84 C ATOM 1651 O PHE A 105 11.573 -7.333 -7.256 1.00 0.98 O ATOM 1652 CB PHE A 105 11.274 -6.407 -4.220 1.00 0.88 C ATOM 1653 CG PHE A 105 10.739 -5.948 -2.867 1.00 0.84 C ATOM 1654 CD1 PHE A 105 9.494 -5.306 -2.700 1.00 1.76 C ATOM 1655 CD2 PHE A 105 11.509 -6.225 -1.721 1.00 2.04 C ATOM 1656 CE1 PHE A 105 9.040 -4.965 -1.415 1.00 1.77 C ATOM 1657 CE2 PHE A 105 11.030 -5.933 -0.434 1.00 2.06 C ATOM 1658 CZ PHE A 105 9.791 -5.303 -0.283 1.00 0.92 C ATOM 0 H PHE A 105 9.443 -7.784 -5.424 1.00 0.59 H new ATOM 0 HA PHE A 105 10.290 -4.949 -5.456 1.00 0.73 H new ATOM 0 HB2 PHE A 105 11.329 -7.495 -4.197 1.00 0.88 H new ATOM 0 HB3 PHE A 105 12.296 -6.038 -4.308 1.00 0.88 H new ATOM 0 HD1 PHE A 105 8.887 -5.076 -3.563 1.00 1.76 H new ATOM 0 HD2 PHE A 105 12.486 -6.670 -1.834 1.00 2.04 H new ATOM 0 HE1 PHE A 105 8.104 -4.438 -1.300 1.00 1.77 H new ATOM 0 HE2 PHE A 105 11.616 -6.194 0.435 1.00 2.06 H new ATOM 0 HZ PHE A 105 9.415 -5.078 0.704 1.00 0.92 H new ATOM 1668 N ALA A 106 11.990 -5.135 -7.288 1.00 0.88 N ATOM 1669 CA ALA A 106 12.660 -5.109 -8.589 1.00 0.86 C ATOM 1670 C ALA A 106 13.860 -6.071 -8.692 1.00 1.47 C ATOM 1671 O ALA A 106 14.798 -6.025 -7.885 1.00 2.12 O ATOM 1672 CB ALA A 106 13.073 -3.670 -8.914 1.00 1.03 C ATOM 0 H ALA A 106 12.011 -4.235 -6.808 1.00 0.88 H new ATOM 0 HA ALA A 106 11.945 -5.469 -9.328 1.00 0.86 H new ATOM 0 HB1 ALA A 106 13.573 -3.645 -9.882 1.00 1.03 H new ATOM 0 HB2 ALA A 106 12.187 -3.036 -8.946 1.00 1.03 H new ATOM 0 HB3 ALA A 106 13.753 -3.304 -8.145 1.00 1.03 H new ATOM 1678 N GLY A 107 13.844 -6.912 -9.731 1.00 1.88 N ATOM 1679 CA GLY A 107 14.915 -7.858 -10.053 1.00 2.66 C ATOM 1680 C GLY A 107 14.852 -9.114 -9.186 1.00 2.48 C ATOM 1681 O GLY A 107 15.715 -9.299 -8.332 1.00 3.45 O ATOM 0 H GLY A 107 13.065 -6.954 -10.388 1.00 1.88 H new ATOM 0 HA2 GLY A 107 14.846 -8.139 -11.104 1.00 2.66 H new ATOM 0 HA3 GLY A 107 15.881 -7.372 -9.916 1.00 2.66 H new ATOM 1685 N GLY A 108 13.836 -9.955 -9.415 1.00 1.68 N ATOM 1686 CA GLY A 108 13.764 -11.330 -8.896 1.00 1.86 C ATOM 1687 C GLY A 108 13.441 -11.457 -7.408 1.00 1.61 C ATOM 1688 O GLY A 108 13.827 -12.449 -6.797 1.00 2.09 O ATOM 0 H GLY A 108 13.025 -9.696 -9.976 1.00 1.68 H new ATOM 0 HA2 GLY A 108 13.007 -11.874 -9.462 1.00 1.86 H new ATOM 0 HA3 GLY A 108 14.718 -11.822 -9.086 1.00 1.86 H new ATOM 1692 N LYS A 109 12.781 -10.469 -6.795 1.00 1.04 N ATOM 1693 CA LYS A 109 12.550 -10.425 -5.344 1.00 0.93 C ATOM 1694 C LYS A 109 11.069 -10.250 -4.995 1.00 0.80 C ATOM 1695 O LYS A 109 10.304 -9.636 -5.734 1.00 0.84 O ATOM 1696 CB LYS A 109 13.341 -9.249 -4.748 1.00 0.89 C ATOM 1697 CG LYS A 109 14.865 -9.370 -4.884 1.00 1.32 C ATOM 1698 CD LYS A 109 15.482 -7.975 -5.075 1.00 1.74 C ATOM 1699 CE LYS A 109 16.869 -8.054 -5.716 1.00 2.54 C ATOM 1700 NZ LYS A 109 17.157 -6.811 -6.471 1.00 3.47 N ATOM 0 H LYS A 109 12.388 -9.671 -7.294 1.00 1.04 H new ATOM 0 HA LYS A 109 12.881 -11.376 -4.928 1.00 0.93 H new ATOM 0 HB2 LYS A 109 13.018 -8.328 -5.233 1.00 0.89 H new ATOM 0 HB3 LYS A 109 13.090 -9.158 -3.691 1.00 0.89 H new ATOM 0 HG2 LYS A 109 15.282 -9.844 -3.996 1.00 1.32 H new ATOM 0 HG3 LYS A 109 15.114 -10.007 -5.732 1.00 1.32 H new ATOM 0 HD2 LYS A 109 14.826 -7.369 -5.700 1.00 1.74 H new ATOM 0 HD3 LYS A 109 15.555 -7.474 -4.110 1.00 1.74 H new ATOM 0 HE2 LYS A 109 17.625 -8.203 -4.946 1.00 2.54 H new ATOM 0 HE3 LYS A 109 16.920 -8.914 -6.384 1.00 2.54 H new ATOM 0 HZ1 LYS A 109 17.948 -6.978 -7.126 1.00 3.47 H new ATOM 0 HZ2 LYS A 109 16.314 -6.530 -7.011 1.00 3.47 H new ATOM 0 HZ3 LYS A 109 17.412 -6.052 -5.807 1.00 3.47 H new ATOM 1714 N VAL A 110 10.711 -10.689 -3.793 1.00 1.18 N ATOM 1715 CA VAL A 110 9.397 -10.474 -3.181 1.00 1.26 C ATOM 1716 C VAL A 110 9.505 -10.463 -1.655 1.00 1.45 C ATOM 1717 O VAL A 110 10.388 -11.119 -1.102 1.00 1.64 O ATOM 1718 CB VAL A 110 8.397 -11.545 -3.684 1.00 1.33 C ATOM 1719 CG1 VAL A 110 8.658 -12.946 -3.101 1.00 2.01 C ATOM 1720 CG2 VAL A 110 6.925 -11.160 -3.453 1.00 2.32 C ATOM 0 H VAL A 110 11.344 -11.221 -3.196 1.00 1.18 H new ATOM 0 HA VAL A 110 9.019 -9.497 -3.481 1.00 1.26 H new ATOM 0 HB VAL A 110 8.575 -11.585 -4.759 1.00 1.33 H new ATOM 0 HG11 VAL A 110 7.922 -13.647 -3.495 1.00 2.01 H new ATOM 0 HG12 VAL A 110 9.659 -13.276 -3.380 1.00 2.01 H new ATOM 0 HG13 VAL A 110 8.578 -12.909 -2.015 1.00 2.01 H new ATOM 0 HG21 VAL A 110 6.278 -11.953 -3.828 1.00 2.32 H new ATOM 0 HG22 VAL A 110 6.748 -11.022 -2.386 1.00 2.32 H new ATOM 0 HG23 VAL A 110 6.704 -10.232 -3.981 1.00 2.32 H new ATOM 1730 N LEU A 111 8.602 -9.734 -0.994 1.00 1.41 N ATOM 1731 CA LEU A 111 8.369 -9.790 0.452 1.00 1.47 C ATOM 1732 C LEU A 111 6.913 -10.197 0.729 1.00 0.97 C ATOM 1733 O LEU A 111 6.010 -9.752 0.027 1.00 0.91 O ATOM 1734 CB LEU A 111 8.709 -8.406 1.042 1.00 1.86 C ATOM 1735 CG LEU A 111 8.480 -8.243 2.559 1.00 2.41 C ATOM 1736 CD1 LEU A 111 9.372 -9.186 3.378 1.00 2.55 C ATOM 1737 CD2 LEU A 111 8.760 -6.788 2.960 1.00 3.13 C ATOM 0 H LEU A 111 7.993 -9.066 -1.466 1.00 1.41 H new ATOM 0 HA LEU A 111 9.003 -10.539 0.925 1.00 1.47 H new ATOM 0 HB2 LEU A 111 9.755 -8.188 0.827 1.00 1.86 H new ATOM 0 HB3 LEU A 111 8.114 -7.655 0.522 1.00 1.86 H new ATOM 0 HG LEU A 111 7.443 -8.502 2.773 1.00 2.41 H new ATOM 0 HD11 LEU A 111 9.179 -9.038 4.440 1.00 2.55 H new ATOM 0 HD12 LEU A 111 9.152 -10.219 3.109 1.00 2.55 H new ATOM 0 HD13 LEU A 111 10.419 -8.971 3.167 1.00 2.55 H new ATOM 0 HD21 LEU A 111 8.599 -6.669 4.031 1.00 3.13 H new ATOM 0 HD22 LEU A 111 9.792 -6.536 2.718 1.00 3.13 H new ATOM 0 HD23 LEU A 111 8.087 -6.125 2.416 1.00 3.13 H new ATOM 1749 N LYS A 112 6.676 -11.012 1.761 1.00 1.02 N ATOM 1750 CA LYS A 112 5.339 -11.335 2.279 1.00 0.88 C ATOM 1751 C LYS A 112 5.110 -10.618 3.625 1.00 0.94 C ATOM 1752 O LYS A 112 5.969 -10.675 4.505 1.00 1.25 O ATOM 1753 CB LYS A 112 5.234 -12.868 2.447 1.00 1.36 C ATOM 1754 CG LYS A 112 3.931 -13.375 3.100 1.00 1.62 C ATOM 1755 CD LYS A 112 2.712 -13.403 2.167 1.00 1.86 C ATOM 1756 CE LYS A 112 2.708 -14.697 1.337 1.00 1.45 C ATOM 1757 NZ LYS A 112 1.540 -14.768 0.432 1.00 2.20 N ATOM 0 H LYS A 112 7.425 -11.478 2.273 1.00 1.02 H new ATOM 0 HA LYS A 112 4.572 -10.995 1.583 1.00 0.88 H new ATOM 0 HB2 LYS A 112 5.333 -13.332 1.465 1.00 1.36 H new ATOM 0 HB3 LYS A 112 6.078 -13.209 3.047 1.00 1.36 H new ATOM 0 HG2 LYS A 112 4.101 -14.381 3.483 1.00 1.62 H new ATOM 0 HG3 LYS A 112 3.701 -12.742 3.957 1.00 1.62 H new ATOM 0 HD2 LYS A 112 1.795 -13.335 2.753 1.00 1.86 H new ATOM 0 HD3 LYS A 112 2.732 -12.538 1.505 1.00 1.86 H new ATOM 0 HE2 LYS A 112 3.625 -14.755 0.751 1.00 1.45 H new ATOM 0 HE3 LYS A 112 2.702 -15.557 2.006 1.00 1.45 H new ATOM 0 HZ1 LYS A 112 1.327 -15.763 0.218 1.00 2.20 H new ATOM 0 HZ2 LYS A 112 0.717 -14.329 0.892 1.00 2.20 H new ATOM 0 HZ3 LYS A 112 1.754 -14.262 -0.451 1.00 2.20 H new ATOM 1771 N VAL A 113 3.945 -9.994 3.810 1.00 0.80 N ATOM 1772 CA VAL A 113 3.449 -9.488 5.106 1.00 0.91 C ATOM 1773 C VAL A 113 2.067 -10.075 5.408 1.00 0.78 C ATOM 1774 O VAL A 113 1.320 -10.382 4.482 1.00 0.79 O ATOM 1775 CB VAL A 113 3.380 -7.941 5.151 1.00 1.25 C ATOM 1776 CG1 VAL A 113 4.767 -7.309 4.950 1.00 1.83 C ATOM 1777 CG2 VAL A 113 2.385 -7.351 4.142 1.00 2.72 C ATOM 0 H VAL A 113 3.296 -9.818 3.043 1.00 0.80 H new ATOM 0 HA VAL A 113 4.162 -9.806 5.866 1.00 0.91 H new ATOM 0 HB VAL A 113 3.016 -7.693 6.148 1.00 1.25 H new ATOM 0 HG11 VAL A 113 4.681 -6.223 4.987 1.00 1.83 H new ATOM 0 HG12 VAL A 113 5.439 -7.647 5.739 1.00 1.83 H new ATOM 0 HG13 VAL A 113 5.166 -7.608 3.981 1.00 1.83 H new ATOM 0 HG21 VAL A 113 2.385 -6.264 4.224 1.00 2.72 H new ATOM 0 HG22 VAL A 113 2.678 -7.638 3.132 1.00 2.72 H new ATOM 0 HG23 VAL A 113 1.385 -7.731 4.352 1.00 2.72 H new ATOM 1787 N VAL A 114 1.707 -10.183 6.693 1.00 0.89 N ATOM 1788 CA VAL A 114 0.322 -10.428 7.128 1.00 0.90 C ATOM 1789 C VAL A 114 -0.118 -9.233 7.969 1.00 0.95 C ATOM 1790 O VAL A 114 0.576 -8.841 8.906 1.00 1.28 O ATOM 1791 CB VAL A 114 0.159 -11.745 7.921 1.00 1.13 C ATOM 1792 CG1 VAL A 114 -1.322 -11.994 8.262 1.00 1.86 C ATOM 1793 CG2 VAL A 114 0.696 -12.945 7.121 1.00 1.56 C ATOM 0 H VAL A 114 2.369 -10.103 7.465 1.00 0.89 H new ATOM 0 HA VAL A 114 -0.307 -10.540 6.245 1.00 0.90 H new ATOM 0 HB VAL A 114 0.734 -11.643 8.841 1.00 1.13 H new ATOM 0 HG11 VAL A 114 -1.415 -12.926 8.820 1.00 1.86 H new ATOM 0 HG12 VAL A 114 -1.700 -11.169 8.867 1.00 1.86 H new ATOM 0 HG13 VAL A 114 -1.901 -12.063 7.341 1.00 1.86 H new ATOM 0 HG21 VAL A 114 0.568 -13.857 7.704 1.00 1.56 H new ATOM 0 HG22 VAL A 114 0.146 -13.033 6.184 1.00 1.56 H new ATOM 0 HG23 VAL A 114 1.755 -12.796 6.908 1.00 1.56 H new ATOM 1803 N LEU A 115 -1.251 -8.641 7.589 1.00 0.77 N ATOM 1804 CA LEU A 115 -1.820 -7.421 8.156 1.00 0.82 C ATOM 1805 C LEU A 115 -3.247 -7.698 8.689 1.00 0.82 C ATOM 1806 O LEU A 115 -3.976 -8.486 8.069 1.00 0.89 O ATOM 1807 CB LEU A 115 -1.880 -6.337 7.054 1.00 1.01 C ATOM 1808 CG LEU A 115 -0.616 -6.104 6.195 1.00 0.94 C ATOM 1809 CD1 LEU A 115 -0.866 -4.935 5.229 1.00 1.70 C ATOM 1810 CD2 LEU A 115 0.637 -5.805 7.031 1.00 1.97 C ATOM 0 H LEU A 115 -1.826 -9.021 6.837 1.00 0.77 H new ATOM 0 HA LEU A 115 -1.196 -7.079 8.982 1.00 0.82 H new ATOM 0 HB2 LEU A 115 -2.699 -6.590 6.381 1.00 1.01 H new ATOM 0 HB3 LEU A 115 -2.139 -5.391 7.530 1.00 1.01 H new ATOM 0 HG LEU A 115 -0.427 -7.030 5.652 1.00 0.94 H new ATOM 0 HD11 LEU A 115 0.024 -4.768 4.622 1.00 1.70 H new ATOM 0 HD12 LEU A 115 -1.709 -5.173 4.580 1.00 1.70 H new ATOM 0 HD13 LEU A 115 -1.090 -4.034 5.799 1.00 1.70 H new ATOM 0 HD21 LEU A 115 1.489 -5.651 6.368 1.00 1.97 H new ATOM 0 HD22 LEU A 115 0.472 -4.906 7.625 1.00 1.97 H new ATOM 0 HD23 LEU A 115 0.841 -6.645 7.695 1.00 1.97 H new ATOM 1822 N PRO A 116 -3.694 -7.037 9.772 1.00 0.80 N ATOM 1823 CA PRO A 116 -5.101 -6.999 10.154 1.00 0.81 C ATOM 1824 C PRO A 116 -5.915 -6.101 9.207 1.00 0.76 C ATOM 1825 O PRO A 116 -5.355 -5.278 8.481 1.00 0.82 O ATOM 1826 CB PRO A 116 -5.114 -6.460 11.588 1.00 0.89 C ATOM 1827 CG PRO A 116 -3.890 -5.545 11.616 1.00 0.83 C ATOM 1828 CD PRO A 116 -2.894 -6.287 10.727 1.00 0.79 C ATOM 0 HA PRO A 116 -5.563 -7.984 10.091 1.00 0.81 H new ATOM 0 HB2 PRO A 116 -6.032 -5.915 11.807 1.00 0.89 H new ATOM 0 HB3 PRO A 116 -5.037 -7.262 12.322 1.00 0.89 H new ATOM 0 HG2 PRO A 116 -4.118 -4.552 11.228 1.00 0.83 H new ATOM 0 HG3 PRO A 116 -3.508 -5.411 12.628 1.00 0.83 H new ATOM 0 HD2 PRO A 116 -2.230 -5.589 10.217 1.00 0.79 H new ATOM 0 HD3 PRO A 116 -2.264 -6.953 11.317 1.00 0.79 H new ATOM 1836 N VAL A 117 -7.246 -6.217 9.236 1.00 0.73 N ATOM 1837 CA VAL A 117 -8.163 -5.282 8.560 1.00 0.69 C ATOM 1838 C VAL A 117 -8.799 -4.322 9.578 1.00 0.72 C ATOM 1839 O VAL A 117 -9.174 -4.743 10.673 1.00 0.70 O ATOM 1840 CB VAL A 117 -9.250 -6.025 7.761 1.00 0.71 C ATOM 1841 CG1 VAL A 117 -10.154 -5.049 6.984 1.00 0.76 C ATOM 1842 CG2 VAL A 117 -8.670 -7.022 6.747 1.00 0.73 C ATOM 0 H VAL A 117 -7.726 -6.968 9.733 1.00 0.73 H new ATOM 0 HA VAL A 117 -7.576 -4.701 7.849 1.00 0.69 H new ATOM 0 HB VAL A 117 -9.827 -6.567 8.511 1.00 0.71 H new ATOM 0 HG11 VAL A 117 -10.908 -5.611 6.433 1.00 0.76 H new ATOM 0 HG12 VAL A 117 -10.645 -4.373 7.684 1.00 0.76 H new ATOM 0 HG13 VAL A 117 -9.549 -4.471 6.285 1.00 0.76 H new ATOM 0 HG21 VAL A 117 -9.484 -7.515 6.215 1.00 0.73 H new ATOM 0 HG22 VAL A 117 -8.039 -6.491 6.034 1.00 0.73 H new ATOM 0 HG23 VAL A 117 -8.075 -7.769 7.271 1.00 0.73 H new ATOM 1852 N GLU A 118 -8.931 -3.039 9.219 1.00 0.92 N ATOM 1853 CA GLU A 118 -9.352 -1.946 10.097 1.00 0.86 C ATOM 1854 C GLU A 118 -10.305 -0.947 9.406 1.00 1.02 C ATOM 1855 O GLU A 118 -10.195 -0.675 8.208 1.00 1.23 O ATOM 1856 CB GLU A 118 -8.081 -1.239 10.612 1.00 1.08 C ATOM 1857 CG GLU A 118 -8.053 -1.165 12.138 1.00 1.66 C ATOM 1858 CD GLU A 118 -8.952 -0.047 12.652 1.00 2.72 C ATOM 1859 OE1 GLU A 118 -10.191 -0.219 12.688 1.00 3.44 O ATOM 1860 OE2 GLU A 118 -8.427 1.045 12.944 1.00 3.74 O ATOM 0 H GLU A 118 -8.739 -2.723 8.268 1.00 0.92 H new ATOM 0 HA GLU A 118 -9.926 -2.362 10.925 1.00 0.86 H new ATOM 0 HB2 GLU A 118 -7.199 -1.773 10.258 1.00 1.08 H new ATOM 0 HB3 GLU A 118 -8.032 -0.232 10.198 1.00 1.08 H new ATOM 0 HG2 GLU A 118 -8.377 -2.118 12.557 1.00 1.66 H new ATOM 0 HG3 GLU A 118 -7.031 -0.999 12.478 1.00 1.66 H new ATOM 1867 N ALA A 119 -11.238 -0.364 10.166 1.00 1.17 N ATOM 1868 CA ALA A 119 -12.213 0.638 9.720 1.00 1.33 C ATOM 1869 C ALA A 119 -11.610 2.057 9.703 1.00 1.59 C ATOM 1870 O ALA A 119 -12.092 2.963 10.393 1.00 2.38 O ATOM 1871 CB ALA A 119 -13.475 0.508 10.589 1.00 1.61 C ATOM 0 H ALA A 119 -11.339 -0.588 11.156 1.00 1.17 H new ATOM 0 HA ALA A 119 -12.497 0.453 8.684 1.00 1.33 H new ATOM 0 HB1 ALA A 119 -14.212 1.246 10.272 1.00 1.61 H new ATOM 0 HB2 ALA A 119 -13.892 -0.493 10.478 1.00 1.61 H new ATOM 0 HB3 ALA A 119 -13.216 0.679 11.634 1.00 1.61 H new ATOM 1877 N ARG A 120 -10.530 2.210 8.928 1.00 1.90 N ATOM 1878 CA ARG A 120 -9.565 3.309 9.005 1.00 2.66 C ATOM 1879 C ARG A 120 -9.340 3.993 7.653 1.00 3.13 C ATOM 1880 O ARG A 120 -8.418 3.604 6.905 1.00 4.24 O ATOM 1881 CB ARG A 120 -8.310 2.685 9.625 1.00 3.87 C ATOM 1882 CG ARG A 120 -7.299 3.664 10.223 1.00 4.72 C ATOM 1883 CD ARG A 120 -7.828 4.527 11.389 1.00 5.34 C ATOM 1884 NE ARG A 120 -8.621 3.747 12.364 1.00 6.03 N ATOM 1885 CZ ARG A 120 -9.930 3.768 12.495 1.00 6.31 C ATOM 1886 NH1 ARG A 120 -10.669 4.745 12.054 1.00 6.12 N ATOM 1887 NH2 ARG A 120 -10.541 2.755 13.023 1.00 7.47 N ATOM 1888 OXT ARG A 120 -10.176 4.855 7.307 1.00 3.13 O ATOM 0 H ARG A 120 -10.296 1.539 8.197 1.00 1.90 H new ATOM 0 HA ARG A 120 -9.921 4.135 9.621 1.00 2.66 H new ATOM 0 HB2 ARG A 120 -8.621 1.993 10.407 1.00 3.87 H new ATOM 0 HB3 ARG A 120 -7.806 2.095 8.859 1.00 3.87 H new ATOM 0 HG2 ARG A 120 -6.435 3.100 10.573 1.00 4.72 H new ATOM 0 HG3 ARG A 120 -6.948 4.327 9.432 1.00 4.72 H new ATOM 0 HD2 ARG A 120 -6.986 4.993 11.902 1.00 5.34 H new ATOM 0 HD3 ARG A 120 -8.443 5.333 10.989 1.00 5.34 H new ATOM 0 HE ARG A 120 -8.104 3.135 12.995 1.00 6.03 H new ATOM 0 HH11 ARG A 120 -10.236 5.539 11.583 1.00 6.12 H new ATOM 0 HH12 ARG A 120 -11.681 4.716 12.179 1.00 6.12 H new ATOM 0 HH21 ARG A 120 -10.007 1.944 13.336 1.00 7.47 H new ATOM 0 HH22 ARG A 120 -11.556 2.768 13.126 1.00 7.47 H new