USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=19 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 83 HIS : no HE2:sc= 0.0264 X(o=-0.82,f=-1.1) USER MOD Set 1.2: A 85 MET CE :methyl -142:sc= -0.847 (180deg=-1.5) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 61 MET CE :methyl 167:sc= 0 (180deg=-0.317) USER MOD Single : A 11 SER OG : rot 32:sc= 1.17 USER MOD Single : A 15 ASN : amide:sc= 0.08 K(o=0.08,f=-0.6) USER MOD Single : A 19 TYR OH : rot 165:sc= 1.24 USER MOD Single : A 21 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 24 ASN : amide:sc= -0.714 K(o=-0.71,f=-6!) USER MOD Single : A 37 THR OG1 : rot 150:sc= -0.521 USER MOD Single : A 46 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-4.7!) USER MOD Single : A 50 MET CE :methyl 172:sc= 0 (180deg=-0.062) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0.251 (180deg=-0.271) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 2.07 (180deg=2.03) USER MOD Single : A 59 MET CE :methyl -130:sc=-0.00331 (180deg=-0.194) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0.386 (180deg=-0.192) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0.524 (180deg=0.394) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -114:sc= -0.594! (180deg=-3.42!) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.919! (180deg=-1.1!) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.26) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.638) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.968 -2.788 -0.772 1.00 2.02 N ATOM 56 CA GLU A 5 11.144 -3.932 -1.175 1.00 0.97 C ATOM 57 C GLU A 5 9.746 -3.811 -0.526 1.00 0.86 C ATOM 58 O GLU A 5 9.293 -2.678 -0.316 1.00 1.22 O ATOM 59 CB GLU A 5 11.910 -5.229 -0.863 1.00 2.02 C ATOM 60 CG GLU A 5 11.387 -6.449 -1.638 1.00 3.43 C ATOM 61 CD GLU A 5 11.131 -7.633 -0.713 1.00 4.78 C ATOM 62 OE1 GLU A 5 10.432 -7.402 0.299 1.00 5.63 O ATOM 63 OE2 GLU A 5 11.615 -8.742 -1.027 1.00 5.65 O ATOM 0 HA GLU A 5 10.958 -3.950 -2.249 1.00 0.97 H new ATOM 0 HB2 GLU A 5 12.965 -5.084 -1.097 1.00 2.02 H new ATOM 0 HB3 GLU A 5 11.845 -5.432 0.206 1.00 2.02 H new ATOM 0 HG2 GLU A 5 10.465 -6.184 -2.155 1.00 3.43 H new ATOM 0 HG3 GLU A 5 12.111 -6.733 -2.402 1.00 3.43 H new ATOM 70 N GLY A 6 9.031 -4.908 -0.236 1.00 0.92 N ATOM 71 CA GLY A 6 7.680 -4.859 0.323 1.00 0.94 C ATOM 72 C GLY A 6 7.234 -6.148 0.996 1.00 1.07 C ATOM 73 O GLY A 6 7.095 -7.170 0.339 1.00 1.75 O ATOM 0 H GLY A 6 9.378 -5.855 -0.385 1.00 0.92 H new ATOM 0 HA2 GLY A 6 7.629 -4.047 1.049 1.00 0.94 H new ATOM 0 HA3 GLY A 6 6.978 -4.618 -0.475 1.00 0.94 H new ATOM 77 N TRP A 7 6.877 -6.062 2.274 1.00 1.05 N ATOM 78 CA TRP A 7 6.253 -7.150 3.021 1.00 1.08 C ATOM 79 C TRP A 7 4.795 -6.819 3.367 1.00 0.96 C ATOM 80 O TRP A 7 4.439 -5.663 3.612 1.00 0.96 O ATOM 81 CB TRP A 7 7.075 -7.448 4.285 1.00 1.38 C ATOM 82 CG TRP A 7 7.271 -6.303 5.228 1.00 1.47 C ATOM 83 CD1 TRP A 7 6.609 -6.140 6.395 1.00 1.41 C ATOM 84 CD2 TRP A 7 8.132 -5.128 5.088 1.00 1.68 C ATOM 85 NE1 TRP A 7 6.982 -4.948 6.975 1.00 1.52 N ATOM 86 CE2 TRP A 7 7.874 -4.254 6.185 1.00 1.68 C ATOM 87 CE3 TRP A 7 9.074 -4.693 4.129 1.00 1.91 C ATOM 88 CZ2 TRP A 7 8.474 -2.987 6.296 1.00 1.88 C ATOM 89 CZ3 TRP A 7 9.687 -3.430 4.233 1.00 2.12 C ATOM 90 CH2 TRP A 7 9.381 -2.573 5.306 1.00 2.10 C ATOM 0 H TRP A 7 7.016 -5.218 2.830 1.00 1.05 H new ATOM 0 HA TRP A 7 6.239 -8.043 2.397 1.00 1.08 H new ATOM 0 HB2 TRP A 7 6.589 -8.259 4.827 1.00 1.38 H new ATOM 0 HB3 TRP A 7 8.056 -7.812 3.979 1.00 1.38 H new ATOM 0 HD1 TRP A 7 5.896 -6.838 6.809 1.00 1.41 H new ATOM 0 HE1 TRP A 7 6.640 -4.619 7.878 1.00 1.52 H new ATOM 0 HE3 TRP A 7 9.328 -5.340 3.302 1.00 1.91 H new ATOM 0 HZ2 TRP A 7 8.241 -2.342 7.130 1.00 1.88 H new ATOM 0 HZ3 TRP A 7 10.398 -3.116 3.483 1.00 2.12 H new ATOM 0 HH2 TRP A 7 9.842 -1.599 5.369 1.00 2.10 H new ATOM 101 N VAL A 8 3.961 -7.857 3.448 1.00 1.07 N ATOM 102 CA VAL A 8 2.594 -7.754 3.977 1.00 1.08 C ATOM 103 C VAL A 8 2.613 -8.123 5.459 1.00 1.23 C ATOM 104 O VAL A 8 3.366 -8.988 5.903 1.00 1.28 O ATOM 105 CB VAL A 8 1.576 -8.563 3.151 1.00 1.11 C ATOM 106 CG1 VAL A 8 0.164 -8.518 3.764 1.00 1.18 C ATOM 107 CG2 VAL A 8 1.501 -7.945 1.746 1.00 1.01 C ATOM 0 H VAL A 8 4.213 -8.799 3.148 1.00 1.07 H new ATOM 0 HA VAL A 8 2.247 -6.725 3.886 1.00 1.08 H new ATOM 0 HB VAL A 8 1.907 -9.601 3.129 1.00 1.11 H new ATOM 0 HG11 VAL A 8 -0.519 -9.102 3.147 1.00 1.18 H new ATOM 0 HG12 VAL A 8 0.191 -8.935 4.771 1.00 1.18 H new ATOM 0 HG13 VAL A 8 -0.181 -7.485 3.808 1.00 1.18 H new ATOM 0 HG21 VAL A 8 0.785 -8.502 1.141 1.00 1.01 H new ATOM 0 HG22 VAL A 8 1.181 -6.906 1.822 1.00 1.01 H new ATOM 0 HG23 VAL A 8 2.484 -7.988 1.277 1.00 1.01 H new ATOM 117 N ARG A 9 1.830 -7.375 6.233 1.00 1.28 N ATOM 118 CA ARG A 9 2.101 -7.115 7.642 1.00 1.19 C ATOM 119 C ARG A 9 1.351 -8.066 8.580 1.00 1.10 C ATOM 120 O ARG A 9 0.121 -8.040 8.646 1.00 1.66 O ATOM 121 CB ARG A 9 1.759 -5.638 7.869 1.00 1.32 C ATOM 122 CG ARG A 9 2.438 -5.003 9.079 1.00 1.54 C ATOM 123 CD ARG A 9 1.626 -5.100 10.372 1.00 1.95 C ATOM 124 NE ARG A 9 2.193 -4.209 11.391 1.00 2.28 N ATOM 125 CZ ARG A 9 2.037 -2.896 11.477 1.00 2.99 C ATOM 126 NH1 ARG A 9 1.268 -2.218 10.648 1.00 3.87 N ATOM 127 NH2 ARG A 9 2.725 -2.253 12.393 1.00 3.91 N ATOM 0 H ARG A 9 0.979 -6.927 5.893 1.00 1.28 H new ATOM 0 HA ARG A 9 3.147 -7.306 7.882 1.00 1.19 H new ATOM 0 HB2 ARG A 9 2.035 -5.074 6.978 1.00 1.32 H new ATOM 0 HB3 ARG A 9 0.679 -5.543 7.984 1.00 1.32 H new ATOM 0 HG2 ARG A 9 3.405 -5.482 9.233 1.00 1.54 H new ATOM 0 HG3 ARG A 9 2.633 -3.953 8.863 1.00 1.54 H new ATOM 0 HD2 ARG A 9 0.587 -4.831 10.180 1.00 1.95 H new ATOM 0 HD3 ARG A 9 1.627 -6.128 10.735 1.00 1.95 H new ATOM 0 HE ARG A 9 2.769 -4.647 12.110 1.00 2.28 H new ATOM 0 HH11 ARG A 9 0.765 -2.704 9.905 1.00 3.87 H new ATOM 0 HH12 ARG A 9 1.176 -1.207 10.749 1.00 3.87 H new ATOM 0 HH21 ARG A 9 3.355 -2.765 13.010 1.00 3.91 H new ATOM 0 HH22 ARG A 9 2.629 -1.242 12.487 1.00 3.91 H new ATOM 141 N PHE A 10 2.101 -8.866 9.343 1.00 0.99 N ATOM 142 CA PHE A 10 1.555 -9.756 10.365 1.00 1.03 C ATOM 143 C PHE A 10 0.978 -8.956 11.538 1.00 1.06 C ATOM 144 O PHE A 10 1.681 -8.176 12.177 1.00 1.47 O ATOM 145 CB PHE A 10 2.628 -10.751 10.848 1.00 1.31 C ATOM 146 CG PHE A 10 2.276 -11.499 12.135 1.00 1.46 C ATOM 147 CD1 PHE A 10 0.994 -12.058 12.326 1.00 2.62 C ATOM 148 CD2 PHE A 10 3.219 -11.589 13.177 1.00 2.20 C ATOM 149 CE1 PHE A 10 0.655 -12.687 13.536 1.00 2.73 C ATOM 150 CE2 PHE A 10 2.883 -12.218 14.389 1.00 2.33 C ATOM 151 CZ PHE A 10 1.601 -12.765 14.572 1.00 1.83 C ATOM 0 H PHE A 10 3.117 -8.913 9.265 1.00 0.99 H new ATOM 0 HA PHE A 10 0.740 -10.326 9.919 1.00 1.03 H new ATOM 0 HB2 PHE A 10 2.809 -11.480 10.058 1.00 1.31 H new ATOM 0 HB3 PHE A 10 3.562 -10.210 11.002 1.00 1.31 H new ATOM 0 HD1 PHE A 10 0.264 -12.002 11.532 1.00 2.62 H new ATOM 0 HD2 PHE A 10 4.207 -11.172 13.044 1.00 2.20 H new ATOM 0 HE1 PHE A 10 -0.330 -13.109 13.669 1.00 2.73 H new ATOM 0 HE2 PHE A 10 3.613 -12.281 15.183 1.00 2.33 H new ATOM 0 HZ PHE A 10 1.344 -13.243 15.506 1.00 1.83 H new ATOM 161 N SER A 11 -0.291 -9.188 11.869 1.00 0.94 N ATOM 162 CA SER A 11 -0.912 -8.762 13.115 1.00 1.14 C ATOM 163 C SER A 11 -2.188 -9.582 13.383 1.00 1.20 C ATOM 164 O SER A 11 -2.917 -9.866 12.428 1.00 1.32 O ATOM 165 CB SER A 11 -1.252 -7.275 13.018 1.00 1.49 C ATOM 166 OG SER A 11 -0.111 -6.483 13.309 1.00 2.36 O ATOM 0 H SER A 11 -0.932 -9.693 11.257 1.00 0.94 H new ATOM 0 HA SER A 11 -0.220 -8.926 13.941 1.00 1.14 H new ATOM 0 HB2 SER A 11 -1.616 -7.044 12.017 1.00 1.49 H new ATOM 0 HB3 SER A 11 -2.056 -7.034 13.713 1.00 1.49 H new ATOM 0 HG SER A 11 0.697 -6.953 13.015 1.00 2.36 H new ATOM 172 N PRO A 12 -2.468 -9.967 14.645 1.00 1.36 N ATOM 173 CA PRO A 12 -3.700 -10.644 15.039 1.00 1.62 C ATOM 174 C PRO A 12 -4.803 -9.599 15.279 1.00 1.78 C ATOM 175 O PRO A 12 -5.236 -9.376 16.410 1.00 2.62 O ATOM 176 CB PRO A 12 -3.314 -11.440 16.291 1.00 1.85 C ATOM 177 CG PRO A 12 -2.300 -10.520 16.973 1.00 1.82 C ATOM 178 CD PRO A 12 -1.574 -9.866 15.796 1.00 1.51 C ATOM 0 HA PRO A 12 -4.107 -11.315 14.283 1.00 1.62 H new ATOM 0 HB2 PRO A 12 -4.176 -11.636 16.928 1.00 1.85 H new ATOM 0 HB3 PRO A 12 -2.878 -12.407 16.038 1.00 1.85 H new ATOM 0 HG2 PRO A 12 -2.790 -9.780 17.606 1.00 1.82 H new ATOM 0 HG3 PRO A 12 -1.614 -11.079 17.609 1.00 1.82 H new ATOM 0 HD2 PRO A 12 -1.341 -8.824 16.015 1.00 1.51 H new ATOM 0 HD3 PRO A 12 -0.628 -10.369 15.597 1.00 1.51 H new ATOM 186 N GLY A 13 -5.211 -8.912 14.207 1.00 1.37 N ATOM 187 CA GLY A 13 -6.195 -7.825 14.245 1.00 1.55 C ATOM 188 C GLY A 13 -7.431 -8.089 13.375 1.00 1.28 C ATOM 189 O GLY A 13 -7.429 -9.024 12.576 1.00 1.37 O ATOM 0 H GLY A 13 -4.859 -9.100 13.268 1.00 1.37 H new ATOM 0 HA2 GLY A 13 -6.513 -7.669 15.276 1.00 1.55 H new ATOM 0 HA3 GLY A 13 -5.718 -6.902 13.915 1.00 1.55 H new ATOM 193 N PRO A 14 -8.471 -7.236 13.481 1.00 1.41 N ATOM 194 CA PRO A 14 -9.560 -7.176 12.506 1.00 1.52 C ATOM 195 C PRO A 14 -9.086 -6.565 11.175 1.00 1.09 C ATOM 196 O PRO A 14 -9.704 -6.799 10.136 1.00 1.20 O ATOM 197 CB PRO A 14 -10.629 -6.305 13.173 1.00 1.98 C ATOM 198 CG PRO A 14 -9.810 -5.332 14.022 1.00 2.03 C ATOM 199 CD PRO A 14 -8.619 -6.176 14.476 1.00 1.81 C ATOM 0 HA PRO A 14 -9.939 -8.166 12.252 1.00 1.52 H new ATOM 0 HB2 PRO A 14 -11.239 -5.782 12.436 1.00 1.98 H new ATOM 0 HB3 PRO A 14 -11.308 -6.899 13.784 1.00 1.98 H new ATOM 0 HG2 PRO A 14 -9.491 -4.465 13.444 1.00 2.03 H new ATOM 0 HG3 PRO A 14 -10.384 -4.957 14.870 1.00 2.03 H new ATOM 0 HD2 PRO A 14 -7.714 -5.571 14.539 1.00 1.81 H new ATOM 0 HD3 PRO A 14 -8.793 -6.594 15.468 1.00 1.81 H new ATOM 207 N ASN A 15 -7.977 -5.813 11.208 1.00 0.81 N ATOM 208 CA ASN A 15 -7.300 -5.225 10.067 1.00 0.56 C ATOM 209 C ASN A 15 -5.789 -5.052 10.309 1.00 0.66 C ATOM 210 O ASN A 15 -5.295 -5.158 11.435 1.00 0.91 O ATOM 211 CB ASN A 15 -7.982 -3.899 9.691 1.00 0.91 C ATOM 212 CG ASN A 15 -7.665 -2.737 10.632 1.00 1.50 C ATOM 213 OD1 ASN A 15 -7.733 -2.848 11.847 1.00 2.08 O ATOM 214 ND2 ASN A 15 -7.311 -1.588 10.091 1.00 2.35 N ATOM 0 H ASN A 15 -7.510 -5.592 12.087 1.00 0.81 H new ATOM 0 HA ASN A 15 -7.386 -5.911 9.225 1.00 0.56 H new ATOM 0 HB2 ASN A 15 -7.682 -3.624 8.680 1.00 0.91 H new ATOM 0 HB3 ASN A 15 -9.061 -4.052 9.673 1.00 0.91 H new ATOM 0 HD21 ASN A 15 -7.093 -0.789 10.687 1.00 2.35 H new ATOM 0 HD22 ASN A 15 -7.255 -1.498 9.077 1.00 2.35 H new ATOM 221 N ALA A 16 -5.059 -4.721 9.239 1.00 0.64 N ATOM 222 CA ALA A 16 -3.632 -4.407 9.241 1.00 0.89 C ATOM 223 C ALA A 16 -3.317 -3.372 8.145 1.00 0.78 C ATOM 224 O ALA A 16 -4.072 -3.249 7.178 1.00 0.54 O ATOM 225 CB ALA A 16 -2.841 -5.713 9.045 1.00 1.24 C ATOM 0 H ALA A 16 -5.468 -4.663 8.307 1.00 0.64 H new ATOM 0 HA ALA A 16 -3.339 -3.964 10.193 1.00 0.89 H new ATOM 0 HB1 ALA A 16 -1.773 -5.495 9.044 1.00 1.24 H new ATOM 0 HB2 ALA A 16 -3.070 -6.402 9.858 1.00 1.24 H new ATOM 0 HB3 ALA A 16 -3.119 -6.168 8.094 1.00 1.24 H new ATOM 231 N ALA A 17 -2.206 -2.647 8.298 1.00 1.45 N ATOM 232 CA ALA A 17 -1.607 -1.818 7.248 1.00 1.35 C ATOM 233 C ALA A 17 -0.488 -2.602 6.552 1.00 1.44 C ATOM 234 O ALA A 17 0.491 -2.947 7.210 1.00 2.12 O ATOM 235 CB ALA A 17 -1.055 -0.526 7.873 1.00 1.49 C ATOM 0 H ALA A 17 -1.686 -2.619 9.175 1.00 1.45 H new ATOM 0 HA ALA A 17 -2.361 -1.556 6.506 1.00 1.35 H new ATOM 0 HB1 ALA A 17 -0.609 0.093 7.095 1.00 1.49 H new ATOM 0 HB2 ALA A 17 -1.866 0.022 8.352 1.00 1.49 H new ATOM 0 HB3 ALA A 17 -0.298 -0.776 8.616 1.00 1.49 H new ATOM 241 N ALA A 18 -0.644 -2.890 5.260 1.00 1.01 N ATOM 242 CA ALA A 18 0.366 -3.518 4.402 1.00 1.06 C ATOM 243 C ALA A 18 1.131 -2.472 3.578 1.00 0.82 C ATOM 244 O ALA A 18 0.668 -1.339 3.409 1.00 0.89 O ATOM 245 CB ALA A 18 -0.334 -4.557 3.523 1.00 1.32 C ATOM 0 H ALA A 18 -1.510 -2.685 4.761 1.00 1.01 H new ATOM 0 HA ALA A 18 1.118 -4.018 5.012 1.00 1.06 H new ATOM 0 HB1 ALA A 18 0.399 -5.038 2.875 1.00 1.32 H new ATOM 0 HB2 ALA A 18 -0.808 -5.308 4.155 1.00 1.32 H new ATOM 0 HB3 ALA A 18 -1.092 -4.066 2.912 1.00 1.32 H new ATOM 251 N TYR A 19 2.291 -2.867 3.053 1.00 0.75 N ATOM 252 CA TYR A 19 3.259 -1.992 2.383 1.00 0.80 C ATOM 253 C TYR A 19 3.805 -2.631 1.101 1.00 1.00 C ATOM 254 O TYR A 19 3.775 -3.852 0.954 1.00 1.25 O ATOM 255 CB TYR A 19 4.464 -1.743 3.310 1.00 0.87 C ATOM 256 CG TYR A 19 4.179 -1.677 4.797 1.00 0.88 C ATOM 257 CD1 TYR A 19 3.405 -0.632 5.333 1.00 1.49 C ATOM 258 CD2 TYR A 19 4.692 -2.679 5.640 1.00 2.48 C ATOM 259 CE1 TYR A 19 3.179 -0.567 6.722 1.00 1.45 C ATOM 260 CE2 TYR A 19 4.489 -2.608 7.026 1.00 2.64 C ATOM 261 CZ TYR A 19 3.755 -1.535 7.577 1.00 1.20 C ATOM 262 OH TYR A 19 3.619 -1.420 8.926 1.00 1.47 O ATOM 0 H TYR A 19 2.595 -3.840 3.083 1.00 0.75 H new ATOM 0 HA TYR A 19 2.738 -1.065 2.141 1.00 0.80 H new ATOM 0 HB2 TYR A 19 5.194 -2.534 3.139 1.00 0.87 H new ATOM 0 HB3 TYR A 19 4.934 -0.806 3.012 1.00 0.87 H new ATOM 0 HD1 TYR A 19 2.985 0.119 4.681 1.00 1.49 H new ATOM 0 HD2 TYR A 19 5.244 -3.506 5.219 1.00 2.48 H new ATOM 0 HE1 TYR A 19 2.566 0.221 7.134 1.00 1.45 H new ATOM 0 HE2 TYR A 19 4.894 -3.374 7.671 1.00 2.64 H new ATOM 0 HH TYR A 19 3.853 -2.271 9.352 1.00 1.47 H new ATOM 272 N LEU A 20 4.432 -1.809 0.244 1.00 0.91 N ATOM 273 CA LEU A 20 5.383 -2.238 -0.793 1.00 0.90 C ATOM 274 C LEU A 20 6.183 -1.082 -1.405 1.00 0.88 C ATOM 275 O LEU A 20 5.736 0.067 -1.407 1.00 0.86 O ATOM 276 CB LEU A 20 4.742 -3.116 -1.898 1.00 0.92 C ATOM 277 CG LEU A 20 3.951 -2.384 -3.007 1.00 1.06 C ATOM 278 CD1 LEU A 20 3.604 -3.368 -4.131 1.00 1.62 C ATOM 279 CD2 LEU A 20 2.664 -1.744 -2.476 1.00 1.26 C ATOM 0 H LEU A 20 4.287 -0.799 0.254 1.00 0.91 H new ATOM 0 HA LEU A 20 6.092 -2.869 -0.257 1.00 0.90 H new ATOM 0 HB2 LEU A 20 5.534 -3.694 -2.373 1.00 0.92 H new ATOM 0 HB3 LEU A 20 4.071 -3.828 -1.418 1.00 0.92 H new ATOM 0 HG LEU A 20 4.587 -1.584 -3.386 1.00 1.06 H new ATOM 0 HD11 LEU A 20 3.047 -2.848 -4.910 1.00 1.62 H new ATOM 0 HD12 LEU A 20 4.522 -3.777 -4.553 1.00 1.62 H new ATOM 0 HD13 LEU A 20 2.996 -4.179 -3.730 1.00 1.62 H new ATOM 0 HD21 LEU A 20 2.144 -1.242 -3.292 1.00 1.26 H new ATOM 0 HD22 LEU A 20 2.020 -2.517 -2.056 1.00 1.26 H new ATOM 0 HD23 LEU A 20 2.911 -1.017 -1.702 1.00 1.26 H new ATOM 291 N THR A 21 7.327 -1.418 -2.005 1.00 0.95 N ATOM 292 CA THR A 21 7.967 -0.602 -3.041 1.00 0.93 C ATOM 293 C THR A 21 7.271 -0.858 -4.371 1.00 0.97 C ATOM 294 O THR A 21 6.890 -1.986 -4.674 1.00 1.24 O ATOM 295 CB THR A 21 9.468 -0.864 -3.144 1.00 1.01 C ATOM 296 OG1 THR A 21 10.051 -0.584 -1.895 1.00 1.06 O ATOM 297 CG2 THR A 21 10.117 0.075 -4.161 1.00 1.19 C ATOM 0 H THR A 21 7.840 -2.271 -1.784 1.00 0.95 H new ATOM 0 HA THR A 21 7.863 0.448 -2.767 1.00 0.93 H new ATOM 0 HB THR A 21 9.619 -1.899 -3.449 1.00 1.01 H new ATOM 0 HG1 THR A 21 9.877 -1.326 -1.279 1.00 1.06 H new ATOM 0 HG21 THR A 21 11.186 -0.131 -4.216 1.00 1.19 H new ATOM 0 HG22 THR A 21 9.666 -0.082 -5.141 1.00 1.19 H new ATOM 0 HG23 THR A 21 9.962 1.109 -3.852 1.00 1.19 H new ATOM 305 N LEU A 22 7.110 0.211 -5.149 1.00 0.95 N ATOM 306 CA LEU A 22 6.474 0.261 -6.458 1.00 1.02 C ATOM 307 C LEU A 22 7.407 1.007 -7.420 1.00 0.87 C ATOM 308 O LEU A 22 7.853 2.118 -7.112 1.00 0.84 O ATOM 309 CB LEU A 22 5.133 1.005 -6.262 1.00 1.21 C ATOM 310 CG LEU A 22 4.046 0.906 -7.344 1.00 1.47 C ATOM 311 CD1 LEU A 22 4.494 1.423 -8.709 1.00 2.05 C ATOM 312 CD2 LEU A 22 3.508 -0.525 -7.462 1.00 2.14 C ATOM 0 H LEU A 22 7.446 1.129 -4.857 1.00 0.95 H new ATOM 0 HA LEU A 22 6.286 -0.726 -6.880 1.00 1.02 H new ATOM 0 HB2 LEU A 22 4.697 0.651 -5.328 1.00 1.21 H new ATOM 0 HB3 LEU A 22 5.363 2.062 -6.126 1.00 1.21 H new ATOM 0 HG LEU A 22 3.241 1.563 -7.013 1.00 1.47 H new ATOM 0 HD11 LEU A 22 3.676 1.322 -9.423 1.00 2.05 H new ATOM 0 HD12 LEU A 22 4.776 2.473 -8.626 1.00 2.05 H new ATOM 0 HD13 LEU A 22 5.350 0.844 -9.054 1.00 2.05 H new ATOM 0 HD21 LEU A 22 2.741 -0.563 -8.235 1.00 2.14 H new ATOM 0 HD22 LEU A 22 4.323 -1.199 -7.726 1.00 2.14 H new ATOM 0 HD23 LEU A 22 3.078 -0.832 -6.509 1.00 2.14 H new ATOM 324 N GLU A 23 7.668 0.420 -8.585 1.00 0.92 N ATOM 325 CA GLU A 23 8.386 1.035 -9.699 1.00 0.91 C ATOM 326 C GLU A 23 7.463 1.226 -10.896 1.00 0.84 C ATOM 327 O GLU A 23 6.850 0.279 -11.382 1.00 0.99 O ATOM 328 CB GLU A 23 9.626 0.231 -10.148 1.00 1.36 C ATOM 329 CG GLU A 23 9.514 -1.305 -10.104 1.00 1.61 C ATOM 330 CD GLU A 23 10.111 -1.833 -8.803 1.00 2.48 C ATOM 331 OE1 GLU A 23 9.730 -1.347 -7.719 1.00 3.28 O ATOM 332 OE2 GLU A 23 11.082 -2.613 -8.836 1.00 3.34 O ATOM 0 H GLU A 23 7.373 -0.535 -8.787 1.00 0.92 H new ATOM 0 HA GLU A 23 8.734 1.999 -9.328 1.00 0.91 H new ATOM 0 HB2 GLU A 23 9.869 0.524 -11.169 1.00 1.36 H new ATOM 0 HB3 GLU A 23 10.468 0.528 -9.522 1.00 1.36 H new ATOM 0 HG2 GLU A 23 8.469 -1.604 -10.182 1.00 1.61 H new ATOM 0 HG3 GLU A 23 10.035 -1.741 -10.956 1.00 1.61 H new ATOM 339 N ASN A 24 7.451 2.444 -11.430 1.00 0.87 N ATOM 340 CA ASN A 24 7.079 2.700 -12.810 1.00 0.84 C ATOM 341 C ASN A 24 8.324 2.543 -13.706 1.00 0.86 C ATOM 342 O ASN A 24 9.231 3.374 -13.617 1.00 0.95 O ATOM 343 CB ASN A 24 6.513 4.121 -12.910 1.00 0.83 C ATOM 344 CG ASN A 24 6.031 4.454 -14.310 1.00 0.90 C ATOM 345 OD1 ASN A 24 6.094 3.646 -15.228 1.00 0.95 O ATOM 346 ND2 ASN A 24 5.503 5.645 -14.487 1.00 1.00 N ATOM 0 H ASN A 24 7.702 3.285 -10.910 1.00 0.87 H new ATOM 0 HA ASN A 24 6.320 1.991 -13.142 1.00 0.84 H new ATOM 0 HB2 ASN A 24 5.686 4.230 -12.208 1.00 0.83 H new ATOM 0 HB3 ASN A 24 7.280 4.836 -12.613 1.00 0.83 H new ATOM 0 HD21 ASN A 24 5.137 5.910 -15.401 1.00 1.00 H new ATOM 0 HD22 ASN A 24 5.460 6.304 -13.710 1.00 1.00 H new ATOM 353 N PRO A 25 8.397 1.510 -14.561 1.00 0.92 N ATOM 354 CA PRO A 25 9.504 1.334 -15.495 1.00 0.94 C ATOM 355 C PRO A 25 9.318 2.073 -16.826 1.00 0.92 C ATOM 356 O PRO A 25 10.261 2.114 -17.613 1.00 0.95 O ATOM 357 CB PRO A 25 9.549 -0.180 -15.729 1.00 1.10 C ATOM 358 CG PRO A 25 8.066 -0.560 -15.676 1.00 1.20 C ATOM 359 CD PRO A 25 7.535 0.336 -14.568 1.00 1.09 C ATOM 0 HA PRO A 25 10.424 1.751 -15.084 1.00 0.94 H new ATOM 0 HB2 PRO A 25 9.999 -0.430 -16.690 1.00 1.10 H new ATOM 0 HB3 PRO A 25 10.129 -0.693 -14.962 1.00 1.10 H new ATOM 0 HG2 PRO A 25 7.565 -0.371 -16.625 1.00 1.20 H new ATOM 0 HG3 PRO A 25 7.926 -1.616 -15.446 1.00 1.20 H new ATOM 0 HD2 PRO A 25 6.497 0.614 -14.753 1.00 1.09 H new ATOM 0 HD3 PRO A 25 7.562 -0.175 -13.605 1.00 1.09 H new ATOM 367 N GLY A 26 8.132 2.631 -17.103 1.00 0.94 N ATOM 368 CA GLY A 26 7.800 3.266 -18.381 1.00 1.01 C ATOM 369 C GLY A 26 8.101 4.763 -18.405 1.00 1.04 C ATOM 370 O GLY A 26 8.348 5.375 -17.372 1.00 1.10 O ATOM 0 H GLY A 26 7.364 2.653 -16.432 1.00 0.94 H new ATOM 0 HA2 GLY A 26 8.359 2.777 -19.179 1.00 1.01 H new ATOM 0 HA3 GLY A 26 6.742 3.111 -18.592 1.00 1.01 H new ATOM 374 N ASP A 27 8.061 5.348 -19.605 1.00 1.16 N ATOM 375 CA ASP A 27 8.296 6.779 -19.867 1.00 1.30 C ATOM 376 C ASP A 27 7.035 7.661 -19.755 1.00 1.33 C ATOM 377 O ASP A 27 7.122 8.883 -19.870 1.00 1.51 O ATOM 378 CB ASP A 27 8.969 6.921 -21.241 1.00 1.53 C ATOM 379 CG ASP A 27 10.426 6.467 -21.156 1.00 2.06 C ATOM 380 OD1 ASP A 27 11.275 7.280 -20.727 1.00 3.39 O ATOM 381 OD2 ASP A 27 10.705 5.266 -21.376 1.00 2.11 O ATOM 0 H ASP A 27 7.857 4.823 -20.455 1.00 1.16 H new ATOM 0 HA ASP A 27 8.953 7.153 -19.082 1.00 1.30 H new ATOM 0 HB2 ASP A 27 8.435 6.324 -21.980 1.00 1.53 H new ATOM 0 HB3 ASP A 27 8.921 7.958 -21.574 1.00 1.53 H new ATOM 386 N LEU A 28 5.872 7.066 -19.463 1.00 1.22 N ATOM 387 CA LEU A 28 4.632 7.767 -19.105 1.00 1.28 C ATOM 388 C LEU A 28 4.246 7.467 -17.639 1.00 1.09 C ATOM 389 O LEU A 28 4.724 6.471 -17.090 1.00 0.94 O ATOM 390 CB LEU A 28 3.558 7.431 -20.160 1.00 1.44 C ATOM 391 CG LEU A 28 3.040 5.975 -20.222 1.00 1.42 C ATOM 392 CD1 LEU A 28 2.013 5.661 -19.122 1.00 1.84 C ATOM 393 CD2 LEU A 28 2.371 5.750 -21.586 1.00 1.54 C ATOM 0 H LEU A 28 5.764 6.052 -19.469 1.00 1.22 H new ATOM 0 HA LEU A 28 4.756 8.850 -19.131 1.00 1.28 H new ATOM 0 HB2 LEU A 28 2.703 8.084 -19.987 1.00 1.44 H new ATOM 0 HB3 LEU A 28 3.960 7.686 -21.141 1.00 1.44 H new ATOM 0 HG LEU A 28 3.896 5.317 -20.074 1.00 1.42 H new ATOM 0 HD11 LEU A 28 1.685 4.626 -19.215 1.00 1.84 H new ATOM 0 HD12 LEU A 28 2.470 5.810 -18.144 1.00 1.84 H new ATOM 0 HD13 LEU A 28 1.154 6.324 -19.226 1.00 1.84 H new ATOM 0 HD21 LEU A 28 2.000 4.727 -21.645 1.00 1.54 H new ATOM 0 HD22 LEU A 28 1.539 6.445 -21.702 1.00 1.54 H new ATOM 0 HD23 LEU A 28 3.098 5.919 -22.380 1.00 1.54 H new ATOM 405 N PRO A 29 3.415 8.292 -16.969 1.00 1.13 N ATOM 406 CA PRO A 29 3.149 8.158 -15.538 1.00 1.01 C ATOM 407 C PRO A 29 2.100 7.067 -15.255 1.00 0.90 C ATOM 408 O PRO A 29 1.205 6.837 -16.069 1.00 1.05 O ATOM 409 CB PRO A 29 2.650 9.534 -15.090 1.00 1.17 C ATOM 410 CG PRO A 29 1.962 10.085 -16.339 1.00 1.35 C ATOM 411 CD PRO A 29 2.736 9.462 -17.504 1.00 1.36 C ATOM 0 HA PRO A 29 4.043 7.853 -14.994 1.00 1.01 H new ATOM 0 HB2 PRO A 29 1.958 9.457 -14.251 1.00 1.17 H new ATOM 0 HB3 PRO A 29 3.471 10.174 -14.768 1.00 1.17 H new ATOM 0 HG2 PRO A 29 0.908 9.807 -16.368 1.00 1.35 H new ATOM 0 HG3 PRO A 29 2.006 11.174 -16.370 1.00 1.35 H new ATOM 0 HD2 PRO A 29 2.061 9.183 -18.313 1.00 1.36 H new ATOM 0 HD3 PRO A 29 3.453 10.172 -17.917 1.00 1.36 H new ATOM 419 N LEU A 30 2.166 6.436 -14.074 1.00 0.72 N ATOM 420 CA LEU A 30 1.159 5.479 -13.594 1.00 0.65 C ATOM 421 C LEU A 30 0.218 6.128 -12.591 1.00 0.64 C ATOM 422 O LEU A 30 0.604 7.023 -11.845 1.00 0.84 O ATOM 423 CB LEU A 30 1.785 4.258 -12.903 1.00 0.71 C ATOM 424 CG LEU A 30 2.712 3.428 -13.789 1.00 0.89 C ATOM 425 CD1 LEU A 30 3.032 2.106 -13.094 1.00 1.79 C ATOM 426 CD2 LEU A 30 2.224 3.138 -15.212 1.00 1.84 C ATOM 0 H LEU A 30 2.932 6.578 -13.416 1.00 0.72 H new ATOM 0 HA LEU A 30 0.620 5.157 -14.485 1.00 0.65 H new ATOM 0 HB2 LEU A 30 2.346 4.598 -12.032 1.00 0.71 H new ATOM 0 HB3 LEU A 30 0.985 3.616 -12.536 1.00 0.71 H new ATOM 0 HG LEU A 30 3.593 4.057 -13.920 1.00 0.89 H new ATOM 0 HD11 LEU A 30 3.693 1.513 -13.726 1.00 1.79 H new ATOM 0 HD12 LEU A 30 3.523 2.305 -12.141 1.00 1.79 H new ATOM 0 HD13 LEU A 30 2.108 1.555 -12.918 1.00 1.79 H new ATOM 0 HD21 LEU A 30 2.970 2.542 -15.738 1.00 1.84 H new ATOM 0 HD22 LEU A 30 1.284 2.588 -15.169 1.00 1.84 H new ATOM 0 HD23 LEU A 30 2.070 4.078 -15.743 1.00 1.84 H new ATOM 438 N ARG A 31 -0.975 5.544 -12.495 1.00 0.54 N ATOM 439 CA ARG A 31 -1.977 5.834 -11.456 1.00 0.52 C ATOM 440 C ARG A 31 -2.506 4.522 -10.864 1.00 0.49 C ATOM 441 O ARG A 31 -3.158 3.740 -11.562 1.00 0.51 O ATOM 442 CB ARG A 31 -3.089 6.736 -12.021 1.00 0.59 C ATOM 443 CG ARG A 31 -3.914 7.434 -10.922 1.00 0.64 C ATOM 444 CD ARG A 31 -4.645 8.712 -11.378 1.00 0.76 C ATOM 445 NE ARG A 31 -3.737 9.870 -11.547 1.00 1.67 N ATOM 446 CZ ARG A 31 -3.480 10.575 -12.642 1.00 1.84 C ATOM 447 NH1 ARG A 31 -4.043 10.315 -13.805 1.00 1.79 N ATOM 448 NH2 ARG A 31 -2.629 11.568 -12.579 1.00 3.07 N ATOM 0 H ARG A 31 -1.286 4.833 -13.156 1.00 0.54 H new ATOM 0 HA ARG A 31 -1.517 6.389 -10.639 1.00 0.52 H new ATOM 0 HB2 ARG A 31 -2.643 7.491 -12.668 1.00 0.59 H new ATOM 0 HB3 ARG A 31 -3.755 6.137 -12.642 1.00 0.59 H new ATOM 0 HG2 ARG A 31 -4.650 6.729 -10.537 1.00 0.64 H new ATOM 0 HG3 ARG A 31 -3.251 7.687 -10.095 1.00 0.64 H new ATOM 0 HD2 ARG A 31 -5.154 8.516 -12.322 1.00 0.76 H new ATOM 0 HD3 ARG A 31 -5.414 8.964 -10.648 1.00 0.76 H new ATOM 0 HE ARG A 31 -3.241 10.166 -10.706 1.00 1.67 H new ATOM 0 HH11 ARG A 31 -4.706 9.545 -13.890 1.00 1.79 H new ATOM 0 HH12 ARG A 31 -3.815 10.884 -14.620 1.00 1.79 H new ATOM 0 HH21 ARG A 31 -2.172 11.792 -11.695 1.00 3.07 H new ATOM 0 HH22 ARG A 31 -2.423 12.117 -13.414 1.00 3.07 H new ATOM 462 N LEU A 32 -2.152 4.266 -9.606 1.00 0.51 N ATOM 463 CA LEU A 32 -2.431 3.055 -8.827 1.00 0.52 C ATOM 464 C LEU A 32 -3.701 3.307 -8.008 1.00 0.54 C ATOM 465 O LEU A 32 -3.699 4.136 -7.111 1.00 0.65 O ATOM 466 CB LEU A 32 -1.200 2.789 -7.936 1.00 0.57 C ATOM 467 CG LEU A 32 -1.334 1.637 -6.914 1.00 0.59 C ATOM 468 CD1 LEU A 32 -1.216 0.264 -7.588 1.00 0.73 C ATOM 469 CD2 LEU A 32 -0.239 1.762 -5.842 1.00 0.72 C ATOM 0 H LEU A 32 -1.624 4.948 -9.062 1.00 0.51 H new ATOM 0 HA LEU A 32 -2.602 2.177 -9.451 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -0.349 2.576 -8.582 1.00 0.57 H new ATOM 0 HB3 LEU A 32 -0.966 3.704 -7.392 1.00 0.57 H new ATOM 0 HG LEU A 32 -2.322 1.714 -6.459 1.00 0.59 H new ATOM 0 HD11 LEU A 32 -1.315 -0.520 -6.837 1.00 0.73 H new ATOM 0 HD12 LEU A 32 -2.005 0.155 -8.333 1.00 0.73 H new ATOM 0 HD13 LEU A 32 -0.244 0.180 -8.074 1.00 0.73 H new ATOM 0 HD21 LEU A 32 -0.338 0.948 -5.124 1.00 0.72 H new ATOM 0 HD22 LEU A 32 0.741 1.711 -6.316 1.00 0.72 H new ATOM 0 HD23 LEU A 32 -0.343 2.716 -5.325 1.00 0.72 H new ATOM 481 N VAL A 33 -4.783 2.608 -8.323 1.00 0.49 N ATOM 482 CA VAL A 33 -6.141 2.929 -7.839 1.00 0.46 C ATOM 483 C VAL A 33 -6.623 1.975 -6.737 1.00 0.45 C ATOM 484 O VAL A 33 -7.629 2.238 -6.082 1.00 0.47 O ATOM 485 CB VAL A 33 -7.157 2.996 -9.005 1.00 0.47 C ATOM 486 CG1 VAL A 33 -6.721 4.029 -10.063 1.00 0.58 C ATOM 487 CG2 VAL A 33 -7.373 1.643 -9.710 1.00 0.52 C ATOM 0 H VAL A 33 -4.754 1.789 -8.930 1.00 0.49 H new ATOM 0 HA VAL A 33 -6.078 3.919 -7.387 1.00 0.46 H new ATOM 0 HB VAL A 33 -8.099 3.292 -8.544 1.00 0.47 H new ATOM 0 HG11 VAL A 33 -7.453 4.055 -10.870 1.00 0.58 H new ATOM 0 HG12 VAL A 33 -6.654 5.015 -9.603 1.00 0.58 H new ATOM 0 HG13 VAL A 33 -5.747 3.749 -10.465 1.00 0.58 H new ATOM 0 HG21 VAL A 33 -8.097 1.764 -10.516 1.00 0.52 H new ATOM 0 HG22 VAL A 33 -6.427 1.292 -10.122 1.00 0.52 H new ATOM 0 HG23 VAL A 33 -7.749 0.914 -8.992 1.00 0.52 H new ATOM 497 N GLY A 34 -5.895 0.873 -6.517 1.00 0.46 N ATOM 498 CA GLY A 34 -6.126 -0.066 -5.424 1.00 0.49 C ATOM 499 C GLY A 34 -5.188 -1.266 -5.493 1.00 0.49 C ATOM 500 O GLY A 34 -4.203 -1.262 -6.234 1.00 0.49 O ATOM 0 H GLY A 34 -5.110 0.607 -7.112 1.00 0.46 H new ATOM 0 HA2 GLY A 34 -5.990 0.446 -4.471 1.00 0.49 H new ATOM 0 HA3 GLY A 34 -7.159 -0.411 -5.455 1.00 0.49 H new ATOM 504 N ALA A 35 -5.519 -2.312 -4.742 1.00 0.55 N ATOM 505 CA ALA A 35 -4.957 -3.648 -4.903 1.00 0.56 C ATOM 506 C ALA A 35 -6.017 -4.713 -4.550 1.00 0.58 C ATOM 507 O ALA A 35 -7.147 -4.344 -4.230 1.00 0.68 O ATOM 508 CB ALA A 35 -3.647 -3.777 -4.120 1.00 0.74 C ATOM 0 H ALA A 35 -6.202 -2.252 -3.987 1.00 0.55 H new ATOM 0 HA ALA A 35 -4.691 -3.822 -5.946 1.00 0.56 H new ATOM 0 HB1 ALA A 35 -3.242 -4.780 -4.252 1.00 0.74 H new ATOM 0 HB2 ALA A 35 -2.929 -3.044 -4.489 1.00 0.74 H new ATOM 0 HB3 ALA A 35 -3.837 -3.598 -3.062 1.00 0.74 H new ATOM 514 N ARG A 36 -5.687 -6.009 -4.619 1.00 0.62 N ATOM 515 CA ARG A 36 -6.605 -7.128 -4.337 1.00 0.65 C ATOM 516 C ARG A 36 -5.782 -8.358 -3.931 1.00 0.70 C ATOM 517 O ARG A 36 -4.723 -8.580 -4.500 1.00 0.81 O ATOM 518 CB ARG A 36 -7.520 -7.335 -5.564 1.00 0.81 C ATOM 519 CG ARG A 36 -8.012 -8.776 -5.743 1.00 1.63 C ATOM 520 CD ARG A 36 -8.770 -8.958 -7.061 1.00 2.26 C ATOM 521 NE ARG A 36 -9.551 -10.208 -7.054 1.00 3.31 N ATOM 522 CZ ARG A 36 -9.137 -11.412 -7.443 1.00 4.28 C ATOM 523 NH1 ARG A 36 -7.919 -11.661 -7.864 1.00 4.86 N ATOM 524 NH2 ARG A 36 -9.977 -12.423 -7.403 1.00 5.45 N ATOM 0 H ARG A 36 -4.751 -6.320 -4.879 1.00 0.62 H new ATOM 0 HA ARG A 36 -7.266 -6.922 -3.495 1.00 0.65 H new ATOM 0 HB2 ARG A 36 -8.384 -6.676 -5.475 1.00 0.81 H new ATOM 0 HB3 ARG A 36 -6.980 -7.033 -6.461 1.00 0.81 H new ATOM 0 HG2 ARG A 36 -7.161 -9.457 -5.716 1.00 1.63 H new ATOM 0 HG3 ARG A 36 -8.662 -9.045 -4.910 1.00 1.63 H new ATOM 0 HD2 ARG A 36 -9.436 -8.110 -7.222 1.00 2.26 H new ATOM 0 HD3 ARG A 36 -8.064 -8.971 -7.892 1.00 2.26 H new ATOM 0 HE ARG A 36 -10.511 -10.144 -6.715 1.00 3.31 H new ATOM 0 HH11 ARG A 36 -7.230 -10.910 -7.906 1.00 4.86 H new ATOM 0 HH12 ARG A 36 -7.661 -12.606 -8.149 1.00 4.86 H new ATOM 0 HH21 ARG A 36 -10.933 -12.279 -7.077 1.00 5.45 H new ATOM 0 HH22 ARG A 36 -9.673 -13.351 -7.698 1.00 5.45 H new ATOM 538 N THR A 37 -6.230 -9.158 -2.958 1.00 0.71 N ATOM 539 CA THR A 37 -5.399 -10.172 -2.279 1.00 0.68 C ATOM 540 C THR A 37 -6.265 -11.339 -1.782 1.00 0.70 C ATOM 541 O THR A 37 -7.452 -11.122 -1.528 1.00 0.75 O ATOM 542 CB THR A 37 -4.634 -9.495 -1.134 1.00 0.68 C ATOM 543 OG1 THR A 37 -3.877 -10.451 -0.437 1.00 0.73 O ATOM 544 CG2 THR A 37 -5.515 -8.750 -0.127 1.00 0.73 C ATOM 0 H THR A 37 -7.189 -9.124 -2.612 1.00 0.71 H new ATOM 0 HA THR A 37 -4.678 -10.595 -2.979 1.00 0.68 H new ATOM 0 HB THR A 37 -4.004 -8.746 -1.614 1.00 0.68 H new ATOM 0 HG1 THR A 37 -3.074 -10.027 -0.068 1.00 0.73 H new ATOM 0 HG21 THR A 37 -4.888 -8.304 0.645 1.00 0.73 H new ATOM 0 HG22 THR A 37 -6.071 -7.966 -0.640 1.00 0.73 H new ATOM 0 HG23 THR A 37 -6.214 -9.449 0.332 1.00 0.73 H new ATOM 552 N PRO A 38 -5.715 -12.555 -1.580 1.00 0.75 N ATOM 553 CA PRO A 38 -6.415 -13.632 -0.886 1.00 0.82 C ATOM 554 C PRO A 38 -6.482 -13.453 0.632 1.00 0.80 C ATOM 555 O PRO A 38 -7.273 -14.147 1.265 1.00 0.97 O ATOM 556 CB PRO A 38 -5.620 -14.887 -1.229 1.00 0.91 C ATOM 557 CG PRO A 38 -4.191 -14.392 -1.411 1.00 0.88 C ATOM 558 CD PRO A 38 -4.422 -13.032 -2.063 1.00 0.82 C ATOM 0 HA PRO A 38 -7.457 -13.666 -1.204 1.00 0.82 H new ATOM 0 HB2 PRO A 38 -5.685 -15.629 -0.433 1.00 0.91 H new ATOM 0 HB3 PRO A 38 -5.995 -15.360 -2.137 1.00 0.91 H new ATOM 0 HG2 PRO A 38 -3.662 -14.307 -0.462 1.00 0.88 H new ATOM 0 HG3 PRO A 38 -3.604 -15.057 -2.045 1.00 0.88 H new ATOM 0 HD2 PRO A 38 -3.627 -12.335 -1.798 1.00 0.82 H new ATOM 0 HD3 PRO A 38 -4.421 -13.118 -3.150 1.00 0.82 H new ATOM 566 N VAL A 39 -5.647 -12.589 1.222 1.00 0.72 N ATOM 567 CA VAL A 39 -5.536 -12.477 2.698 1.00 0.76 C ATOM 568 C VAL A 39 -6.564 -11.546 3.356 1.00 0.79 C ATOM 569 O VAL A 39 -6.861 -11.714 4.538 1.00 1.02 O ATOM 570 CB VAL A 39 -4.119 -12.096 3.195 1.00 0.82 C ATOM 571 CG1 VAL A 39 -3.052 -12.962 2.508 1.00 0.89 C ATOM 572 CG2 VAL A 39 -3.781 -10.601 3.054 1.00 0.85 C ATOM 0 H VAL A 39 -5.035 -11.954 0.709 1.00 0.72 H new ATOM 0 HA VAL A 39 -5.759 -13.495 3.019 1.00 0.76 H new ATOM 0 HB VAL A 39 -4.118 -12.297 4.266 1.00 0.82 H new ATOM 0 HG11 VAL A 39 -2.064 -12.678 2.871 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -3.234 -14.012 2.735 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.099 -12.811 1.430 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -2.772 -10.420 3.425 1.00 0.85 H new ATOM 0 HG22 VAL A 39 -3.840 -10.312 2.005 1.00 0.85 H new ATOM 0 HG23 VAL A 39 -4.492 -10.011 3.633 1.00 0.85 H new ATOM 582 N ALA A 40 -7.115 -10.580 2.609 1.00 0.74 N ATOM 583 CA ALA A 40 -8.030 -9.554 3.115 1.00 0.74 C ATOM 584 C ALA A 40 -9.277 -9.413 2.247 1.00 0.74 C ATOM 585 O ALA A 40 -9.250 -9.714 1.052 1.00 0.95 O ATOM 586 CB ALA A 40 -7.304 -8.214 3.170 1.00 0.86 C ATOM 0 H ALA A 40 -6.930 -10.490 1.610 1.00 0.74 H new ATOM 0 HA ALA A 40 -8.351 -9.861 4.110 1.00 0.74 H new ATOM 0 HB1 ALA A 40 -7.982 -7.448 3.546 1.00 0.86 H new ATOM 0 HB2 ALA A 40 -6.443 -8.294 3.833 1.00 0.86 H new ATOM 0 HB3 ALA A 40 -6.967 -7.941 2.170 1.00 0.86 H new ATOM 592 N GLU A 41 -10.373 -8.980 2.866 1.00 0.77 N ATOM 593 CA GLU A 41 -11.642 -8.791 2.185 1.00 0.86 C ATOM 594 C GLU A 41 -11.699 -7.393 1.559 1.00 0.85 C ATOM 595 O GLU A 41 -11.252 -7.192 0.426 1.00 1.08 O ATOM 596 CB GLU A 41 -12.793 -9.129 3.159 1.00 0.94 C ATOM 597 CG GLU A 41 -14.107 -9.435 2.437 1.00 1.19 C ATOM 598 CD GLU A 41 -13.880 -10.581 1.454 1.00 1.88 C ATOM 599 OE1 GLU A 41 -13.582 -11.697 1.926 1.00 2.87 O ATOM 600 OE2 GLU A 41 -13.687 -10.326 0.248 1.00 2.74 O ATOM 0 H GLU A 41 -10.401 -8.750 3.859 1.00 0.77 H new ATOM 0 HA GLU A 41 -11.753 -9.476 1.345 1.00 0.86 H new ATOM 0 HB2 GLU A 41 -12.509 -9.988 3.767 1.00 0.94 H new ATOM 0 HB3 GLU A 41 -12.944 -8.292 3.841 1.00 0.94 H new ATOM 0 HG2 GLU A 41 -14.879 -9.705 3.158 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -14.461 -8.550 1.908 1.00 1.19 H new ATOM 607 N ARG A 42 -12.164 -6.393 2.313 1.00 0.87 N ATOM 608 CA ARG A 42 -12.211 -5.020 1.825 1.00 0.96 C ATOM 609 C ARG A 42 -10.831 -4.389 2.003 1.00 0.95 C ATOM 610 O ARG A 42 -10.537 -3.783 3.030 1.00 1.58 O ATOM 611 CB ARG A 42 -13.327 -4.207 2.501 1.00 1.15 C ATOM 612 CG ARG A 42 -13.504 -2.856 1.778 1.00 1.35 C ATOM 613 CD ARG A 42 -13.794 -1.687 2.721 1.00 1.45 C ATOM 614 NE ARG A 42 -15.142 -1.743 3.314 1.00 1.91 N ATOM 615 CZ ARG A 42 -15.726 -0.722 3.939 1.00 2.58 C ATOM 616 NH1 ARG A 42 -15.114 0.424 4.146 1.00 3.03 N ATOM 617 NH2 ARG A 42 -16.965 -0.836 4.367 1.00 3.55 N ATOM 0 H ARG A 42 -12.513 -6.513 3.264 1.00 0.87 H new ATOM 0 HA ARG A 42 -12.461 -5.020 0.764 1.00 0.96 H new ATOM 0 HB2 ARG A 42 -14.262 -4.767 2.478 1.00 1.15 H new ATOM 0 HB3 ARG A 42 -13.082 -4.039 3.550 1.00 1.15 H new ATOM 0 HG2 ARG A 42 -12.600 -2.637 1.210 1.00 1.35 H new ATOM 0 HG3 ARG A 42 -14.319 -2.943 1.060 1.00 1.35 H new ATOM 0 HD2 ARG A 42 -13.052 -1.680 3.520 1.00 1.45 H new ATOM 0 HD3 ARG A 42 -13.683 -0.751 2.174 1.00 1.45 H new ATOM 0 HE ARG A 42 -15.660 -2.619 3.241 1.00 1.91 H new ATOM 0 HH11 ARG A 42 -14.155 0.556 3.823 1.00 3.03 H new ATOM 0 HH12 ARG A 42 -15.598 1.181 4.629 1.00 3.03 H new ATOM 0 HH21 ARG A 42 -17.477 -1.706 4.220 1.00 3.55 H new ATOM 0 HH22 ARG A 42 -17.413 -0.055 4.846 1.00 3.55 H new ATOM 631 N VAL A 43 -9.997 -4.516 0.981 1.00 0.93 N ATOM 632 CA VAL A 43 -8.752 -3.742 0.845 1.00 0.87 C ATOM 633 C VAL A 43 -9.047 -2.284 0.428 1.00 0.89 C ATOM 634 O VAL A 43 -9.891 -2.047 -0.435 1.00 1.09 O ATOM 635 CB VAL A 43 -7.744 -4.452 -0.087 1.00 1.06 C ATOM 636 CG1 VAL A 43 -8.360 -4.861 -1.428 1.00 1.39 C ATOM 637 CG2 VAL A 43 -6.461 -3.633 -0.319 1.00 1.03 C ATOM 0 H VAL A 43 -10.159 -5.164 0.210 1.00 0.93 H new ATOM 0 HA VAL A 43 -8.271 -3.690 1.822 1.00 0.87 H new ATOM 0 HB VAL A 43 -7.466 -5.362 0.445 1.00 1.06 H new ATOM 0 HG11 VAL A 43 -7.605 -5.355 -2.040 1.00 1.39 H new ATOM 0 HG12 VAL A 43 -9.190 -5.546 -1.253 1.00 1.39 H new ATOM 0 HG13 VAL A 43 -8.724 -3.974 -1.947 1.00 1.39 H new ATOM 0 HG21 VAL A 43 -5.793 -4.184 -0.981 1.00 1.03 H new ATOM 0 HG22 VAL A 43 -6.717 -2.677 -0.775 1.00 1.03 H new ATOM 0 HG23 VAL A 43 -5.964 -3.458 0.635 1.00 1.03 H new ATOM 647 N GLU A 44 -8.356 -1.316 1.040 1.00 0.78 N ATOM 648 CA GLU A 44 -8.425 0.129 0.743 1.00 0.76 C ATOM 649 C GLU A 44 -7.008 0.726 0.740 1.00 0.76 C ATOM 650 O GLU A 44 -6.209 0.385 1.612 1.00 0.86 O ATOM 651 CB GLU A 44 -9.220 0.889 1.827 1.00 0.70 C ATOM 652 CG GLU A 44 -10.681 0.463 2.039 1.00 0.79 C ATOM 653 CD GLU A 44 -11.363 1.226 3.188 1.00 1.01 C ATOM 654 OE1 GLU A 44 -10.806 2.234 3.680 1.00 1.92 O ATOM 655 OE2 GLU A 44 -12.473 0.791 3.575 1.00 2.20 O ATOM 0 H GLU A 44 -7.700 -1.523 1.793 1.00 0.78 H new ATOM 0 HA GLU A 44 -8.913 0.234 -0.226 1.00 0.76 H new ATOM 0 HB2 GLU A 44 -8.693 0.779 2.775 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -9.208 1.950 1.576 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -11.240 0.627 1.118 1.00 0.79 H new ATOM 0 HG3 GLU A 44 -10.716 -0.606 2.247 1.00 0.79 H new ATOM 662 N LEU A 45 -6.665 1.641 -0.179 1.00 0.70 N ATOM 663 CA LEU A 45 -5.435 2.422 -0.090 1.00 0.70 C ATOM 664 C LEU A 45 -5.637 3.706 0.724 1.00 0.67 C ATOM 665 O LEU A 45 -6.456 4.565 0.377 1.00 0.67 O ATOM 666 CB LEU A 45 -4.926 2.694 -1.511 1.00 0.72 C ATOM 667 CG LEU A 45 -3.445 3.105 -1.493 1.00 0.75 C ATOM 668 CD1 LEU A 45 -2.790 2.710 -2.805 1.00 0.73 C ATOM 669 CD2 LEU A 45 -3.236 4.612 -1.364 1.00 0.84 C ATOM 0 H LEU A 45 -7.233 1.855 -0.999 1.00 0.70 H new ATOM 0 HA LEU A 45 -4.676 1.855 0.450 1.00 0.70 H new ATOM 0 HB2 LEU A 45 -5.053 1.802 -2.124 1.00 0.72 H new ATOM 0 HB3 LEU A 45 -5.521 3.483 -1.970 1.00 0.72 H new ATOM 0 HG LEU A 45 -3.013 2.602 -0.628 1.00 0.75 H new ATOM 0 HD11 LEU A 45 -1.740 3.002 -2.790 1.00 0.73 H new ATOM 0 HD12 LEU A 45 -2.864 1.631 -2.938 1.00 0.73 H new ATOM 0 HD13 LEU A 45 -3.295 3.213 -3.630 1.00 0.73 H new ATOM 0 HD21 LEU A 45 -2.168 4.832 -1.358 1.00 0.84 H new ATOM 0 HD22 LEU A 45 -3.706 5.118 -2.207 1.00 0.84 H new ATOM 0 HD23 LEU A 45 -3.684 4.963 -0.435 1.00 0.84 H new ATOM 681 N HIS A 46 -4.846 3.845 1.786 1.00 0.65 N ATOM 682 CA HIS A 46 -4.787 5.025 2.646 1.00 0.62 C ATOM 683 C HIS A 46 -3.468 5.817 2.477 1.00 0.62 C ATOM 684 O HIS A 46 -2.433 5.283 2.059 1.00 0.63 O ATOM 685 CB HIS A 46 -5.004 4.614 4.120 1.00 0.63 C ATOM 686 CG HIS A 46 -6.416 4.288 4.563 1.00 0.60 C ATOM 687 ND1 HIS A 46 -6.925 4.592 5.831 1.00 0.63 N ATOM 688 CD2 HIS A 46 -7.414 3.691 3.842 1.00 0.64 C ATOM 689 CE1 HIS A 46 -8.188 4.133 5.846 1.00 0.65 C ATOM 690 NE2 HIS A 46 -8.501 3.566 4.672 1.00 0.63 N ATOM 0 H HIS A 46 -4.204 3.110 2.082 1.00 0.65 H new ATOM 0 HA HIS A 46 -5.589 5.696 2.340 1.00 0.62 H new ATOM 0 HB2 HIS A 46 -4.381 3.742 4.320 1.00 0.63 H new ATOM 0 HB3 HIS A 46 -4.633 5.422 4.751 1.00 0.63 H new ATOM 0 HD2 HIS A 46 -7.357 3.376 2.810 1.00 0.64 H new ATOM 0 HE1 HIS A 46 -8.859 4.210 6.689 1.00 0.65 H new ATOM 0 HE2 HIS A 46 -9.388 3.121 4.437 1.00 0.63 H new ATOM 698 N GLU A 47 -3.532 7.104 2.820 1.00 0.62 N ATOM 699 CA GLU A 47 -2.408 8.046 2.874 1.00 0.60 C ATOM 700 C GLU A 47 -2.034 8.418 4.324 1.00 0.48 C ATOM 701 O GLU A 47 -2.667 7.978 5.289 1.00 0.53 O ATOM 702 CB GLU A 47 -2.747 9.315 2.067 1.00 0.77 C ATOM 703 CG GLU A 47 -3.873 10.150 2.699 1.00 0.72 C ATOM 704 CD GLU A 47 -4.037 11.535 2.070 1.00 1.06 C ATOM 705 OE1 GLU A 47 -3.036 12.083 1.564 1.00 1.93 O ATOM 706 OE2 GLU A 47 -5.154 12.089 2.197 1.00 1.75 O ATOM 0 H GLU A 47 -4.415 7.543 3.082 1.00 0.62 H new ATOM 0 HA GLU A 47 -1.542 7.554 2.432 1.00 0.60 H new ATOM 0 HB2 GLU A 47 -1.852 9.931 1.978 1.00 0.77 H new ATOM 0 HB3 GLU A 47 -3.039 9.028 1.057 1.00 0.77 H new ATOM 0 HG2 GLU A 47 -4.813 9.605 2.608 1.00 0.72 H new ATOM 0 HG3 GLU A 47 -3.674 10.266 3.764 1.00 0.72 H new ATOM 713 N THR A 48 -1.037 9.294 4.476 1.00 0.62 N ATOM 714 CA THR A 48 -0.735 10.051 5.693 1.00 0.81 C ATOM 715 C THR A 48 -0.385 11.480 5.286 1.00 1.08 C ATOM 716 O THR A 48 0.732 11.747 4.850 1.00 1.11 O ATOM 717 CB THR A 48 0.408 9.405 6.473 1.00 0.97 C ATOM 718 OG1 THR A 48 0.016 8.096 6.801 1.00 1.01 O ATOM 719 CG2 THR A 48 0.716 10.141 7.776 1.00 1.32 C ATOM 0 H THR A 48 -0.388 9.504 3.718 1.00 0.62 H new ATOM 0 HA THR A 48 -1.603 10.055 6.353 1.00 0.81 H new ATOM 0 HB THR A 48 1.302 9.434 5.850 1.00 0.97 H new ATOM 0 HG1 THR A 48 0.734 7.656 7.302 1.00 1.01 H new ATOM 0 HG21 THR A 48 1.536 9.641 8.291 1.00 1.32 H new ATOM 0 HG22 THR A 48 1.000 11.170 7.554 1.00 1.32 H new ATOM 0 HG23 THR A 48 -0.168 10.138 8.413 1.00 1.32 H new ATOM 727 N PHE A 49 -1.342 12.395 5.432 1.00 1.46 N ATOM 728 CA PHE A 49 -1.200 13.812 5.104 1.00 1.62 C ATOM 729 C PHE A 49 -0.745 14.635 6.318 1.00 1.64 C ATOM 730 O PHE A 49 -1.029 14.305 7.469 1.00 1.65 O ATOM 731 CB PHE A 49 -2.516 14.346 4.507 1.00 1.65 C ATOM 732 CG PHE A 49 -3.742 14.295 5.408 1.00 1.60 C ATOM 733 CD1 PHE A 49 -4.538 13.135 5.458 1.00 2.33 C ATOM 734 CD2 PHE A 49 -4.118 15.418 6.172 1.00 2.27 C ATOM 735 CE1 PHE A 49 -5.679 13.086 6.273 1.00 2.30 C ATOM 736 CE2 PHE A 49 -5.270 15.379 6.975 1.00 2.32 C ATOM 737 CZ PHE A 49 -6.048 14.210 7.025 1.00 1.62 C ATOM 0 H PHE A 49 -2.267 12.163 5.793 1.00 1.46 H new ATOM 0 HA PHE A 49 -0.416 13.916 4.353 1.00 1.62 H new ATOM 0 HB2 PHE A 49 -2.358 15.381 4.205 1.00 1.65 H new ATOM 0 HB3 PHE A 49 -2.734 13.779 3.602 1.00 1.65 H new ATOM 0 HD1 PHE A 49 -4.268 12.275 4.863 1.00 2.33 H new ATOM 0 HD2 PHE A 49 -3.517 16.314 6.140 1.00 2.27 H new ATOM 0 HE1 PHE A 49 -6.272 12.184 6.321 1.00 2.30 H new ATOM 0 HE2 PHE A 49 -5.557 16.245 7.552 1.00 2.32 H new ATOM 0 HZ PHE A 49 -6.932 14.177 7.644 1.00 1.62 H new ATOM 747 N MET A 50 -0.070 15.759 6.065 1.00 1.71 N ATOM 748 CA MET A 50 0.291 16.744 7.098 1.00 1.71 C ATOM 749 C MET A 50 -0.804 17.804 7.289 1.00 1.48 C ATOM 750 O MET A 50 -1.609 18.040 6.390 1.00 1.96 O ATOM 751 CB MET A 50 1.661 17.368 6.791 1.00 2.20 C ATOM 752 CG MET A 50 1.718 18.145 5.469 1.00 3.53 C ATOM 753 SD MET A 50 3.282 19.018 5.204 1.00 4.15 S ATOM 754 CE MET A 50 4.384 17.616 4.891 1.00 3.46 C ATOM 0 H MET A 50 0.246 16.017 5.130 1.00 1.71 H new ATOM 0 HA MET A 50 0.372 16.220 8.050 1.00 1.71 H new ATOM 0 HB2 MET A 50 1.932 18.039 7.606 1.00 2.20 H new ATOM 0 HB3 MET A 50 2.410 16.577 6.767 1.00 2.20 H new ATOM 0 HG2 MET A 50 1.554 17.452 4.643 1.00 3.53 H new ATOM 0 HG3 MET A 50 0.901 18.866 5.446 1.00 3.53 H new ATOM 0 HE1 MET A 50 5.358 17.984 4.569 1.00 3.46 H new ATOM 0 HE2 MET A 50 4.500 17.033 5.805 1.00 3.46 H new ATOM 0 HE3 MET A 50 3.958 16.985 4.111 1.00 3.46 H new ATOM 764 N ARG A 51 -0.833 18.443 8.466 1.00 1.27 N ATOM 765 CA ARG A 51 -1.835 19.447 8.853 1.00 1.14 C ATOM 766 C ARG A 51 -1.399 20.292 10.060 1.00 1.33 C ATOM 767 O ARG A 51 -0.661 19.818 10.930 1.00 1.62 O ATOM 768 CB ARG A 51 -3.201 18.779 9.130 1.00 1.25 C ATOM 769 CG ARG A 51 -3.132 17.677 10.202 1.00 3.21 C ATOM 770 CD ARG A 51 -4.511 17.236 10.689 1.00 4.01 C ATOM 771 NE ARG A 51 -4.382 16.007 11.490 1.00 6.26 N ATOM 772 CZ ARG A 51 -5.205 15.525 12.409 1.00 7.73 C ATOM 773 NH1 ARG A 51 -6.299 16.153 12.793 1.00 7.72 N ATOM 774 NH2 ARG A 51 -4.903 14.362 12.940 1.00 9.73 N ATOM 0 H ARG A 51 -0.141 18.272 9.196 1.00 1.27 H new ATOM 0 HA ARG A 51 -1.933 20.128 8.008 1.00 1.14 H new ATOM 0 HB2 ARG A 51 -3.913 19.541 9.447 1.00 1.25 H new ATOM 0 HB3 ARG A 51 -3.583 18.352 8.203 1.00 1.25 H new ATOM 0 HG2 ARG A 51 -2.602 16.815 9.796 1.00 3.21 H new ATOM 0 HG3 ARG A 51 -2.551 18.038 11.050 1.00 3.21 H new ATOM 0 HD2 ARG A 51 -4.966 18.026 11.287 1.00 4.01 H new ATOM 0 HD3 ARG A 51 -5.169 17.060 9.838 1.00 4.01 H new ATOM 0 HE ARG A 51 -3.545 15.451 11.313 1.00 6.26 H new ATOM 0 HH11 ARG A 51 -6.543 17.052 12.378 1.00 7.72 H new ATOM 0 HH12 ARG A 51 -6.901 15.740 13.505 1.00 7.72 H new ATOM 0 HH21 ARG A 51 -4.062 13.868 12.641 1.00 9.73 H new ATOM 0 HH22 ARG A 51 -5.509 13.953 13.651 1.00 9.73 H new ATOM 788 N GLU A 52 -1.924 21.511 10.128 1.00 1.30 N ATOM 789 CA GLU A 52 -2.095 22.258 11.376 1.00 1.30 C ATOM 790 C GLU A 52 -3.364 21.809 12.106 1.00 1.31 C ATOM 791 O GLU A 52 -4.150 21.010 11.595 1.00 1.60 O ATOM 792 CB GLU A 52 -2.161 23.766 11.099 1.00 1.42 C ATOM 793 CG GLU A 52 -0.779 24.338 10.812 1.00 2.10 C ATOM 794 CD GLU A 52 0.183 24.367 11.999 1.00 2.68 C ATOM 795 OE1 GLU A 52 -0.188 23.946 13.118 1.00 3.56 O ATOM 796 OE2 GLU A 52 1.330 24.814 11.794 1.00 3.66 O ATOM 0 H GLU A 52 -2.249 22.019 9.305 1.00 1.30 H new ATOM 0 HA GLU A 52 -1.233 22.053 12.011 1.00 1.30 H new ATOM 0 HB2 GLU A 52 -2.818 23.953 10.249 1.00 1.42 H new ATOM 0 HB3 GLU A 52 -2.597 24.277 11.958 1.00 1.42 H new ATOM 0 HG2 GLU A 52 -0.323 23.755 10.012 1.00 2.10 H new ATOM 0 HG3 GLU A 52 -0.897 25.355 10.438 1.00 2.10 H new ATOM 803 N VAL A 53 -3.555 22.385 13.286 1.00 1.42 N ATOM 804 CA VAL A 53 -4.802 22.366 14.071 1.00 1.57 C ATOM 805 C VAL A 53 -4.907 23.743 14.765 1.00 1.91 C ATOM 806 O VAL A 53 -4.853 24.766 14.086 1.00 3.13 O ATOM 807 CB VAL A 53 -4.902 21.139 15.028 1.00 1.83 C ATOM 808 CG1 VAL A 53 -6.340 20.970 15.557 1.00 1.92 C ATOM 809 CG2 VAL A 53 -4.518 19.782 14.405 1.00 2.65 C ATOM 0 H VAL A 53 -2.813 22.906 13.753 1.00 1.42 H new ATOM 0 HA VAL A 53 -5.670 22.224 13.427 1.00 1.57 H new ATOM 0 HB VAL A 53 -4.182 21.375 15.812 1.00 1.83 H new ATOM 0 HG11 VAL A 53 -6.384 20.108 16.222 1.00 1.92 H new ATOM 0 HG12 VAL A 53 -6.634 21.866 16.104 1.00 1.92 H new ATOM 0 HG13 VAL A 53 -7.020 20.817 14.719 1.00 1.92 H new ATOM 0 HG21 VAL A 53 -4.622 18.996 15.153 1.00 2.65 H new ATOM 0 HG22 VAL A 53 -5.175 19.570 13.562 1.00 2.65 H new ATOM 0 HG23 VAL A 53 -3.485 19.820 14.059 1.00 2.65 H new ATOM 819 N GLU A 54 -4.985 23.796 16.097 1.00 1.55 N ATOM 820 CA GLU A 54 -4.923 24.990 16.951 1.00 1.69 C ATOM 821 C GLU A 54 -3.475 25.528 17.009 1.00 1.63 C ATOM 822 O GLU A 54 -2.801 25.443 18.032 1.00 1.74 O ATOM 823 CB GLU A 54 -5.460 24.545 18.324 1.00 1.87 C ATOM 824 CG GLU A 54 -5.616 25.616 19.419 1.00 2.75 C ATOM 825 CD GLU A 54 -5.411 24.976 20.794 1.00 2.86 C ATOM 826 OE1 GLU A 54 -5.851 23.816 20.987 1.00 2.89 O ATOM 827 OE2 GLU A 54 -4.605 25.493 21.597 1.00 3.62 O ATOM 0 H GLU A 54 -5.101 22.946 16.649 1.00 1.55 H new ATOM 0 HA GLU A 54 -5.522 25.817 16.569 1.00 1.69 H new ATOM 0 HB2 GLU A 54 -6.434 24.082 18.168 1.00 1.87 H new ATOM 0 HB3 GLU A 54 -4.797 23.770 18.707 1.00 1.87 H new ATOM 0 HG2 GLU A 54 -4.891 26.415 19.267 1.00 2.75 H new ATOM 0 HG3 GLU A 54 -6.606 26.069 19.361 1.00 2.75 H new ATOM 834 N GLY A 55 -2.927 25.948 15.859 1.00 1.66 N ATOM 835 CA GLY A 55 -1.528 26.381 15.690 1.00 1.75 C ATOM 836 C GLY A 55 -0.470 25.293 15.933 1.00 1.67 C ATOM 837 O GLY A 55 0.729 25.572 15.867 1.00 2.05 O ATOM 0 H GLY A 55 -3.461 25.998 14.992 1.00 1.66 H new ATOM 0 HA2 GLY A 55 -1.404 26.766 14.678 1.00 1.75 H new ATOM 0 HA3 GLY A 55 -1.336 27.210 16.372 1.00 1.75 H new ATOM 841 N LYS A 56 -0.900 24.064 16.228 1.00 1.39 N ATOM 842 CA LYS A 56 -0.103 22.890 16.516 1.00 1.41 C ATOM 843 C LYS A 56 -0.236 21.865 15.377 1.00 1.26 C ATOM 844 O LYS A 56 -1.339 21.524 14.951 1.00 1.12 O ATOM 845 CB LYS A 56 -0.544 22.360 17.891 1.00 1.51 C ATOM 846 CG LYS A 56 -2.032 21.968 18.035 1.00 2.29 C ATOM 847 CD LYS A 56 -2.503 21.815 19.493 1.00 2.57 C ATOM 848 CE LYS A 56 -2.455 23.151 20.253 1.00 2.41 C ATOM 849 NZ LYS A 56 -3.276 23.146 21.487 1.00 2.64 N ATOM 0 H LYS A 56 -1.898 23.858 16.273 1.00 1.39 H new ATOM 0 HA LYS A 56 0.961 23.121 16.568 1.00 1.41 H new ATOM 0 HB2 LYS A 56 0.063 21.487 18.131 1.00 1.51 H new ATOM 0 HB3 LYS A 56 -0.318 23.121 18.638 1.00 1.51 H new ATOM 0 HG2 LYS A 56 -2.645 22.724 17.544 1.00 2.29 H new ATOM 0 HG3 LYS A 56 -2.202 21.029 17.509 1.00 2.29 H new ATOM 0 HD2 LYS A 56 -3.521 21.426 19.507 1.00 2.57 H new ATOM 0 HD3 LYS A 56 -1.875 21.084 20.003 1.00 2.57 H new ATOM 0 HE2 LYS A 56 -1.421 23.378 20.512 1.00 2.41 H new ATOM 0 HE3 LYS A 56 -2.801 23.949 19.596 1.00 2.41 H new ATOM 0 HZ1 LYS A 56 -3.300 24.104 21.892 1.00 2.64 H new ATOM 0 HZ2 LYS A 56 -4.244 22.842 21.259 1.00 2.64 H new ATOM 0 HZ3 LYS A 56 -2.861 22.489 22.178 1.00 2.64 H new ATOM 863 N LYS A 57 0.903 21.376 14.880 1.00 1.40 N ATOM 864 CA LYS A 57 0.983 20.595 13.639 1.00 1.38 C ATOM 865 C LYS A 57 1.076 19.085 13.901 1.00 1.42 C ATOM 866 O LYS A 57 1.669 18.660 14.888 1.00 1.66 O ATOM 867 CB LYS A 57 2.096 21.121 12.704 1.00 1.87 C ATOM 868 CG LYS A 57 3.466 21.450 13.343 1.00 2.22 C ATOM 869 CD LYS A 57 3.775 22.961 13.338 1.00 3.21 C ATOM 870 CE LYS A 57 2.831 23.737 14.265 1.00 4.35 C ATOM 871 NZ LYS A 57 2.798 25.185 13.978 1.00 5.55 N ATOM 0 H LYS A 57 1.807 21.512 15.332 1.00 1.40 H new ATOM 0 HA LYS A 57 0.043 20.739 13.107 1.00 1.38 H new ATOM 0 HB2 LYS A 57 2.258 20.379 11.923 1.00 1.87 H new ATOM 0 HB3 LYS A 57 1.727 22.023 12.215 1.00 1.87 H new ATOM 0 HG2 LYS A 57 3.482 21.083 14.369 1.00 2.22 H new ATOM 0 HG3 LYS A 57 4.251 20.921 12.803 1.00 2.22 H new ATOM 0 HD2 LYS A 57 4.806 23.122 13.651 1.00 3.21 H new ATOM 0 HD3 LYS A 57 3.686 23.347 12.323 1.00 3.21 H new ATOM 0 HE2 LYS A 57 1.824 23.331 14.171 1.00 4.35 H new ATOM 0 HE3 LYS A 57 3.140 23.585 15.299 1.00 4.35 H new ATOM 0 HZ1 LYS A 57 2.118 25.649 14.614 1.00 5.55 H new ATOM 0 HZ2 LYS A 57 3.744 25.590 14.127 1.00 5.55 H new ATOM 0 HZ3 LYS A 57 2.508 25.337 12.991 1.00 5.55 H new ATOM 885 N VAL A 58 0.449 18.293 13.027 1.00 1.40 N ATOM 886 CA VAL A 58 0.164 16.857 13.217 1.00 1.50 C ATOM 887 C VAL A 58 0.088 16.166 11.845 1.00 1.45 C ATOM 888 O VAL A 58 -0.112 16.831 10.827 1.00 1.45 O ATOM 889 CB VAL A 58 -1.167 16.620 13.998 1.00 1.51 C ATOM 890 CG1 VAL A 58 -1.187 15.245 14.694 1.00 2.11 C ATOM 891 CG2 VAL A 58 -1.485 17.658 15.094 1.00 1.71 C ATOM 0 H VAL A 58 0.110 18.642 12.131 1.00 1.40 H new ATOM 0 HA VAL A 58 0.973 16.433 13.811 1.00 1.50 H new ATOM 0 HB VAL A 58 -1.919 16.700 13.213 1.00 1.51 H new ATOM 0 HG11 VAL A 58 -2.130 15.120 15.226 1.00 2.11 H new ATOM 0 HG12 VAL A 58 -1.085 14.458 13.947 1.00 2.11 H new ATOM 0 HG13 VAL A 58 -0.360 15.183 15.402 1.00 2.11 H new ATOM 0 HG21 VAL A 58 -2.429 17.402 15.575 1.00 1.71 H new ATOM 0 HG22 VAL A 58 -0.688 17.658 15.837 1.00 1.71 H new ATOM 0 HG23 VAL A 58 -1.563 18.648 14.645 1.00 1.71 H new ATOM 901 N MET A 59 0.202 14.836 11.810 1.00 1.53 N ATOM 902 CA MET A 59 -0.220 14.010 10.670 1.00 1.47 C ATOM 903 C MET A 59 -1.725 13.674 10.725 1.00 1.58 C ATOM 904 O MET A 59 -2.393 13.930 11.730 1.00 2.06 O ATOM 905 CB MET A 59 0.646 12.745 10.613 1.00 1.63 C ATOM 906 CG MET A 59 0.389 11.780 11.781 1.00 2.42 C ATOM 907 SD MET A 59 1.807 10.733 12.182 1.00 3.50 S ATOM 908 CE MET A 59 2.840 11.973 13.004 1.00 3.19 C ATOM 0 H MET A 59 0.594 14.294 12.580 1.00 1.53 H new ATOM 0 HA MET A 59 -0.073 14.579 9.752 1.00 1.47 H new ATOM 0 HB2 MET A 59 0.457 12.226 9.673 1.00 1.63 H new ATOM 0 HB3 MET A 59 1.697 13.032 10.613 1.00 1.63 H new ATOM 0 HG2 MET A 59 0.113 12.357 12.664 1.00 2.42 H new ATOM 0 HG3 MET A 59 -0.463 11.145 11.536 1.00 2.42 H new ATOM 0 HE1 MET A 59 3.844 11.949 12.581 1.00 3.19 H new ATOM 0 HE2 MET A 59 2.408 12.963 12.856 1.00 3.19 H new ATOM 0 HE3 MET A 59 2.891 11.755 14.071 1.00 3.19 H new ATOM 918 N GLY A 60 -2.272 13.083 9.669 1.00 1.41 N ATOM 919 CA GLY A 60 -3.607 12.480 9.628 1.00 1.52 C ATOM 920 C GLY A 60 -3.682 11.406 8.549 1.00 1.27 C ATOM 921 O GLY A 60 -3.015 11.527 7.531 1.00 1.49 O ATOM 0 H GLY A 60 -1.780 13.006 8.779 1.00 1.41 H new ATOM 0 HA2 GLY A 60 -3.844 12.044 10.599 1.00 1.52 H new ATOM 0 HA3 GLY A 60 -4.353 13.250 9.433 1.00 1.52 H new ATOM 925 N MET A 61 -4.502 10.380 8.761 1.00 1.00 N ATOM 926 CA MET A 61 -4.707 9.275 7.816 1.00 0.78 C ATOM 927 C MET A 61 -6.129 9.321 7.247 1.00 0.74 C ATOM 928 O MET A 61 -7.042 9.860 7.881 1.00 0.92 O ATOM 929 CB MET A 61 -4.444 7.923 8.503 1.00 0.89 C ATOM 930 CG MET A 61 -2.980 7.718 8.925 1.00 1.02 C ATOM 931 SD MET A 61 -2.397 8.689 10.347 1.00 1.98 S ATOM 932 CE MET A 61 -0.715 8.030 10.440 1.00 1.81 C ATOM 0 H MET A 61 -5.057 10.287 9.612 1.00 1.00 H new ATOM 0 HA MET A 61 -4.000 9.385 6.994 1.00 0.78 H new ATOM 0 HB2 MET A 61 -5.081 7.843 9.384 1.00 0.89 H new ATOM 0 HB3 MET A 61 -4.734 7.119 7.826 1.00 0.89 H new ATOM 0 HG2 MET A 61 -2.836 6.662 9.152 1.00 1.02 H new ATOM 0 HG3 MET A 61 -2.344 7.950 8.071 1.00 1.02 H new ATOM 0 HE1 MET A 61 -0.115 8.657 11.099 1.00 1.81 H new ATOM 0 HE2 MET A 61 -0.744 7.014 10.833 1.00 1.81 H new ATOM 0 HE3 MET A 61 -0.272 8.022 9.444 1.00 1.81 H new ATOM 942 N ARG A 62 -6.316 8.744 6.060 1.00 0.62 N ATOM 943 CA ARG A 62 -7.602 8.562 5.369 1.00 0.61 C ATOM 944 C ARG A 62 -7.400 7.605 4.184 1.00 0.59 C ATOM 945 O ARG A 62 -6.270 7.531 3.689 1.00 0.67 O ATOM 946 CB ARG A 62 -8.205 9.906 4.888 1.00 0.88 C ATOM 947 CG ARG A 62 -7.360 10.635 3.825 1.00 2.07 C ATOM 948 CD ARG A 62 -8.145 11.661 2.999 1.00 2.29 C ATOM 949 NE ARG A 62 -8.506 12.884 3.743 1.00 2.34 N ATOM 950 CZ ARG A 62 -7.888 14.058 3.639 1.00 3.48 C ATOM 951 NH1 ARG A 62 -6.713 14.192 3.064 1.00 4.34 N ATOM 952 NH2 ARG A 62 -8.482 15.136 4.110 1.00 4.87 N ATOM 0 H ARG A 62 -5.535 8.369 5.522 1.00 0.62 H new ATOM 0 HA ARG A 62 -8.314 8.137 6.076 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -9.199 9.720 4.481 1.00 0.88 H new ATOM 0 HB3 ARG A 62 -8.331 10.563 5.749 1.00 0.88 H new ATOM 0 HG2 ARG A 62 -6.530 11.140 4.319 1.00 2.07 H new ATOM 0 HG3 ARG A 62 -6.927 9.896 3.151 1.00 2.07 H new ATOM 0 HD2 ARG A 62 -7.552 11.940 2.128 1.00 2.29 H new ATOM 0 HD3 ARG A 62 -9.056 11.192 2.628 1.00 2.29 H new ATOM 0 HE ARG A 62 -9.293 12.824 4.389 1.00 2.34 H new ATOM 0 HH11 ARG A 62 -6.239 13.376 2.676 1.00 4.34 H new ATOM 0 HH12 ARG A 62 -6.275 15.112 3.006 1.00 4.34 H new ATOM 0 HH21 ARG A 62 -9.401 15.062 4.546 1.00 4.87 H new ATOM 0 HH22 ARG A 62 -8.023 16.044 4.039 1.00 4.87 H new ATOM 966 N PRO A 63 -8.455 6.947 3.660 1.00 0.59 N ATOM 967 CA PRO A 63 -8.399 6.394 2.322 1.00 0.57 C ATOM 968 C PRO A 63 -8.342 7.514 1.287 1.00 0.56 C ATOM 969 O PRO A 63 -8.818 8.626 1.527 1.00 0.55 O ATOM 970 CB PRO A 63 -9.618 5.500 2.135 1.00 0.60 C ATOM 971 CG PRO A 63 -10.501 5.764 3.351 1.00 0.74 C ATOM 972 CD PRO A 63 -9.796 6.828 4.200 1.00 0.61 C ATOM 0 HA PRO A 63 -7.496 5.799 2.184 1.00 0.57 H new ATOM 0 HB2 PRO A 63 -10.142 5.738 1.209 1.00 0.60 H new ATOM 0 HB3 PRO A 63 -9.331 4.450 2.078 1.00 0.60 H new ATOM 0 HG2 PRO A 63 -11.488 6.110 3.042 1.00 0.74 H new ATOM 0 HG3 PRO A 63 -10.649 4.849 3.925 1.00 0.74 H new ATOM 0 HD2 PRO A 63 -10.323 7.781 4.148 1.00 0.61 H new ATOM 0 HD3 PRO A 63 -9.769 6.535 5.250 1.00 0.61 H new ATOM 980 N VAL A 64 -7.774 7.187 0.130 1.00 0.60 N ATOM 981 CA VAL A 64 -7.713 8.049 -1.060 1.00 0.61 C ATOM 982 C VAL A 64 -8.334 7.322 -2.262 1.00 0.64 C ATOM 983 O VAL A 64 -8.353 6.090 -2.272 1.00 0.64 O ATOM 984 CB VAL A 64 -6.265 8.479 -1.398 1.00 0.62 C ATOM 985 CG1 VAL A 64 -5.825 9.624 -0.482 1.00 0.70 C ATOM 986 CG2 VAL A 64 -5.252 7.326 -1.321 1.00 0.68 C ATOM 0 H VAL A 64 -7.325 6.283 -0.016 1.00 0.60 H new ATOM 0 HA VAL A 64 -8.280 8.953 -0.838 1.00 0.61 H new ATOM 0 HB VAL A 64 -6.278 8.814 -2.435 1.00 0.62 H new ATOM 0 HG11 VAL A 64 -4.805 9.917 -0.730 1.00 0.70 H new ATOM 0 HG12 VAL A 64 -6.491 10.476 -0.619 1.00 0.70 H new ATOM 0 HG13 VAL A 64 -5.866 9.295 0.556 1.00 0.70 H new ATOM 0 HG21 VAL A 64 -4.258 7.698 -1.570 1.00 0.68 H new ATOM 0 HG22 VAL A 64 -5.244 6.916 -0.311 1.00 0.68 H new ATOM 0 HG23 VAL A 64 -5.535 6.546 -2.028 1.00 0.68 H new ATOM 996 N PRO A 65 -8.814 8.056 -3.286 1.00 0.68 N ATOM 997 CA PRO A 65 -9.340 7.454 -4.506 1.00 0.71 C ATOM 998 C PRO A 65 -8.251 6.790 -5.360 1.00 0.69 C ATOM 999 O PRO A 65 -8.605 5.997 -6.228 1.00 0.68 O ATOM 1000 CB PRO A 65 -10.021 8.601 -5.260 1.00 0.76 C ATOM 1001 CG PRO A 65 -9.228 9.829 -4.821 1.00 0.75 C ATOM 1002 CD PRO A 65 -8.911 9.510 -3.361 1.00 0.71 C ATOM 0 HA PRO A 65 -10.033 6.646 -4.271 1.00 0.71 H new ATOM 0 HB2 PRO A 65 -9.974 8.457 -6.339 1.00 0.76 H new ATOM 0 HB3 PRO A 65 -11.075 8.687 -4.995 1.00 0.76 H new ATOM 0 HG2 PRO A 65 -8.323 9.961 -5.414 1.00 0.75 H new ATOM 0 HG3 PRO A 65 -9.810 10.745 -4.920 1.00 0.75 H new ATOM 0 HD2 PRO A 65 -7.978 9.981 -3.051 1.00 0.71 H new ATOM 0 HD3 PRO A 65 -9.692 9.885 -2.700 1.00 0.71 H new ATOM 1010 N PHE A 66 -6.959 7.095 -5.128 1.00 0.70 N ATOM 1011 CA PHE A 66 -5.813 6.586 -5.881 1.00 0.68 C ATOM 1012 C PHE A 66 -4.502 7.134 -5.304 1.00 0.71 C ATOM 1013 O PHE A 66 -4.480 8.100 -4.541 1.00 0.81 O ATOM 1014 CB PHE A 66 -5.921 6.891 -7.392 1.00 0.66 C ATOM 1015 CG PHE A 66 -6.048 8.354 -7.773 1.00 0.71 C ATOM 1016 CD1 PHE A 66 -4.911 9.184 -7.814 1.00 1.52 C ATOM 1017 CD2 PHE A 66 -7.308 8.882 -8.116 1.00 1.88 C ATOM 1018 CE1 PHE A 66 -5.034 10.533 -8.185 1.00 1.56 C ATOM 1019 CE2 PHE A 66 -7.429 10.231 -8.494 1.00 1.93 C ATOM 1020 CZ PHE A 66 -6.292 11.058 -8.529 1.00 0.89 C ATOM 0 H PHE A 66 -6.682 7.729 -4.379 1.00 0.70 H new ATOM 0 HA PHE A 66 -5.815 5.501 -5.777 1.00 0.68 H new ATOM 0 HB2 PHE A 66 -5.040 6.483 -7.888 1.00 0.66 H new ATOM 0 HB3 PHE A 66 -6.785 6.358 -7.788 1.00 0.66 H new ATOM 0 HD1 PHE A 66 -3.942 8.782 -7.559 1.00 1.52 H new ATOM 0 HD2 PHE A 66 -8.183 8.249 -8.089 1.00 1.88 H new ATOM 0 HE1 PHE A 66 -4.161 11.168 -8.206 1.00 1.56 H new ATOM 0 HE2 PHE A 66 -8.396 10.633 -8.758 1.00 1.93 H new ATOM 0 HZ PHE A 66 -6.385 12.094 -8.819 1.00 0.89 H new ATOM 1030 N LEU A 67 -3.408 6.526 -5.753 1.00 0.67 N ATOM 1031 CA LEU A 67 -2.046 7.046 -5.749 1.00 0.71 C ATOM 1032 C LEU A 67 -1.551 7.174 -7.197 1.00 0.63 C ATOM 1033 O LEU A 67 -2.176 6.657 -8.123 1.00 0.57 O ATOM 1034 CB LEU A 67 -1.150 6.070 -4.959 1.00 0.78 C ATOM 1035 CG LEU A 67 -0.557 6.690 -3.688 1.00 0.72 C ATOM 1036 CD1 LEU A 67 0.331 5.617 -3.043 1.00 1.15 C ATOM 1037 CD2 LEU A 67 0.322 7.920 -3.984 1.00 0.89 C ATOM 0 H LEU A 67 -3.454 5.591 -6.158 1.00 0.67 H new ATOM 0 HA LEU A 67 -2.012 8.029 -5.279 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -1.733 5.190 -4.688 1.00 0.78 H new ATOM 0 HB3 LEU A 67 -0.339 5.730 -5.602 1.00 0.78 H new ATOM 0 HG LEU A 67 -1.374 7.017 -3.044 1.00 0.72 H new ATOM 0 HD11 LEU A 67 0.777 6.014 -2.131 1.00 1.15 H new ATOM 0 HD12 LEU A 67 -0.273 4.742 -2.801 1.00 1.15 H new ATOM 0 HD13 LEU A 67 1.120 5.332 -3.738 1.00 1.15 H new ATOM 0 HD21 LEU A 67 0.716 8.319 -3.049 1.00 0.89 H new ATOM 0 HD22 LEU A 67 1.149 7.629 -4.631 1.00 0.89 H new ATOM 0 HD23 LEU A 67 -0.276 8.684 -4.481 1.00 0.89 H new ATOM 1049 N GLU A 68 -0.386 7.778 -7.410 1.00 0.69 N ATOM 1050 CA GLU A 68 0.219 7.883 -8.736 1.00 0.66 C ATOM 1051 C GLU A 68 1.728 8.028 -8.640 1.00 0.75 C ATOM 1052 O GLU A 68 2.253 8.343 -7.572 1.00 0.85 O ATOM 1053 CB GLU A 68 -0.436 9.008 -9.542 1.00 0.79 C ATOM 1054 CG GLU A 68 -0.028 10.422 -9.141 1.00 1.14 C ATOM 1055 CD GLU A 68 -0.884 11.365 -9.979 1.00 1.36 C ATOM 1056 OE1 GLU A 68 -2.123 11.349 -9.802 1.00 2.16 O ATOM 1057 OE2 GLU A 68 -0.378 11.956 -10.952 1.00 1.93 O ATOM 0 H GLU A 68 0.166 8.209 -6.669 1.00 0.69 H new ATOM 0 HA GLU A 68 0.034 6.956 -9.279 1.00 0.66 H new ATOM 0 HB2 GLU A 68 -0.197 8.864 -10.596 1.00 0.79 H new ATOM 0 HB3 GLU A 68 -1.518 8.919 -9.445 1.00 0.79 H new ATOM 0 HG2 GLU A 68 -0.194 10.588 -8.077 1.00 1.14 H new ATOM 0 HG3 GLU A 68 1.033 10.589 -9.328 1.00 1.14 H new ATOM 1064 N VAL A 69 2.413 7.743 -9.748 1.00 0.77 N ATOM 1065 CA VAL A 69 3.871 7.564 -9.775 1.00 0.86 C ATOM 1066 C VAL A 69 4.453 8.054 -11.112 1.00 0.90 C ATOM 1067 O VAL A 69 3.954 7.643 -12.163 1.00 0.87 O ATOM 1068 CB VAL A 69 4.261 6.071 -9.559 1.00 0.91 C ATOM 1069 CG1 VAL A 69 5.784 5.875 -9.482 1.00 0.92 C ATOM 1070 CG2 VAL A 69 3.650 5.449 -8.291 1.00 0.96 C ATOM 0 H VAL A 69 1.971 7.628 -10.660 1.00 0.77 H new ATOM 0 HA VAL A 69 4.287 8.156 -8.960 1.00 0.86 H new ATOM 0 HB VAL A 69 3.853 5.564 -10.433 1.00 0.91 H new ATOM 0 HG11 VAL A 69 6.008 4.819 -9.331 1.00 0.92 H new ATOM 0 HG12 VAL A 69 6.242 6.214 -10.411 1.00 0.92 H new ATOM 0 HG13 VAL A 69 6.184 6.453 -8.649 1.00 0.92 H new ATOM 0 HG21 VAL A 69 3.966 4.409 -8.208 1.00 0.96 H new ATOM 0 HG22 VAL A 69 3.988 6.002 -7.415 1.00 0.96 H new ATOM 0 HG23 VAL A 69 2.563 5.494 -8.351 1.00 0.96 H new ATOM 1080 N PRO A 70 5.503 8.900 -11.108 1.00 1.01 N ATOM 1081 CA PRO A 70 6.105 9.427 -12.328 1.00 1.08 C ATOM 1082 C PRO A 70 6.950 8.371 -13.067 1.00 1.04 C ATOM 1083 O PRO A 70 7.321 7.360 -12.471 1.00 1.00 O ATOM 1084 CB PRO A 70 6.958 10.614 -11.877 1.00 1.25 C ATOM 1085 CG PRO A 70 7.388 10.215 -10.467 1.00 1.25 C ATOM 1086 CD PRO A 70 6.163 9.470 -9.940 1.00 1.13 C ATOM 0 HA PRO A 70 5.341 9.725 -13.046 1.00 1.08 H new ATOM 0 HB2 PRO A 70 7.816 10.766 -12.532 1.00 1.25 H new ATOM 0 HB3 PRO A 70 6.388 11.543 -11.877 1.00 1.25 H new ATOM 0 HG2 PRO A 70 8.274 9.580 -10.478 1.00 1.25 H new ATOM 0 HG3 PRO A 70 7.627 11.085 -9.855 1.00 1.25 H new ATOM 0 HD2 PRO A 70 6.454 8.689 -9.237 1.00 1.13 H new ATOM 0 HD3 PRO A 70 5.495 10.146 -9.406 1.00 1.13 H new ATOM 1094 N PRO A 71 7.260 8.595 -14.358 1.00 1.09 N ATOM 1095 CA PRO A 71 8.046 7.685 -15.190 1.00 0.99 C ATOM 1096 C PRO A 71 9.464 7.453 -14.663 1.00 0.94 C ATOM 1097 O PRO A 71 10.117 8.390 -14.209 1.00 1.05 O ATOM 1098 CB PRO A 71 8.008 8.274 -16.597 1.00 1.13 C ATOM 1099 CG PRO A 71 7.544 9.716 -16.444 1.00 1.28 C ATOM 1100 CD PRO A 71 6.759 9.709 -15.142 1.00 1.21 C ATOM 0 HA PRO A 71 7.620 6.682 -15.180 1.00 0.99 H new ATOM 0 HB2 PRO A 71 8.992 8.230 -17.064 1.00 1.13 H new ATOM 0 HB3 PRO A 71 7.327 7.712 -17.236 1.00 1.13 H new ATOM 0 HG2 PRO A 71 8.388 10.405 -16.399 1.00 1.28 H new ATOM 0 HG3 PRO A 71 6.923 10.027 -17.284 1.00 1.28 H new ATOM 0 HD2 PRO A 71 6.890 10.649 -14.606 1.00 1.21 H new ATOM 0 HD3 PRO A 71 5.692 9.598 -15.334 1.00 1.21 H new ATOM 1108 N LYS A 72 9.906 6.181 -14.678 1.00 0.84 N ATOM 1109 CA LYS A 72 11.188 5.683 -14.114 1.00 0.90 C ATOM 1110 C LYS A 72 11.295 5.835 -12.582 1.00 0.95 C ATOM 1111 O LYS A 72 12.295 5.478 -11.956 1.00 1.07 O ATOM 1112 CB LYS A 72 12.376 6.297 -14.867 1.00 1.00 C ATOM 1113 CG LYS A 72 12.667 5.631 -16.217 1.00 1.44 C ATOM 1114 CD LYS A 72 11.469 5.333 -17.136 1.00 1.09 C ATOM 1115 CE LYS A 72 11.842 4.595 -18.426 1.00 1.25 C ATOM 1116 NZ LYS A 72 12.643 5.415 -19.360 1.00 1.96 N ATOM 0 H LYS A 72 9.358 5.433 -15.102 1.00 0.84 H new ATOM 0 HA LYS A 72 11.213 4.605 -14.273 1.00 0.90 H new ATOM 0 HB2 LYS A 72 12.181 7.357 -15.030 1.00 1.00 H new ATOM 0 HB3 LYS A 72 13.265 6.229 -14.240 1.00 1.00 H new ATOM 0 HG2 LYS A 72 13.360 6.270 -16.765 1.00 1.44 H new ATOM 0 HG3 LYS A 72 13.184 4.691 -16.024 1.00 1.44 H new ATOM 0 HD2 LYS A 72 10.741 4.736 -16.586 1.00 1.09 H new ATOM 0 HD3 LYS A 72 10.980 6.272 -17.395 1.00 1.09 H new ATOM 0 HE2 LYS A 72 12.402 3.695 -18.172 1.00 1.25 H new ATOM 0 HE3 LYS A 72 10.930 4.272 -18.928 1.00 1.25 H new ATOM 0 HZ1 LYS A 72 12.661 4.959 -20.294 1.00 1.96 H new ATOM 0 HZ2 LYS A 72 12.218 6.360 -19.445 1.00 1.96 H new ATOM 0 HZ3 LYS A 72 13.614 5.504 -18.999 1.00 1.96 H new ATOM 1130 N GLY A 73 10.222 6.333 -11.976 1.00 0.92 N ATOM 1131 CA GLY A 73 10.049 6.580 -10.554 1.00 0.98 C ATOM 1132 C GLY A 73 9.739 5.290 -9.819 1.00 0.88 C ATOM 1133 O GLY A 73 8.694 4.675 -10.014 1.00 0.94 O ATOM 0 H GLY A 73 9.391 6.593 -12.508 1.00 0.92 H new ATOM 0 HA2 GLY A 73 10.954 7.029 -10.145 1.00 0.98 H new ATOM 0 HA3 GLY A 73 9.241 7.295 -10.400 1.00 0.98 H new ATOM 1137 N ARG A 74 10.668 4.935 -8.941 1.00 1.19 N ATOM 1138 CA ARG A 74 10.490 3.937 -7.884 1.00 1.26 C ATOM 1139 C ARG A 74 10.287 4.625 -6.535 1.00 1.50 C ATOM 1140 O ARG A 74 11.096 5.482 -6.179 1.00 1.93 O ATOM 1141 CB ARG A 74 11.694 2.988 -7.843 1.00 1.50 C ATOM 1142 CG ARG A 74 11.447 1.776 -6.933 1.00 2.19 C ATOM 1143 CD ARG A 74 12.658 0.831 -6.918 1.00 2.25 C ATOM 1144 NE ARG A 74 12.236 -0.566 -6.825 1.00 3.41 N ATOM 1145 CZ ARG A 74 12.581 -1.514 -5.970 1.00 3.83 C ATOM 1146 NH1 ARG A 74 13.362 -1.317 -4.927 1.00 3.55 N ATOM 1147 NH2 ARG A 74 12.082 -2.699 -6.187 1.00 5.29 N ATOM 0 H ARG A 74 11.601 5.347 -8.942 1.00 1.19 H new ATOM 0 HA ARG A 74 9.600 3.347 -8.100 1.00 1.26 H new ATOM 0 HB2 ARG A 74 11.917 2.643 -8.853 1.00 1.50 H new ATOM 0 HB3 ARG A 74 12.571 3.531 -7.491 1.00 1.50 H new ATOM 0 HG2 ARG A 74 11.237 2.117 -5.919 1.00 2.19 H new ATOM 0 HG3 ARG A 74 10.565 1.235 -7.276 1.00 2.19 H new ATOM 0 HD2 ARG A 74 13.247 0.976 -7.823 1.00 2.25 H new ATOM 0 HD3 ARG A 74 13.304 1.076 -6.075 1.00 2.25 H new ATOM 0 HE ARG A 74 11.565 -0.857 -7.536 1.00 3.41 H new ATOM 0 HH11 ARG A 74 13.739 -0.388 -4.741 1.00 3.55 H new ATOM 0 HH12 ARG A 74 13.589 -2.094 -4.306 1.00 3.55 H new ATOM 0 HH21 ARG A 74 11.462 -2.854 -6.982 1.00 5.29 H new ATOM 0 HH22 ARG A 74 12.312 -3.471 -5.562 1.00 5.29 H new ATOM 1161 N VAL A 75 9.256 4.231 -5.790 1.00 1.31 N ATOM 1162 CA VAL A 75 8.873 4.804 -4.478 1.00 1.44 C ATOM 1163 C VAL A 75 8.252 3.743 -3.567 1.00 1.14 C ATOM 1164 O VAL A 75 7.655 2.789 -4.059 1.00 1.09 O ATOM 1165 CB VAL A 75 7.876 5.987 -4.602 1.00 1.70 C ATOM 1166 CG1 VAL A 75 8.509 7.203 -5.298 1.00 2.15 C ATOM 1167 CG2 VAL A 75 6.579 5.611 -5.345 1.00 1.60 C ATOM 0 H VAL A 75 8.635 3.477 -6.084 1.00 1.31 H new ATOM 0 HA VAL A 75 9.800 5.177 -4.044 1.00 1.44 H new ATOM 0 HB VAL A 75 7.620 6.246 -3.574 1.00 1.70 H new ATOM 0 HG11 VAL A 75 7.776 8.007 -5.363 1.00 2.15 H new ATOM 0 HG12 VAL A 75 9.371 7.543 -4.724 1.00 2.15 H new ATOM 0 HG13 VAL A 75 8.830 6.922 -6.301 1.00 2.15 H new ATOM 0 HG21 VAL A 75 5.925 6.481 -5.398 1.00 1.60 H new ATOM 0 HG22 VAL A 75 6.821 5.277 -6.354 1.00 1.60 H new ATOM 0 HG23 VAL A 75 6.072 4.808 -4.809 1.00 1.60 H new ATOM 1177 N GLU A 76 8.366 3.911 -2.245 1.00 1.28 N ATOM 1178 CA GLU A 76 7.762 3.016 -1.252 1.00 1.09 C ATOM 1179 C GLU A 76 6.477 3.605 -0.647 1.00 0.91 C ATOM 1180 O GLU A 76 6.470 4.728 -0.136 1.00 0.98 O ATOM 1181 CB GLU A 76 8.753 2.574 -0.144 1.00 1.56 C ATOM 1182 CG GLU A 76 10.217 3.046 -0.233 1.00 1.72 C ATOM 1183 CD GLU A 76 10.356 4.515 0.164 1.00 2.23 C ATOM 1184 OE1 GLU A 76 10.537 4.802 1.370 1.00 3.37 O ATOM 1185 OE2 GLU A 76 10.153 5.404 -0.695 1.00 3.00 O ATOM 0 H GLU A 76 8.887 4.683 -1.829 1.00 1.28 H new ATOM 0 HA GLU A 76 7.488 2.115 -1.801 1.00 1.09 H new ATOM 0 HB2 GLU A 76 8.353 2.913 0.812 1.00 1.56 H new ATOM 0 HB3 GLU A 76 8.757 1.484 -0.119 1.00 1.56 H new ATOM 0 HG2 GLU A 76 10.839 2.432 0.418 1.00 1.72 H new ATOM 0 HG3 GLU A 76 10.584 2.906 -1.250 1.00 1.72 H new ATOM 1192 N LEU A 77 5.412 2.790 -0.623 1.00 0.81 N ATOM 1193 CA LEU A 77 4.231 2.971 0.223 1.00 0.75 C ATOM 1194 C LEU A 77 4.647 2.724 1.681 1.00 0.82 C ATOM 1195 O LEU A 77 4.449 1.648 2.247 1.00 1.18 O ATOM 1196 CB LEU A 77 3.080 2.038 -0.226 1.00 0.71 C ATOM 1197 CG LEU A 77 2.243 2.535 -1.425 1.00 0.68 C ATOM 1198 CD1 LEU A 77 2.996 2.436 -2.761 1.00 0.67 C ATOM 1199 CD2 LEU A 77 0.932 1.740 -1.510 1.00 0.73 C ATOM 0 H LEU A 77 5.351 1.960 -1.213 1.00 0.81 H new ATOM 0 HA LEU A 77 3.848 3.987 0.130 1.00 0.75 H new ATOM 0 HB2 LEU A 77 3.503 1.066 -0.480 1.00 0.71 H new ATOM 0 HB3 LEU A 77 2.411 1.883 0.621 1.00 0.71 H new ATOM 0 HG LEU A 77 2.035 3.591 -1.252 1.00 0.68 H new ATOM 0 HD11 LEU A 77 2.358 2.799 -3.566 1.00 0.67 H new ATOM 0 HD12 LEU A 77 3.901 3.042 -2.714 1.00 0.67 H new ATOM 0 HD13 LEU A 77 3.264 1.397 -2.951 1.00 0.67 H new ATOM 0 HD21 LEU A 77 0.346 2.095 -2.358 1.00 0.73 H new ATOM 0 HD22 LEU A 77 1.156 0.681 -1.642 1.00 0.73 H new ATOM 0 HD23 LEU A 77 0.362 1.879 -0.591 1.00 0.73 H new ATOM 1211 N LYS A 78 5.295 3.723 2.272 1.00 0.84 N ATOM 1212 CA LYS A 78 5.805 3.692 3.640 1.00 0.87 C ATOM 1213 C LYS A 78 4.684 3.994 4.658 1.00 0.79 C ATOM 1214 O LYS A 78 3.833 4.830 4.356 1.00 0.78 O ATOM 1215 CB LYS A 78 6.985 4.680 3.714 1.00 0.98 C ATOM 1216 CG LYS A 78 6.586 6.158 3.493 1.00 1.04 C ATOM 1217 CD LYS A 78 7.782 7.011 3.050 1.00 1.23 C ATOM 1218 CE LYS A 78 8.043 6.792 1.553 1.00 2.03 C ATOM 1219 NZ LYS A 78 9.400 7.215 1.150 1.00 2.69 N ATOM 0 H LYS A 78 5.486 4.605 1.797 1.00 0.84 H new ATOM 0 HA LYS A 78 6.164 2.698 3.906 1.00 0.87 H new ATOM 0 HB2 LYS A 78 7.463 4.586 4.689 1.00 0.98 H new ATOM 0 HB3 LYS A 78 7.727 4.400 2.967 1.00 0.98 H new ATOM 0 HG2 LYS A 78 5.801 6.214 2.739 1.00 1.04 H new ATOM 0 HG3 LYS A 78 6.172 6.564 4.416 1.00 1.04 H new ATOM 0 HD2 LYS A 78 7.582 8.065 3.244 1.00 1.23 H new ATOM 0 HD3 LYS A 78 8.667 6.743 3.627 1.00 1.23 H new ATOM 0 HE2 LYS A 78 7.908 5.737 1.314 1.00 2.03 H new ATOM 0 HE3 LYS A 78 7.305 7.347 0.973 1.00 2.03 H new ATOM 0 HZ1 LYS A 78 9.510 7.095 0.123 1.00 2.69 H new ATOM 0 HZ2 LYS A 78 9.540 8.215 1.399 1.00 2.69 H new ATOM 0 HZ3 LYS A 78 10.106 6.633 1.644 1.00 2.69 H new ATOM 1233 N PRO A 79 4.689 3.412 5.880 1.00 0.80 N ATOM 1234 CA PRO A 79 3.623 3.599 6.871 1.00 0.78 C ATOM 1235 C PRO A 79 3.310 5.076 7.149 1.00 0.80 C ATOM 1236 O PRO A 79 2.159 5.483 7.005 1.00 0.91 O ATOM 1237 CB PRO A 79 4.071 2.852 8.136 1.00 0.82 C ATOM 1238 CG PRO A 79 5.554 2.552 7.913 1.00 0.90 C ATOM 1239 CD PRO A 79 5.688 2.487 6.394 1.00 0.88 C ATOM 0 HA PRO A 79 2.684 3.197 6.491 1.00 0.78 H new ATOM 0 HB2 PRO A 79 3.921 3.460 9.028 1.00 0.82 H new ATOM 0 HB3 PRO A 79 3.499 1.935 8.276 1.00 0.82 H new ATOM 0 HG2 PRO A 79 6.188 3.331 8.338 1.00 0.90 H new ATOM 0 HG3 PRO A 79 5.847 1.612 8.381 1.00 0.90 H new ATOM 0 HD2 PRO A 79 6.690 2.773 6.075 1.00 0.88 H new ATOM 0 HD3 PRO A 79 5.513 1.476 6.027 1.00 0.88 H new ATOM 1247 N GLY A 80 4.331 5.894 7.444 1.00 0.87 N ATOM 1248 CA GLY A 80 4.200 7.354 7.536 1.00 0.93 C ATOM 1249 C GLY A 80 4.272 7.994 6.152 1.00 0.87 C ATOM 1250 O GLY A 80 5.257 8.652 5.825 1.00 1.07 O ATOM 0 H GLY A 80 5.277 5.558 7.626 1.00 0.87 H new ATOM 0 HA2 GLY A 80 3.253 7.609 8.011 1.00 0.93 H new ATOM 0 HA3 GLY A 80 4.992 7.755 8.169 1.00 0.93 H new ATOM 1254 N GLY A 81 3.254 7.739 5.327 1.00 0.82 N ATOM 1255 CA GLY A 81 3.215 8.095 3.905 1.00 0.76 C ATOM 1256 C GLY A 81 1.960 7.588 3.203 1.00 0.67 C ATOM 1257 O GLY A 81 1.047 8.360 2.945 1.00 0.75 O ATOM 0 H GLY A 81 2.407 7.264 5.639 1.00 0.82 H new ATOM 0 HA2 GLY A 81 3.269 9.179 3.805 1.00 0.76 H new ATOM 0 HA3 GLY A 81 4.094 7.685 3.408 1.00 0.76 H new ATOM 1261 N TYR A 82 1.933 6.297 2.867 1.00 0.64 N ATOM 1262 CA TYR A 82 0.892 5.602 2.095 1.00 0.62 C ATOM 1263 C TYR A 82 0.923 4.106 2.420 1.00 0.64 C ATOM 1264 O TYR A 82 2.001 3.541 2.584 1.00 0.68 O ATOM 1265 CB TYR A 82 1.122 5.786 0.589 1.00 0.66 C ATOM 1266 CG TYR A 82 1.216 7.223 0.125 1.00 0.66 C ATOM 1267 CD1 TYR A 82 0.044 7.974 -0.092 1.00 1.77 C ATOM 1268 CD2 TYR A 82 2.480 7.813 -0.068 1.00 1.72 C ATOM 1269 CE1 TYR A 82 0.134 9.325 -0.478 1.00 1.81 C ATOM 1270 CE2 TYR A 82 2.578 9.162 -0.450 1.00 1.73 C ATOM 1271 CZ TYR A 82 1.403 9.920 -0.658 1.00 0.78 C ATOM 1272 OH TYR A 82 1.497 11.223 -1.040 1.00 0.89 O ATOM 0 H TYR A 82 2.685 5.665 3.143 1.00 0.64 H new ATOM 0 HA TYR A 82 -0.076 6.026 2.364 1.00 0.62 H new ATOM 0 HB2 TYR A 82 2.041 5.270 0.312 1.00 0.66 H new ATOM 0 HB3 TYR A 82 0.309 5.299 0.051 1.00 0.66 H new ATOM 0 HD1 TYR A 82 -0.924 7.513 0.038 1.00 1.77 H new ATOM 0 HD2 TYR A 82 3.376 7.228 0.078 1.00 1.72 H new ATOM 0 HE1 TYR A 82 -0.764 9.904 -0.636 1.00 1.81 H new ATOM 0 HE2 TYR A 82 3.548 9.618 -0.584 1.00 1.73 H new ATOM 0 HH TYR A 82 2.441 11.474 -1.117 1.00 0.89 H new ATOM 1282 N HIS A 83 -0.220 3.430 2.491 1.00 0.64 N ATOM 1283 CA HIS A 83 -0.294 2.034 2.929 1.00 0.67 C ATOM 1284 C HIS A 83 -1.690 1.452 2.668 1.00 0.75 C ATOM 1285 O HIS A 83 -2.658 2.199 2.528 1.00 0.84 O ATOM 1286 CB HIS A 83 0.123 1.918 4.412 1.00 0.65 C ATOM 1287 CG HIS A 83 -0.637 2.822 5.353 1.00 0.63 C ATOM 1288 ND1 HIS A 83 -0.257 4.069 5.800 1.00 0.81 N ATOM 1289 CD2 HIS A 83 -1.848 2.542 5.926 1.00 0.63 C ATOM 1290 CE1 HIS A 83 -1.227 4.532 6.609 1.00 0.87 C ATOM 1291 NE2 HIS A 83 -2.207 3.624 6.734 1.00 0.77 N ATOM 0 H HIS A 83 -1.125 3.833 2.247 1.00 0.64 H new ATOM 0 HA HIS A 83 0.408 1.440 2.344 1.00 0.67 H new ATOM 0 HB2 HIS A 83 -0.012 0.885 4.734 1.00 0.65 H new ATOM 0 HB3 HIS A 83 1.187 2.141 4.495 1.00 0.65 H new ATOM 0 HD1 HIS A 83 0.607 4.555 5.560 1.00 0.81 H new ATOM 0 HD2 HIS A 83 -2.426 1.641 5.779 1.00 0.63 H new ATOM 0 HE1 HIS A 83 -1.218 5.499 7.090 1.00 0.87 H new ATOM 1299 N PHE A 84 -1.802 0.123 2.606 1.00 0.74 N ATOM 1300 CA PHE A 84 -3.068 -0.569 2.343 1.00 0.72 C ATOM 1301 C PHE A 84 -3.739 -1.046 3.631 1.00 0.75 C ATOM 1302 O PHE A 84 -3.174 -1.873 4.348 1.00 0.92 O ATOM 1303 CB PHE A 84 -2.813 -1.782 1.448 1.00 0.77 C ATOM 1304 CG PHE A 84 -2.551 -1.465 -0.008 1.00 0.77 C ATOM 1305 CD1 PHE A 84 -3.587 -0.932 -0.800 1.00 1.79 C ATOM 1306 CD2 PHE A 84 -1.301 -1.751 -0.589 1.00 2.17 C ATOM 1307 CE1 PHE A 84 -3.385 -0.726 -2.173 1.00 1.79 C ATOM 1308 CE2 PHE A 84 -1.091 -1.505 -1.957 1.00 2.18 C ATOM 1309 CZ PHE A 84 -2.130 -0.988 -2.748 1.00 0.81 C ATOM 0 H PHE A 84 -1.012 -0.508 2.738 1.00 0.74 H new ATOM 0 HA PHE A 84 -3.732 0.143 1.853 1.00 0.72 H new ATOM 0 HB2 PHE A 84 -1.959 -2.332 1.843 1.00 0.77 H new ATOM 0 HB3 PHE A 84 -3.675 -2.446 1.509 1.00 0.77 H new ATOM 0 HD1 PHE A 84 -4.537 -0.682 -0.350 1.00 1.79 H new ATOM 0 HD2 PHE A 84 -0.504 -2.159 0.016 1.00 2.17 H new ATOM 0 HE1 PHE A 84 -4.196 -0.365 -2.789 1.00 1.79 H new ATOM 0 HE2 PHE A 84 -0.129 -1.714 -2.401 1.00 2.18 H new ATOM 0 HZ PHE A 84 -1.965 -0.792 -3.797 1.00 0.81 H new ATOM 1319 N MET A 85 -4.966 -0.593 3.883 1.00 0.66 N ATOM 1320 CA MET A 85 -5.829 -1.108 4.940 1.00 0.66 C ATOM 1321 C MET A 85 -6.475 -2.411 4.482 1.00 0.64 C ATOM 1322 O MET A 85 -7.150 -2.451 3.456 1.00 0.73 O ATOM 1323 CB MET A 85 -6.907 -0.070 5.273 1.00 0.73 C ATOM 1324 CG MET A 85 -6.422 1.033 6.211 1.00 0.77 C ATOM 1325 SD MET A 85 -6.190 0.501 7.922 1.00 0.98 S ATOM 1326 CE MET A 85 -4.395 0.396 7.964 1.00 0.76 C ATOM 0 H MET A 85 -5.396 0.159 3.345 1.00 0.66 H new ATOM 0 HA MET A 85 -5.237 -1.302 5.834 1.00 0.66 H new ATOM 0 HB2 MET A 85 -7.263 0.382 4.347 1.00 0.73 H new ATOM 0 HB3 MET A 85 -7.758 -0.575 5.729 1.00 0.73 H new ATOM 0 HG2 MET A 85 -5.478 1.427 5.834 1.00 0.77 H new ATOM 0 HG3 MET A 85 -7.140 1.853 6.191 1.00 0.77 H new ATOM 0 HE1 MET A 85 -4.095 -0.464 8.563 1.00 0.76 H new ATOM 0 HE2 MET A 85 -4.013 0.282 6.949 1.00 0.76 H new ATOM 0 HE3 MET A 85 -3.988 1.306 8.405 1.00 0.76 H new ATOM 1336 N LEU A 86 -6.271 -3.469 5.265 1.00 0.62 N ATOM 1337 CA LEU A 86 -6.774 -4.816 5.013 1.00 0.62 C ATOM 1338 C LEU A 86 -7.964 -5.128 5.937 1.00 0.67 C ATOM 1339 O LEU A 86 -7.775 -5.782 6.960 1.00 1.27 O ATOM 1340 CB LEU A 86 -5.592 -5.791 5.232 1.00 0.68 C ATOM 1341 CG LEU A 86 -4.362 -5.611 4.312 1.00 0.82 C ATOM 1342 CD1 LEU A 86 -3.414 -6.799 4.529 1.00 1.88 C ATOM 1343 CD2 LEU A 86 -4.708 -5.495 2.819 1.00 1.13 C ATOM 0 H LEU A 86 -5.729 -3.407 6.127 1.00 0.62 H new ATOM 0 HA LEU A 86 -7.147 -4.916 3.994 1.00 0.62 H new ATOM 0 HB2 LEU A 86 -5.260 -5.696 6.266 1.00 0.68 H new ATOM 0 HB3 LEU A 86 -5.963 -6.808 5.108 1.00 0.68 H new ATOM 0 HG LEU A 86 -3.894 -4.665 4.585 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -2.540 -6.689 3.887 1.00 1.88 H new ATOM 0 HD12 LEU A 86 -3.098 -6.826 5.572 1.00 1.88 H new ATOM 0 HD13 LEU A 86 -3.931 -7.727 4.282 1.00 1.88 H new ATOM 0 HD21 LEU A 86 -3.792 -5.371 2.242 1.00 1.13 H new ATOM 0 HD22 LEU A 86 -5.223 -6.399 2.493 1.00 1.13 H new ATOM 0 HD23 LEU A 86 -5.355 -4.632 2.662 1.00 1.13 H new ATOM 1355 N LEU A 87 -9.180 -4.650 5.636 1.00 0.64 N ATOM 1356 CA LEU A 87 -10.350 -4.884 6.501 1.00 0.70 C ATOM 1357 C LEU A 87 -10.889 -6.301 6.263 1.00 0.70 C ATOM 1358 O LEU A 87 -11.175 -6.683 5.125 1.00 0.89 O ATOM 1359 CB LEU A 87 -11.473 -3.849 6.253 1.00 0.78 C ATOM 1360 CG LEU A 87 -11.304 -2.402 6.761 1.00 1.04 C ATOM 1361 CD1 LEU A 87 -11.456 -2.314 8.284 1.00 1.40 C ATOM 1362 CD2 LEU A 87 -9.981 -1.756 6.342 1.00 2.61 C ATOM 0 H LEU A 87 -9.381 -4.099 4.801 1.00 0.64 H new ATOM 0 HA LEU A 87 -10.025 -4.774 7.536 1.00 0.70 H new ATOM 0 HB2 LEU A 87 -11.638 -3.799 5.177 1.00 0.78 H new ATOM 0 HB3 LEU A 87 -12.386 -4.246 6.698 1.00 0.78 H new ATOM 0 HG LEU A 87 -12.107 -1.841 6.283 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -11.330 -1.279 8.603 1.00 1.40 H new ATOM 0 HD12 LEU A 87 -12.447 -2.665 8.572 1.00 1.40 H new ATOM 0 HD13 LEU A 87 -10.699 -2.935 8.762 1.00 1.40 H new ATOM 0 HD21 LEU A 87 -9.932 -0.740 6.734 1.00 2.61 H new ATOM 0 HD22 LEU A 87 -9.150 -2.339 6.739 1.00 2.61 H new ATOM 0 HD23 LEU A 87 -9.918 -1.728 5.254 1.00 2.61 H new ATOM 1374 N GLY A 88 -11.068 -7.065 7.346 1.00 0.73 N ATOM 1375 CA GLY A 88 -11.619 -8.422 7.303 1.00 0.86 C ATOM 1376 C GLY A 88 -10.581 -9.413 6.791 1.00 0.87 C ATOM 1377 O GLY A 88 -10.662 -9.829 5.636 1.00 1.31 O ATOM 0 H GLY A 88 -10.831 -6.754 8.288 1.00 0.73 H new ATOM 0 HA2 GLY A 88 -11.949 -8.717 8.299 1.00 0.86 H new ATOM 0 HA3 GLY A 88 -12.497 -8.442 6.657 1.00 0.86 H new ATOM 1381 N LEU A 89 -9.585 -9.779 7.605 1.00 0.84 N ATOM 1382 CA LEU A 89 -8.547 -10.713 7.151 1.00 0.75 C ATOM 1383 C LEU A 89 -9.072 -12.151 7.153 1.00 0.89 C ATOM 1384 O LEU A 89 -8.918 -12.907 8.109 1.00 1.11 O ATOM 1385 CB LEU A 89 -7.225 -10.581 7.915 1.00 0.74 C ATOM 1386 CG LEU A 89 -6.698 -9.138 8.041 1.00 0.66 C ATOM 1387 CD1 LEU A 89 -6.659 -8.831 9.532 1.00 1.50 C ATOM 1388 CD2 LEU A 89 -5.309 -8.941 7.423 1.00 1.41 C ATOM 0 H LEU A 89 -9.475 -9.450 8.564 1.00 0.84 H new ATOM 0 HA LEU A 89 -8.309 -10.437 6.124 1.00 0.75 H new ATOM 0 HB2 LEU A 89 -7.356 -10.995 8.915 1.00 0.74 H new ATOM 0 HB3 LEU A 89 -6.470 -11.187 7.415 1.00 0.74 H new ATOM 0 HG LEU A 89 -7.354 -8.464 7.491 1.00 0.66 H new ATOM 0 HD11 LEU A 89 -6.292 -7.816 9.685 1.00 1.50 H new ATOM 0 HD12 LEU A 89 -7.662 -8.920 9.948 1.00 1.50 H new ATOM 0 HD13 LEU A 89 -5.995 -9.536 10.031 1.00 1.50 H new ATOM 0 HD21 LEU A 89 -4.999 -7.903 7.547 1.00 1.41 H new ATOM 0 HD22 LEU A 89 -4.593 -9.595 7.921 1.00 1.41 H new ATOM 0 HD23 LEU A 89 -5.345 -9.184 6.361 1.00 1.41 H new ATOM 1400 N LYS A 90 -9.642 -12.545 6.017 1.00 1.38 N ATOM 1401 CA LYS A 90 -10.071 -13.918 5.708 1.00 1.44 C ATOM 1402 C LYS A 90 -8.949 -14.978 5.848 1.00 1.24 C ATOM 1403 O LYS A 90 -9.217 -16.178 5.779 1.00 1.28 O ATOM 1404 CB LYS A 90 -10.717 -13.918 4.306 1.00 1.91 C ATOM 1405 CG LYS A 90 -9.697 -13.654 3.183 1.00 0.85 C ATOM 1406 CD LYS A 90 -10.104 -12.555 2.201 1.00 1.68 C ATOM 1407 CE LYS A 90 -11.054 -12.996 1.088 1.00 1.34 C ATOM 1408 NZ LYS A 90 -11.383 -11.852 0.207 1.00 1.72 N ATOM 0 H LYS A 90 -9.828 -11.896 5.253 1.00 1.38 H new ATOM 0 HA LYS A 90 -10.804 -14.224 6.454 1.00 1.44 H new ATOM 0 HB2 LYS A 90 -11.201 -14.879 4.133 1.00 1.91 H new ATOM 0 HB3 LYS A 90 -11.497 -13.157 4.269 1.00 1.91 H new ATOM 0 HG2 LYS A 90 -8.741 -13.385 3.633 1.00 0.85 H new ATOM 0 HG3 LYS A 90 -9.539 -14.579 2.628 1.00 0.85 H new ATOM 0 HD2 LYS A 90 -10.575 -11.747 2.760 1.00 1.68 H new ATOM 0 HD3 LYS A 90 -9.203 -12.144 1.746 1.00 1.68 H new ATOM 0 HE2 LYS A 90 -10.594 -13.793 0.503 1.00 1.34 H new ATOM 0 HE3 LYS A 90 -11.967 -13.404 1.521 1.00 1.34 H new ATOM 0 HZ1 LYS A 90 -12.393 -11.622 0.299 1.00 1.72 H new ATOM 0 HZ2 LYS A 90 -10.814 -11.027 0.483 1.00 1.72 H new ATOM 0 HZ3 LYS A 90 -11.174 -12.103 -0.780 1.00 1.72 H new ATOM 1422 N ARG A 91 -7.693 -14.547 6.041 1.00 1.22 N ATOM 1423 CA ARG A 91 -6.556 -15.373 6.450 1.00 1.30 C ATOM 1424 C ARG A 91 -5.749 -14.614 7.520 1.00 1.13 C ATOM 1425 O ARG A 91 -5.464 -13.438 7.298 1.00 1.06 O ATOM 1426 CB ARG A 91 -5.637 -15.651 5.249 1.00 1.80 C ATOM 1427 CG ARG A 91 -6.301 -16.513 4.167 1.00 2.39 C ATOM 1428 CD ARG A 91 -5.323 -16.746 3.009 1.00 2.69 C ATOM 1429 NE ARG A 91 -5.789 -17.819 2.112 1.00 3.72 N ATOM 1430 CZ ARG A 91 -5.662 -19.125 2.323 1.00 4.22 C ATOM 1431 NH1 ARG A 91 -5.144 -19.605 3.435 1.00 4.27 N ATOM 1432 NH2 ARG A 91 -6.071 -19.984 1.414 1.00 5.41 N ATOM 0 H ARG A 91 -7.435 -13.569 5.909 1.00 1.22 H new ATOM 0 HA ARG A 91 -6.928 -16.318 6.845 1.00 1.30 H new ATOM 0 HB2 ARG A 91 -5.327 -14.703 4.810 1.00 1.80 H new ATOM 0 HB3 ARG A 91 -4.734 -16.151 5.599 1.00 1.80 H new ATOM 0 HG2 ARG A 91 -6.610 -17.469 4.591 1.00 2.39 H new ATOM 0 HG3 ARG A 91 -7.202 -16.021 3.800 1.00 2.39 H new ATOM 0 HD2 ARG A 91 -5.204 -15.823 2.442 1.00 2.69 H new ATOM 0 HD3 ARG A 91 -4.342 -17.004 3.407 1.00 2.69 H new ATOM 0 HE ARG A 91 -6.252 -17.533 1.249 1.00 3.72 H new ATOM 0 HH11 ARG A 91 -4.826 -18.968 4.166 1.00 4.27 H new ATOM 0 HH12 ARG A 91 -5.061 -20.613 3.565 1.00 4.27 H new ATOM 0 HH21 ARG A 91 -6.487 -19.648 0.545 1.00 5.41 H new ATOM 0 HH22 ARG A 91 -5.972 -20.986 1.578 1.00 5.41 H new ATOM 1446 N PRO A 92 -5.319 -15.260 8.621 1.00 1.20 N ATOM 1447 CA PRO A 92 -4.306 -14.698 9.502 1.00 1.15 C ATOM 1448 C PRO A 92 -2.947 -14.732 8.791 1.00 1.21 C ATOM 1449 O PRO A 92 -2.632 -15.676 8.064 1.00 1.53 O ATOM 1450 CB PRO A 92 -4.329 -15.569 10.761 1.00 1.36 C ATOM 1451 CG PRO A 92 -4.772 -16.934 10.235 1.00 1.52 C ATOM 1452 CD PRO A 92 -5.712 -16.587 9.080 1.00 1.43 C ATOM 0 HA PRO A 92 -4.492 -13.657 9.765 1.00 1.15 H new ATOM 0 HB2 PRO A 92 -3.348 -15.619 11.234 1.00 1.36 H new ATOM 0 HB3 PRO A 92 -5.023 -15.180 11.507 1.00 1.36 H new ATOM 0 HG2 PRO A 92 -3.923 -17.528 9.896 1.00 1.52 H new ATOM 0 HG3 PRO A 92 -5.280 -17.515 11.005 1.00 1.52 H new ATOM 0 HD2 PRO A 92 -5.627 -17.318 8.276 1.00 1.43 H new ATOM 0 HD3 PRO A 92 -6.751 -16.593 9.408 1.00 1.43 H new ATOM 1460 N LEU A 93 -2.154 -13.680 8.994 1.00 1.13 N ATOM 1461 CA LEU A 93 -0.896 -13.439 8.285 1.00 1.23 C ATOM 1462 C LEU A 93 0.266 -14.145 8.998 1.00 1.35 C ATOM 1463 O LEU A 93 1.005 -13.541 9.771 1.00 1.80 O ATOM 1464 CB LEU A 93 -0.690 -11.911 8.151 1.00 1.23 C ATOM 1465 CG LEU A 93 -1.384 -11.229 6.952 1.00 1.31 C ATOM 1466 CD1 LEU A 93 -0.676 -11.565 5.635 1.00 1.93 C ATOM 1467 CD2 LEU A 93 -2.870 -11.576 6.828 1.00 2.01 C ATOM 0 H LEU A 93 -2.374 -12.952 9.674 1.00 1.13 H new ATOM 0 HA LEU A 93 -0.932 -13.862 7.281 1.00 1.23 H new ATOM 0 HB2 LEU A 93 -1.044 -11.437 9.066 1.00 1.23 H new ATOM 0 HB3 LEU A 93 0.380 -11.715 8.084 1.00 1.23 H new ATOM 0 HG LEU A 93 -1.313 -10.159 7.149 1.00 1.31 H new ATOM 0 HD11 LEU A 93 -1.188 -11.070 4.810 1.00 1.93 H new ATOM 0 HD12 LEU A 93 0.357 -11.221 5.679 1.00 1.93 H new ATOM 0 HD13 LEU A 93 -0.693 -12.643 5.478 1.00 1.93 H new ATOM 0 HD21 LEU A 93 -3.293 -11.062 5.965 1.00 2.01 H new ATOM 0 HD22 LEU A 93 -2.983 -12.653 6.701 1.00 2.01 H new ATOM 0 HD23 LEU A 93 -3.394 -11.261 7.730 1.00 2.01 H new ATOM 1479 N LYS A 94 0.453 -15.444 8.756 1.00 1.43 N ATOM 1480 CA LYS A 94 1.524 -16.212 9.371 1.00 1.61 C ATOM 1481 C LYS A 94 2.880 -15.770 8.785 1.00 1.63 C ATOM 1482 O LYS A 94 3.197 -16.085 7.639 1.00 2.13 O ATOM 1483 CB LYS A 94 1.216 -17.714 9.163 1.00 1.95 C ATOM 1484 CG LYS A 94 1.605 -18.623 10.337 1.00 2.07 C ATOM 1485 CD LYS A 94 3.093 -18.610 10.715 1.00 2.39 C ATOM 1486 CE LYS A 94 3.969 -19.625 9.962 1.00 3.29 C ATOM 1487 NZ LYS A 94 4.241 -19.216 8.568 1.00 3.72 N ATOM 0 H LYS A 94 -0.137 -15.988 8.127 1.00 1.43 H new ATOM 0 HA LYS A 94 1.588 -16.033 10.444 1.00 1.61 H new ATOM 0 HB2 LYS A 94 0.149 -17.828 8.973 1.00 1.95 H new ATOM 0 HB3 LYS A 94 1.738 -18.056 8.269 1.00 1.95 H new ATOM 0 HG2 LYS A 94 1.023 -18.329 11.210 1.00 2.07 H new ATOM 0 HG3 LYS A 94 1.318 -19.646 10.093 1.00 2.07 H new ATOM 0 HD2 LYS A 94 3.488 -17.610 10.536 1.00 2.39 H new ATOM 0 HD3 LYS A 94 3.181 -18.801 11.785 1.00 2.39 H new ATOM 0 HE2 LYS A 94 4.914 -19.748 10.492 1.00 3.29 H new ATOM 0 HE3 LYS A 94 3.475 -20.597 9.962 1.00 3.29 H new ATOM 0 HZ1 LYS A 94 4.990 -19.817 8.170 1.00 3.72 H new ATOM 0 HZ2 LYS A 94 3.376 -19.320 8.001 1.00 3.72 H new ATOM 0 HZ3 LYS A 94 4.549 -18.223 8.551 1.00 3.72 H new ATOM 1501 N ALA A 95 3.694 -15.068 9.582 1.00 1.40 N ATOM 1502 CA ALA A 95 5.059 -14.676 9.213 1.00 1.37 C ATOM 1503 C ALA A 95 5.808 -15.830 8.530 1.00 1.35 C ATOM 1504 O ALA A 95 5.845 -16.941 9.067 1.00 1.42 O ATOM 1505 CB ALA A 95 5.786 -14.167 10.464 1.00 1.44 C ATOM 0 H ALA A 95 3.420 -14.752 10.512 1.00 1.40 H new ATOM 0 HA ALA A 95 5.022 -13.869 8.481 1.00 1.37 H new ATOM 0 HB1 ALA A 95 6.802 -13.873 10.200 1.00 1.44 H new ATOM 0 HB2 ALA A 95 5.253 -13.307 10.870 1.00 1.44 H new ATOM 0 HB3 ALA A 95 5.820 -14.959 11.212 1.00 1.44 H new ATOM 1511 N GLY A 96 6.328 -15.571 7.327 1.00 1.40 N ATOM 1512 CA GLY A 96 7.026 -16.545 6.485 1.00 1.46 C ATOM 1513 C GLY A 96 6.339 -16.928 5.169 1.00 1.56 C ATOM 1514 O GLY A 96 7.074 -17.356 4.283 1.00 2.17 O ATOM 0 H GLY A 96 6.273 -14.647 6.899 1.00 1.40 H new ATOM 0 HA2 GLY A 96 8.014 -16.148 6.251 1.00 1.46 H new ATOM 0 HA3 GLY A 96 7.177 -17.454 7.068 1.00 1.46 H new ATOM 1518 N GLU A 97 5.015 -16.766 4.997 1.00 1.49 N ATOM 1519 CA GLU A 97 4.365 -17.195 3.738 1.00 1.58 C ATOM 1520 C GLU A 97 4.421 -16.099 2.658 1.00 1.51 C ATOM 1521 O GLU A 97 4.836 -14.965 2.916 1.00 1.49 O ATOM 1522 CB GLU A 97 2.892 -17.656 3.874 1.00 1.97 C ATOM 1523 CG GLU A 97 2.294 -18.189 5.172 1.00 2.13 C ATOM 1524 CD GLU A 97 2.996 -19.324 5.917 1.00 3.01 C ATOM 1525 OE1 GLU A 97 4.238 -19.453 5.896 1.00 4.28 O ATOM 1526 OE2 GLU A 97 2.319 -19.933 6.777 1.00 3.53 O ATOM 0 H GLU A 97 4.387 -16.355 5.688 1.00 1.49 H new ATOM 0 HA GLU A 97 4.952 -18.065 3.445 1.00 1.58 H new ATOM 0 HB2 GLU A 97 2.276 -16.807 3.578 1.00 1.97 H new ATOM 0 HB3 GLU A 97 2.743 -18.434 3.125 1.00 1.97 H new ATOM 0 HG2 GLU A 97 2.211 -17.349 5.862 1.00 2.13 H new ATOM 0 HG3 GLU A 97 1.280 -18.522 4.951 1.00 2.13 H new ATOM 1533 N GLU A 98 3.912 -16.414 1.469 1.00 1.61 N ATOM 1534 CA GLU A 98 3.753 -15.514 0.328 1.00 1.65 C ATOM 1535 C GLU A 98 2.337 -14.918 0.236 1.00 1.38 C ATOM 1536 O GLU A 98 1.335 -15.631 0.230 1.00 1.59 O ATOM 1537 CB GLU A 98 4.036 -16.263 -0.987 1.00 2.09 C ATOM 1538 CG GLU A 98 5.400 -16.968 -1.046 1.00 2.49 C ATOM 1539 CD GLU A 98 5.326 -18.447 -0.649 1.00 3.66 C ATOM 1540 OE1 GLU A 98 4.543 -18.782 0.269 1.00 4.85 O ATOM 1541 OE2 GLU A 98 6.058 -19.235 -1.288 1.00 4.23 O ATOM 0 H GLU A 98 3.581 -17.357 1.264 1.00 1.61 H new ATOM 0 HA GLU A 98 4.465 -14.703 0.479 1.00 1.65 H new ATOM 0 HB2 GLU A 98 3.252 -17.005 -1.142 1.00 2.09 H new ATOM 0 HB3 GLU A 98 3.973 -15.555 -1.813 1.00 2.09 H new ATOM 0 HG2 GLU A 98 5.801 -16.888 -2.056 1.00 2.49 H new ATOM 0 HG3 GLU A 98 6.098 -16.454 -0.385 1.00 2.49 H new ATOM 1548 N VAL A 99 2.241 -13.602 0.043 1.00 1.11 N ATOM 1549 CA VAL A 99 1.011 -12.915 -0.384 1.00 0.98 C ATOM 1550 C VAL A 99 1.121 -12.583 -1.861 1.00 0.99 C ATOM 1551 O VAL A 99 1.939 -11.750 -2.244 1.00 1.05 O ATOM 1552 CB VAL A 99 0.737 -11.616 0.411 1.00 0.95 C ATOM 1553 CG1 VAL A 99 -0.513 -10.874 -0.118 1.00 0.94 C ATOM 1554 CG2 VAL A 99 0.584 -11.977 1.895 1.00 0.93 C ATOM 0 H VAL A 99 3.028 -12.968 0.180 1.00 1.11 H new ATOM 0 HA VAL A 99 0.177 -13.590 -0.191 1.00 0.98 H new ATOM 0 HB VAL A 99 1.576 -10.932 0.283 1.00 0.95 H new ATOM 0 HG11 VAL A 99 -0.672 -9.967 0.466 1.00 0.94 H new ATOM 0 HG12 VAL A 99 -0.363 -10.610 -1.165 1.00 0.94 H new ATOM 0 HG13 VAL A 99 -1.385 -11.521 -0.028 1.00 0.94 H new ATOM 0 HG21 VAL A 99 0.390 -11.072 2.471 1.00 0.93 H new ATOM 0 HG22 VAL A 99 -0.248 -12.670 2.017 1.00 0.93 H new ATOM 0 HG23 VAL A 99 1.501 -12.445 2.252 1.00 0.93 H new ATOM 1564 N GLU A 100 0.239 -13.177 -2.667 1.00 0.99 N ATOM 1565 CA GLU A 100 -0.060 -12.658 -4.003 1.00 0.97 C ATOM 1566 C GLU A 100 -1.019 -11.466 -3.915 1.00 0.95 C ATOM 1567 O GLU A 100 -1.927 -11.416 -3.080 1.00 1.03 O ATOM 1568 CB GLU A 100 -0.639 -13.735 -4.933 1.00 1.15 C ATOM 1569 CG GLU A 100 0.447 -14.649 -5.527 1.00 1.33 C ATOM 1570 CD GLU A 100 0.256 -14.819 -7.033 1.00 2.11 C ATOM 1571 OE1 GLU A 100 -0.728 -15.469 -7.454 1.00 2.76 O ATOM 1572 OE2 GLU A 100 1.040 -14.246 -7.822 1.00 3.08 O ATOM 0 H GLU A 100 -0.281 -14.018 -2.418 1.00 0.99 H new ATOM 0 HA GLU A 100 0.885 -12.329 -4.435 1.00 0.97 H new ATOM 0 HB2 GLU A 100 -1.356 -14.341 -4.379 1.00 1.15 H new ATOM 0 HB3 GLU A 100 -1.187 -13.254 -5.743 1.00 1.15 H new ATOM 0 HG2 GLU A 100 1.432 -14.227 -5.327 1.00 1.33 H new ATOM 0 HG3 GLU A 100 0.413 -15.624 -5.040 1.00 1.33 H new ATOM 1579 N LEU A 101 -0.809 -10.492 -4.801 1.00 0.98 N ATOM 1580 CA LEU A 101 -1.453 -9.185 -4.736 1.00 0.84 C ATOM 1581 C LEU A 101 -1.584 -8.569 -6.132 1.00 0.86 C ATOM 1582 O LEU A 101 -0.584 -8.290 -6.796 1.00 0.90 O ATOM 1583 CB LEU A 101 -0.652 -8.291 -3.763 1.00 0.87 C ATOM 1584 CG LEU A 101 -1.415 -7.924 -2.485 1.00 1.27 C ATOM 1585 CD1 LEU A 101 -0.433 -7.398 -1.446 1.00 1.72 C ATOM 1586 CD2 LEU A 101 -2.435 -6.805 -2.736 1.00 1.46 C ATOM 0 H LEU A 101 -0.177 -10.593 -5.595 1.00 0.98 H new ATOM 0 HA LEU A 101 -2.470 -9.283 -4.356 1.00 0.84 H new ATOM 0 HB2 LEU A 101 0.270 -8.804 -3.489 1.00 0.87 H new ATOM 0 HB3 LEU A 101 -0.366 -7.375 -4.279 1.00 0.87 H new ATOM 0 HG LEU A 101 -1.929 -8.823 -2.146 1.00 1.27 H new ATOM 0 HD11 LEU A 101 -0.972 -7.136 -0.536 1.00 1.72 H new ATOM 0 HD12 LEU A 101 0.306 -8.167 -1.221 1.00 1.72 H new ATOM 0 HD13 LEU A 101 0.071 -6.514 -1.836 1.00 1.72 H new ATOM 0 HD21 LEU A 101 -2.956 -6.572 -1.807 1.00 1.46 H new ATOM 0 HD22 LEU A 101 -1.918 -5.915 -3.095 1.00 1.46 H new ATOM 0 HD23 LEU A 101 -3.157 -7.132 -3.485 1.00 1.46 H new ATOM 1598 N ASP A 102 -2.825 -8.352 -6.554 1.00 0.88 N ATOM 1599 CA ASP A 102 -3.235 -7.690 -7.796 1.00 0.89 C ATOM 1600 C ASP A 102 -3.190 -6.167 -7.629 1.00 0.75 C ATOM 1601 O ASP A 102 -4.154 -5.570 -7.148 1.00 0.75 O ATOM 1602 CB ASP A 102 -4.681 -8.093 -8.117 1.00 1.01 C ATOM 1603 CG ASP A 102 -4.889 -9.538 -8.536 1.00 1.46 C ATOM 1604 OD1 ASP A 102 -4.386 -9.942 -9.604 1.00 1.76 O ATOM 1605 OD2 ASP A 102 -5.659 -10.209 -7.814 1.00 2.82 O ATOM 0 H ASP A 102 -3.629 -8.653 -6.003 1.00 0.88 H new ATOM 0 HA ASP A 102 -2.557 -7.989 -8.596 1.00 0.89 H new ATOM 0 HB2 ASP A 102 -5.296 -7.898 -7.238 1.00 1.01 H new ATOM 0 HB3 ASP A 102 -5.049 -7.447 -8.914 1.00 1.01 H new ATOM 1610 N LEU A 103 -2.097 -5.516 -8.030 1.00 0.75 N ATOM 1611 CA LEU A 103 -1.990 -4.053 -8.023 1.00 0.69 C ATOM 1612 C LEU A 103 -2.856 -3.458 -9.148 1.00 0.63 C ATOM 1613 O LEU A 103 -2.622 -3.753 -10.322 1.00 0.69 O ATOM 1614 CB LEU A 103 -0.510 -3.656 -8.190 1.00 0.80 C ATOM 1615 CG LEU A 103 0.469 -4.297 -7.185 1.00 1.05 C ATOM 1616 CD1 LEU A 103 1.892 -3.861 -7.542 1.00 1.30 C ATOM 1617 CD2 LEU A 103 0.143 -3.917 -5.731 1.00 1.27 C ATOM 0 H LEU A 103 -1.259 -5.987 -8.370 1.00 0.75 H new ATOM 0 HA LEU A 103 -2.355 -3.656 -7.075 1.00 0.69 H new ATOM 0 HB2 LEU A 103 -0.193 -3.921 -9.199 1.00 0.80 H new ATOM 0 HB3 LEU A 103 -0.431 -2.572 -8.106 1.00 0.80 H new ATOM 0 HG LEU A 103 0.374 -5.381 -7.254 1.00 1.05 H new ATOM 0 HD11 LEU A 103 2.596 -4.307 -6.839 1.00 1.30 H new ATOM 0 HD12 LEU A 103 2.131 -4.191 -8.553 1.00 1.30 H new ATOM 0 HD13 LEU A 103 1.964 -2.775 -7.488 1.00 1.30 H new ATOM 0 HD21 LEU A 103 0.860 -4.392 -5.061 1.00 1.27 H new ATOM 0 HD22 LEU A 103 0.202 -2.835 -5.616 1.00 1.27 H new ATOM 0 HD23 LEU A 103 -0.864 -4.254 -5.484 1.00 1.27 H new ATOM 1629 N LEU A 104 -3.851 -2.627 -8.803 1.00 0.56 N ATOM 1630 CA LEU A 104 -4.862 -2.118 -9.743 1.00 0.56 C ATOM 1631 C LEU A 104 -4.470 -0.741 -10.288 1.00 0.54 C ATOM 1632 O LEU A 104 -4.175 0.180 -9.518 1.00 0.54 O ATOM 1633 CB LEU A 104 -6.247 -2.010 -9.067 1.00 0.53 C ATOM 1634 CG LEU A 104 -6.748 -3.231 -8.281 1.00 0.56 C ATOM 1635 CD1 LEU A 104 -8.147 -2.946 -7.718 1.00 0.57 C ATOM 1636 CD2 LEU A 104 -6.767 -4.521 -9.110 1.00 0.63 C ATOM 0 H LEU A 104 -3.978 -2.285 -7.851 1.00 0.56 H new ATOM 0 HA LEU A 104 -4.915 -2.830 -10.567 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -6.224 -1.158 -8.387 1.00 0.53 H new ATOM 0 HB3 LEU A 104 -6.982 -1.782 -9.839 1.00 0.53 H new ATOM 0 HG LEU A 104 -6.040 -3.396 -7.469 1.00 0.56 H new ATOM 0 HD11 LEU A 104 -8.499 -3.814 -7.161 1.00 0.57 H new ATOM 0 HD12 LEU A 104 -8.103 -2.083 -7.054 1.00 0.57 H new ATOM 0 HD13 LEU A 104 -8.834 -2.738 -8.538 1.00 0.57 H new ATOM 0 HD21 LEU A 104 -7.131 -5.344 -8.495 1.00 0.63 H new ATOM 0 HD22 LEU A 104 -7.425 -4.392 -9.969 1.00 0.63 H new ATOM 0 HD23 LEU A 104 -5.758 -4.746 -9.456 1.00 0.63 H new ATOM 1648 N PHE A 105 -4.552 -0.551 -11.606 1.00 0.59 N ATOM 1649 CA PHE A 105 -4.118 0.679 -12.279 1.00 0.61 C ATOM 1650 C PHE A 105 -5.175 1.227 -13.258 1.00 0.64 C ATOM 1651 O PHE A 105 -5.902 0.490 -13.926 1.00 0.91 O ATOM 1652 CB PHE A 105 -2.818 0.376 -13.033 1.00 0.71 C ATOM 1653 CG PHE A 105 -1.609 0.049 -12.180 1.00 0.69 C ATOM 1654 CD1 PHE A 105 -0.787 1.087 -11.699 1.00 1.47 C ATOM 1655 CD2 PHE A 105 -1.257 -1.293 -11.929 1.00 1.98 C ATOM 1656 CE1 PHE A 105 0.381 0.786 -10.978 1.00 1.48 C ATOM 1657 CE2 PHE A 105 -0.088 -1.591 -11.210 1.00 1.99 C ATOM 1658 CZ PHE A 105 0.733 -0.553 -10.738 1.00 0.75 C ATOM 0 H PHE A 105 -4.925 -1.253 -12.245 1.00 0.59 H new ATOM 0 HA PHE A 105 -3.967 1.449 -11.522 1.00 0.61 H new ATOM 0 HB2 PHE A 105 -3.000 -0.463 -13.705 1.00 0.71 H new ATOM 0 HB3 PHE A 105 -2.575 1.237 -13.656 1.00 0.71 H new ATOM 0 HD1 PHE A 105 -1.055 2.117 -11.885 1.00 1.47 H new ATOM 0 HD2 PHE A 105 -1.887 -2.093 -12.290 1.00 1.98 H new ATOM 0 HE1 PHE A 105 1.008 1.584 -10.608 1.00 1.48 H new ATOM 0 HE2 PHE A 105 0.180 -2.620 -11.020 1.00 1.99 H new ATOM 0 HZ PHE A 105 1.635 -0.784 -10.191 1.00 0.75 H new ATOM 1668 N ALA A 106 -5.217 2.559 -13.375 1.00 0.59 N ATOM 1669 CA ALA A 106 -6.232 3.291 -14.134 1.00 0.62 C ATOM 1670 C ALA A 106 -6.325 2.879 -15.621 1.00 1.29 C ATOM 1671 O ALA A 106 -5.320 2.730 -16.325 1.00 2.12 O ATOM 1672 CB ALA A 106 -5.972 4.794 -13.980 1.00 1.18 C ATOM 0 H ALA A 106 -4.530 3.170 -12.934 1.00 0.59 H new ATOM 0 HA ALA A 106 -7.206 3.032 -13.718 1.00 0.62 H new ATOM 0 HB1 ALA A 106 -6.722 5.352 -14.541 1.00 1.18 H new ATOM 0 HB2 ALA A 106 -6.029 5.067 -12.926 1.00 1.18 H new ATOM 0 HB3 ALA A 106 -4.980 5.033 -14.363 1.00 1.18 H new ATOM 1678 N GLY A 107 -7.562 2.732 -16.113 1.00 1.99 N ATOM 1679 CA GLY A 107 -7.856 2.452 -17.525 1.00 2.90 C ATOM 1680 C GLY A 107 -7.547 1.013 -17.942 1.00 2.50 C ATOM 1681 O GLY A 107 -6.856 0.810 -18.939 1.00 3.81 O ATOM 0 H GLY A 107 -8.398 2.805 -15.534 1.00 1.99 H new ATOM 0 HA2 GLY A 107 -8.909 2.658 -17.716 1.00 2.90 H new ATOM 0 HA3 GLY A 107 -7.279 3.134 -18.150 1.00 2.90 H new ATOM 1685 N GLY A 108 -8.012 0.026 -17.169 1.00 1.39 N ATOM 1686 CA GLY A 108 -8.008 -1.391 -17.565 1.00 1.47 C ATOM 1687 C GLY A 108 -6.693 -2.142 -17.351 1.00 1.37 C ATOM 1688 O GLY A 108 -6.459 -3.131 -18.039 1.00 1.76 O ATOM 0 H GLY A 108 -8.406 0.187 -16.242 1.00 1.39 H new ATOM 0 HA2 GLY A 108 -8.792 -1.905 -17.009 1.00 1.47 H new ATOM 0 HA3 GLY A 108 -8.272 -1.454 -18.621 1.00 1.47 H new ATOM 1692 N LYS A 109 -5.818 -1.705 -16.436 1.00 1.03 N ATOM 1693 CA LYS A 109 -4.606 -2.440 -16.070 1.00 1.00 C ATOM 1694 C LYS A 109 -4.708 -3.055 -14.660 1.00 0.96 C ATOM 1695 O LYS A 109 -5.230 -2.438 -13.737 1.00 1.04 O ATOM 1696 CB LYS A 109 -3.402 -1.485 -16.117 1.00 1.00 C ATOM 1697 CG LYS A 109 -2.679 -1.388 -17.466 1.00 1.33 C ATOM 1698 CD LYS A 109 -3.397 -0.528 -18.518 1.00 2.57 C ATOM 1699 CE LYS A 109 -3.424 0.943 -18.085 1.00 3.40 C ATOM 1700 NZ LYS A 109 -4.233 1.775 -19.003 1.00 4.44 N ATOM 0 H LYS A 109 -5.934 -0.828 -15.928 1.00 1.03 H new ATOM 0 HA LYS A 109 -4.481 -3.255 -16.783 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -3.742 -0.488 -15.836 1.00 1.00 H new ATOM 0 HB3 LYS A 109 -2.682 -1.801 -15.362 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -1.682 -0.979 -17.300 1.00 1.33 H new ATOM 0 HG3 LYS A 109 -2.548 -2.393 -17.866 1.00 1.33 H new ATOM 0 HD2 LYS A 109 -2.891 -0.621 -19.479 1.00 2.57 H new ATOM 0 HD3 LYS A 109 -4.415 -0.890 -18.658 1.00 2.57 H new ATOM 0 HE2 LYS A 109 -3.830 1.017 -17.076 1.00 3.40 H new ATOM 0 HE3 LYS A 109 -2.405 1.329 -18.048 1.00 3.40 H new ATOM 0 HZ1 LYS A 109 -4.211 2.765 -18.684 1.00 4.44 H new ATOM 0 HZ2 LYS A 109 -3.842 1.712 -19.964 1.00 4.44 H new ATOM 0 HZ3 LYS A 109 -5.215 1.434 -19.006 1.00 4.44 H new ATOM 1714 N VAL A 110 -4.092 -4.217 -14.488 1.00 0.93 N ATOM 1715 CA VAL A 110 -3.804 -4.871 -13.221 1.00 0.87 C ATOM 1716 C VAL A 110 -2.526 -5.690 -13.399 1.00 0.96 C ATOM 1717 O VAL A 110 -2.341 -6.306 -14.448 1.00 1.12 O ATOM 1718 CB VAL A 110 -4.998 -5.729 -12.756 1.00 0.88 C ATOM 1719 CG1 VAL A 110 -5.531 -6.692 -13.832 1.00 1.02 C ATOM 1720 CG2 VAL A 110 -4.689 -6.518 -11.476 1.00 0.86 C ATOM 0 H VAL A 110 -3.759 -4.763 -15.283 1.00 0.93 H new ATOM 0 HA VAL A 110 -3.648 -4.133 -12.434 1.00 0.87 H new ATOM 0 HB VAL A 110 -5.783 -5.002 -12.548 1.00 0.88 H new ATOM 0 HG11 VAL A 110 -6.369 -7.260 -13.429 1.00 1.02 H new ATOM 0 HG12 VAL A 110 -5.863 -6.121 -14.699 1.00 1.02 H new ATOM 0 HG13 VAL A 110 -4.739 -7.378 -14.131 1.00 1.02 H new ATOM 0 HG21 VAL A 110 -5.562 -7.105 -11.191 1.00 0.86 H new ATOM 0 HG22 VAL A 110 -3.845 -7.185 -11.654 1.00 0.86 H new ATOM 0 HG23 VAL A 110 -4.440 -5.825 -10.672 1.00 0.86 H new ATOM 1730 N LEU A 111 -1.639 -5.643 -12.406 1.00 0.90 N ATOM 1731 CA LEU A 111 -0.375 -6.382 -12.382 1.00 0.99 C ATOM 1732 C LEU A 111 -0.279 -7.141 -11.059 1.00 1.02 C ATOM 1733 O LEU A 111 -0.110 -6.528 -10.005 1.00 1.00 O ATOM 1734 CB LEU A 111 0.810 -5.403 -12.520 1.00 1.06 C ATOM 1735 CG LEU A 111 0.869 -4.567 -13.817 1.00 1.19 C ATOM 1736 CD1 LEU A 111 2.037 -3.572 -13.735 1.00 1.52 C ATOM 1737 CD2 LEU A 111 1.046 -5.445 -15.065 1.00 1.62 C ATOM 0 H LEU A 111 -1.783 -5.074 -11.572 1.00 0.90 H new ATOM 0 HA LEU A 111 -0.339 -7.085 -13.214 1.00 0.99 H new ATOM 0 HB2 LEU A 111 0.785 -4.717 -11.673 1.00 1.06 H new ATOM 0 HB3 LEU A 111 1.735 -5.974 -12.441 1.00 1.06 H new ATOM 0 HG LEU A 111 -0.080 -4.039 -13.909 1.00 1.19 H new ATOM 0 HD11 LEU A 111 2.078 -2.982 -14.651 1.00 1.52 H new ATOM 0 HD12 LEU A 111 1.891 -2.909 -12.883 1.00 1.52 H new ATOM 0 HD13 LEU A 111 2.972 -4.118 -13.613 1.00 1.52 H new ATOM 0 HD21 LEU A 111 1.082 -4.813 -15.952 1.00 1.62 H new ATOM 0 HD22 LEU A 111 1.975 -6.010 -14.984 1.00 1.62 H new ATOM 0 HD23 LEU A 111 0.207 -6.136 -15.146 1.00 1.62 H new ATOM 1749 N LYS A 112 -0.382 -8.473 -11.087 1.00 1.27 N ATOM 1750 CA LYS A 112 -0.239 -9.259 -9.860 1.00 1.33 C ATOM 1751 C LYS A 112 1.238 -9.498 -9.501 1.00 1.45 C ATOM 1752 O LYS A 112 2.016 -9.960 -10.334 1.00 1.77 O ATOM 1753 CB LYS A 112 -1.141 -10.502 -9.877 1.00 1.67 C ATOM 1754 CG LYS A 112 -0.553 -11.792 -10.461 1.00 1.87 C ATOM 1755 CD LYS A 112 -1.637 -12.882 -10.437 1.00 2.04 C ATOM 1756 CE LYS A 112 -1.124 -14.209 -11.008 1.00 2.48 C ATOM 1757 NZ LYS A 112 -0.287 -14.942 -10.029 1.00 2.78 N ATOM 0 H LYS A 112 -0.560 -9.020 -11.929 1.00 1.27 H new ATOM 0 HA LYS A 112 -0.614 -8.675 -9.020 1.00 1.33 H new ATOM 0 HB2 LYS A 112 -1.452 -10.707 -8.852 1.00 1.67 H new ATOM 0 HB3 LYS A 112 -2.042 -10.257 -10.440 1.00 1.67 H new ATOM 0 HG2 LYS A 112 -0.210 -11.623 -11.482 1.00 1.87 H new ATOM 0 HG3 LYS A 112 0.314 -12.108 -9.881 1.00 1.87 H new ATOM 0 HD2 LYS A 112 -1.976 -13.034 -9.412 1.00 2.04 H new ATOM 0 HD3 LYS A 112 -2.500 -12.548 -11.013 1.00 2.04 H new ATOM 0 HE2 LYS A 112 -1.970 -14.831 -11.300 1.00 2.48 H new ATOM 0 HE3 LYS A 112 -0.544 -14.016 -11.910 1.00 2.48 H new ATOM 0 HZ1 LYS A 112 0.243 -15.691 -10.518 1.00 2.78 H new ATOM 0 HZ2 LYS A 112 0.380 -14.282 -9.580 1.00 2.78 H new ATOM 0 HZ3 LYS A 112 -0.896 -15.367 -9.301 1.00 2.78 H new ATOM 1771 N VAL A 113 1.613 -9.157 -8.269 1.00 1.26 N ATOM 1772 CA VAL A 113 2.960 -9.313 -7.693 1.00 1.31 C ATOM 1773 C VAL A 113 2.912 -10.242 -6.475 1.00 1.20 C ATOM 1774 O VAL A 113 1.835 -10.507 -5.949 1.00 1.14 O ATOM 1775 CB VAL A 113 3.587 -7.951 -7.300 1.00 1.34 C ATOM 1776 CG1 VAL A 113 3.675 -6.999 -8.505 1.00 1.60 C ATOM 1777 CG2 VAL A 113 2.870 -7.259 -6.124 1.00 1.34 C ATOM 0 H VAL A 113 0.957 -8.743 -7.607 1.00 1.26 H new ATOM 0 HA VAL A 113 3.593 -9.756 -8.462 1.00 1.31 H new ATOM 0 HB VAL A 113 4.596 -8.186 -6.960 1.00 1.34 H new ATOM 0 HG11 VAL A 113 4.120 -6.055 -8.191 1.00 1.60 H new ATOM 0 HG12 VAL A 113 4.293 -7.451 -9.281 1.00 1.60 H new ATOM 0 HG13 VAL A 113 2.675 -6.816 -8.898 1.00 1.60 H new ATOM 0 HG21 VAL A 113 3.363 -6.312 -5.904 1.00 1.34 H new ATOM 0 HG22 VAL A 113 1.830 -7.074 -6.391 1.00 1.34 H new ATOM 0 HG23 VAL A 113 2.910 -7.902 -5.244 1.00 1.34 H new ATOM 1787 N VAL A 114 4.082 -10.688 -6.004 1.00 1.24 N ATOM 1788 CA VAL A 114 4.249 -11.460 -4.763 1.00 1.16 C ATOM 1789 C VAL A 114 5.086 -10.668 -3.748 1.00 1.13 C ATOM 1790 O VAL A 114 6.051 -10.008 -4.127 1.00 1.27 O ATOM 1791 CB VAL A 114 4.843 -12.861 -5.051 1.00 1.30 C ATOM 1792 CG1 VAL A 114 6.273 -12.823 -5.619 1.00 1.57 C ATOM 1793 CG2 VAL A 114 4.792 -13.747 -3.799 1.00 2.08 C ATOM 0 H VAL A 114 4.964 -10.518 -6.487 1.00 1.24 H new ATOM 0 HA VAL A 114 3.267 -11.624 -4.319 1.00 1.16 H new ATOM 0 HB VAL A 114 4.213 -13.294 -5.829 1.00 1.30 H new ATOM 0 HG11 VAL A 114 6.622 -13.841 -5.795 1.00 1.57 H new ATOM 0 HG12 VAL A 114 6.277 -12.270 -6.558 1.00 1.57 H new ATOM 0 HG13 VAL A 114 6.935 -12.331 -4.906 1.00 1.57 H new ATOM 0 HG21 VAL A 114 5.215 -14.725 -4.028 1.00 2.08 H new ATOM 0 HG22 VAL A 114 5.368 -13.281 -3.000 1.00 2.08 H new ATOM 0 HG23 VAL A 114 3.757 -13.865 -3.479 1.00 2.08 H new ATOM 1803 N LEU A 115 4.693 -10.731 -2.471 1.00 1.05 N ATOM 1804 CA LEU A 115 5.299 -10.055 -1.313 1.00 1.08 C ATOM 1805 C LEU A 115 5.287 -11.044 -0.121 1.00 1.12 C ATOM 1806 O LEU A 115 4.262 -11.704 0.085 1.00 1.20 O ATOM 1807 CB LEU A 115 4.446 -8.819 -0.951 1.00 1.17 C ATOM 1808 CG LEU A 115 4.226 -7.765 -2.060 1.00 1.27 C ATOM 1809 CD1 LEU A 115 3.265 -6.695 -1.530 1.00 1.50 C ATOM 1810 CD2 LEU A 115 5.506 -7.067 -2.546 1.00 1.57 C ATOM 0 H LEU A 115 3.888 -11.294 -2.198 1.00 1.05 H new ATOM 0 HA LEU A 115 6.318 -9.743 -1.541 1.00 1.08 H new ATOM 0 HB2 LEU A 115 3.469 -9.168 -0.618 1.00 1.17 H new ATOM 0 HB3 LEU A 115 4.914 -8.323 -0.101 1.00 1.17 H new ATOM 0 HG LEU A 115 3.826 -8.305 -2.918 1.00 1.27 H new ATOM 0 HD11 LEU A 115 3.098 -5.942 -2.300 1.00 1.50 H new ATOM 0 HD12 LEU A 115 2.315 -7.159 -1.264 1.00 1.50 H new ATOM 0 HD13 LEU A 115 3.697 -6.222 -0.648 1.00 1.50 H new ATOM 0 HD21 LEU A 115 5.254 -6.345 -3.323 1.00 1.57 H new ATOM 0 HD22 LEU A 115 5.979 -6.551 -1.710 1.00 1.57 H new ATOM 0 HD23 LEU A 115 6.194 -7.809 -2.950 1.00 1.57 H new ATOM 1822 N PRO A 116 6.357 -11.176 0.685 1.00 1.16 N ATOM 1823 CA PRO A 116 6.370 -12.067 1.846 1.00 1.27 C ATOM 1824 C PRO A 116 5.538 -11.511 3.008 1.00 1.26 C ATOM 1825 O PRO A 116 5.370 -10.298 3.147 1.00 1.22 O ATOM 1826 CB PRO A 116 7.845 -12.206 2.238 1.00 1.37 C ATOM 1827 CG PRO A 116 8.447 -10.875 1.789 1.00 1.30 C ATOM 1828 CD PRO A 116 7.669 -10.574 0.510 1.00 1.17 C ATOM 0 HA PRO A 116 5.920 -13.030 1.605 1.00 1.27 H new ATOM 0 HB2 PRO A 116 7.965 -12.362 3.310 1.00 1.37 H new ATOM 0 HB3 PRO A 116 8.317 -13.052 1.738 1.00 1.37 H new ATOM 0 HG2 PRO A 116 8.312 -10.095 2.539 1.00 1.30 H new ATOM 0 HG3 PRO A 116 9.518 -10.956 1.603 1.00 1.30 H new ATOM 0 HD2 PRO A 116 7.586 -9.499 0.348 1.00 1.17 H new ATOM 0 HD3 PRO A 116 8.175 -10.990 -0.361 1.00 1.17 H new ATOM 1836 N VAL A 117 5.053 -12.399 3.876 1.00 1.35 N ATOM 1837 CA VAL A 117 4.444 -12.064 5.159 1.00 1.38 C ATOM 1838 C VAL A 117 5.545 -11.842 6.206 1.00 1.40 C ATOM 1839 O VAL A 117 6.335 -12.749 6.467 1.00 1.53 O ATOM 1840 CB VAL A 117 3.490 -13.182 5.633 1.00 1.42 C ATOM 1841 CG1 VAL A 117 2.821 -12.714 6.921 1.00 1.42 C ATOM 1842 CG2 VAL A 117 2.362 -13.492 4.638 1.00 1.58 C ATOM 0 H VAL A 117 5.075 -13.403 3.698 1.00 1.35 H new ATOM 0 HA VAL A 117 3.861 -11.151 5.035 1.00 1.38 H new ATOM 0 HB VAL A 117 4.093 -14.082 5.753 1.00 1.42 H new ATOM 0 HG11 VAL A 117 2.140 -13.486 7.279 1.00 1.42 H new ATOM 0 HG12 VAL A 117 3.582 -12.522 7.677 1.00 1.42 H new ATOM 0 HG13 VAL A 117 2.262 -11.798 6.729 1.00 1.42 H new ATOM 0 HG21 VAL A 117 1.732 -14.287 5.038 1.00 1.58 H new ATOM 0 HG22 VAL A 117 1.760 -12.597 4.480 1.00 1.58 H new ATOM 0 HG23 VAL A 117 2.792 -13.813 3.689 1.00 1.58 H new ATOM 1852 N GLU A 118 5.571 -10.666 6.843 1.00 1.33 N ATOM 1853 CA GLU A 118 6.622 -10.250 7.782 1.00 1.39 C ATOM 1854 C GLU A 118 6.118 -9.164 8.760 1.00 1.34 C ATOM 1855 O GLU A 118 5.030 -8.607 8.597 1.00 1.42 O ATOM 1856 CB GLU A 118 7.887 -9.827 6.991 1.00 1.89 C ATOM 1857 CG GLU A 118 9.110 -10.728 7.237 1.00 2.67 C ATOM 1858 CD GLU A 118 9.835 -10.354 8.522 1.00 2.96 C ATOM 1859 OE1 GLU A 118 9.212 -10.421 9.603 1.00 3.60 O ATOM 1860 OE2 GLU A 118 10.974 -9.842 8.452 1.00 3.48 O ATOM 0 H GLU A 118 4.846 -9.960 6.718 1.00 1.33 H new ATOM 0 HA GLU A 118 6.897 -11.095 8.413 1.00 1.39 H new ATOM 0 HB2 GLU A 118 7.655 -9.830 5.926 1.00 1.89 H new ATOM 0 HB3 GLU A 118 8.144 -8.802 7.258 1.00 1.89 H new ATOM 0 HG2 GLU A 118 8.791 -11.769 7.289 1.00 2.67 H new ATOM 0 HG3 GLU A 118 9.797 -10.647 6.395 1.00 2.67 H new ATOM 1867 N ALA A 119 6.885 -8.904 9.824 1.00 1.52 N ATOM 1868 CA ALA A 119 6.450 -8.149 11.003 1.00 1.66 C ATOM 1869 C ALA A 119 7.224 -6.830 11.223 1.00 1.96 C ATOM 1870 O ALA A 119 8.188 -6.780 11.992 1.00 2.52 O ATOM 1871 CB ALA A 119 6.564 -9.093 12.210 1.00 1.80 C ATOM 0 H ALA A 119 7.852 -9.222 9.890 1.00 1.52 H new ATOM 0 HA ALA A 119 5.420 -7.823 10.857 1.00 1.66 H new ATOM 0 HB1 ALA A 119 6.249 -8.569 13.113 1.00 1.80 H new ATOM 0 HB2 ALA A 119 5.926 -9.963 12.053 1.00 1.80 H new ATOM 0 HB3 ALA A 119 7.599 -9.418 12.322 1.00 1.80 H new ATOM 1877 N ARG A 120 6.785 -5.751 10.553 1.00 1.92 N ATOM 1878 CA ARG A 120 6.890 -4.357 11.052 1.00 1.74 C ATOM 1879 C ARG A 120 5.473 -3.798 11.196 1.00 1.85 C ATOM 1880 O ARG A 120 4.915 -3.863 12.310 1.00 2.21 O ATOM 1881 CB ARG A 120 7.707 -3.413 10.133 1.00 2.12 C ATOM 1882 CG ARG A 120 9.243 -3.446 10.189 1.00 2.50 C ATOM 1883 CD ARG A 120 9.912 -4.536 9.343 1.00 2.93 C ATOM 1884 NE ARG A 120 9.923 -5.817 10.044 1.00 3.72 N ATOM 1885 CZ ARG A 120 10.417 -6.962 9.635 1.00 4.97 C ATOM 1886 NH1 ARG A 120 10.971 -7.138 8.474 1.00 5.56 N ATOM 1887 NH2 ARG A 120 10.342 -7.986 10.418 1.00 6.19 N ATOM 1888 OXT ARG A 120 4.906 -3.382 10.161 1.00 2.66 O ATOM 0 H ARG A 120 6.341 -5.817 9.637 1.00 1.92 H new ATOM 0 HA ARG A 120 7.424 -4.397 12.001 1.00 1.74 H new ATOM 0 HB2 ARG A 120 7.413 -3.623 9.105 1.00 2.12 H new ATOM 0 HB3 ARG A 120 7.394 -2.392 10.352 1.00 2.12 H new ATOM 0 HG2 ARG A 120 9.622 -2.476 9.866 1.00 2.50 H new ATOM 0 HG3 ARG A 120 9.548 -3.578 11.227 1.00 2.50 H new ATOM 0 HD2 ARG A 120 9.382 -4.641 8.396 1.00 2.93 H new ATOM 0 HD3 ARG A 120 10.934 -4.240 9.106 1.00 2.93 H new ATOM 0 HE ARG A 120 9.492 -5.823 10.969 1.00 3.72 H new ATOM 0 HH11 ARG A 120 11.041 -6.359 7.819 1.00 5.56 H new ATOM 0 HH12 ARG A 120 11.336 -8.055 8.217 1.00 5.56 H new ATOM 0 HH21 ARG A 120 9.905 -7.896 11.335 1.00 6.19 H new ATOM 0 HH22 ARG A 120 10.720 -8.885 10.119 1.00 6.19 H new