USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 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 47 CYS SG : rot 44:sc= -0.567 USER MOD Set 1.2: A 137 HIS : no HE2:sc= -0.403 K(o=-0.97,f=-5.1!) USER MOD Set 2.1: A 79 SER OG : rot -170:sc= 0.297 USER MOD Set 2.2: A 105 SER OG : rot -177:sc= 1.26 USER MOD Set 3.1: A 62 TYR OH : rot 140:sc= 1.21 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.64 K(o=1.9,f=-2.6) USER MOD Single : A 7 TYR OH : rot 154:sc= 1.28 USER MOD Single : A 9 THR OG1 : rot -17:sc= 0.919 USER MOD Single : A 13 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.2!) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= 1.96 (180deg=0.762) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -137:sc= 1.28 USER MOD Single : A 32 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.8) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 2.28 (180deg=2.28) USER MOD Single : A 45 THR OG1 : rot 133:sc= 0.924 USER MOD Single : A 51 CYS SG : rot 45:sc= 0.998 USER MOD Single : A 53 THR OG1 : rot -118:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 52:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= -0.642 (180deg=-1.36!) USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1.15) USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= 0.293 (180deg=-0.444) USER MOD Single : A 74 GLN : amide:sc= 1.09 K(o=1.1,f=-0.48) USER MOD Single : A 93 TYR OH : rot 149:sc= 1.01 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 1.17 (180deg=-0.518!) USER MOD Single : A 98 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 100 SER OG : rot 133:sc= 1.32 USER MOD Single : A 107 SER OG : rot -88:sc= 1.32 USER MOD Single : A 116 GLN : amide:sc= 0.878 K(o=0.88,f=-7.9!) USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.0733 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.344 X(o=0.34,f=-0.017) USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= 0.309 (180deg=0.143) USER MOD Single : A 138 THR OG1 : rot -115:sc= 0.193 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -172:sc= 0.708 (180deg=0.539) USER MOD Single : A 153 TYR OH : rot 6:sc= 0.366 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -170:sc= 0.93 (180deg=0.536) USER MOD Single : A 161 THR OG1 : rot -76:sc= 0.0612 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.583 6.573 3.283 1.00 2.60 N ATOM 90 CA TYR A 7 16.251 5.266 3.363 1.00 2.46 C ATOM 91 C TYR A 7 15.569 4.104 2.606 1.00 1.98 C ATOM 92 O TYR A 7 16.144 3.017 2.546 1.00 1.97 O ATOM 93 CB TYR A 7 16.458 4.897 4.843 1.00 2.88 C ATOM 94 CG TYR A 7 15.243 4.264 5.502 1.00 3.22 C ATOM 95 CD1 TYR A 7 14.188 5.073 5.957 1.00 5.15 C ATOM 96 CD2 TYR A 7 15.141 2.858 5.600 1.00 2.75 C ATOM 97 CE1 TYR A 7 13.034 4.485 6.496 1.00 6.18 C ATOM 98 CE2 TYR A 7 13.980 2.261 6.129 1.00 3.72 C ATOM 99 CZ TYR A 7 12.923 3.083 6.587 1.00 5.31 C ATOM 100 OH TYR A 7 11.808 2.538 7.136 1.00 6.53 O ATOM 0 HA TYR A 7 17.200 5.394 2.843 1.00 2.46 H new ATOM 0 HB2 TYR A 7 17.299 4.208 4.920 1.00 2.88 H new ATOM 0 HB3 TYR A 7 16.730 5.796 5.396 1.00 2.88 H new ATOM 0 HD1 TYR A 7 14.266 6.148 5.892 1.00 5.15 H new ATOM 0 HD2 TYR A 7 15.959 2.237 5.267 1.00 2.75 H new ATOM 0 HE1 TYR A 7 12.225 5.111 6.844 1.00 6.18 H new ATOM 0 HE2 TYR A 7 13.897 1.186 6.185 1.00 3.72 H new ATOM 0 HH TYR A 7 11.674 1.636 6.777 1.00 6.53 H new ATOM 110 N GLY A 8 14.357 4.294 2.065 1.00 1.37 N ATOM 111 CA GLY A 8 13.637 3.281 1.286 1.00 0.86 C ATOM 112 C GLY A 8 14.315 3.026 -0.057 1.00 0.97 C ATOM 113 O GLY A 8 15.198 2.177 -0.179 1.00 2.11 O ATOM 0 H GLY A 8 13.843 5.170 2.159 1.00 1.37 H new ATOM 0 HA2 GLY A 8 13.588 2.351 1.853 1.00 0.86 H new ATOM 0 HA3 GLY A 8 12.611 3.609 1.121 1.00 0.86 H new ATOM 117 N THR A 9 13.909 3.790 -1.073 1.00 1.12 N ATOM 118 CA THR A 9 14.588 3.977 -2.368 1.00 1.10 C ATOM 119 C THR A 9 14.073 5.274 -2.984 1.00 1.30 C ATOM 120 O THR A 9 12.934 5.346 -3.450 1.00 1.21 O ATOM 121 CB THR A 9 14.330 2.822 -3.337 1.00 1.15 C ATOM 122 OG1 THR A 9 14.616 1.578 -2.746 1.00 1.30 O ATOM 123 CG2 THR A 9 15.196 2.930 -4.592 1.00 1.27 C ATOM 0 H THR A 9 13.045 4.330 -1.016 1.00 1.12 H new ATOM 0 HA THR A 9 15.663 4.012 -2.191 1.00 1.10 H new ATOM 0 HB THR A 9 13.274 2.888 -3.599 1.00 1.15 H new ATOM 0 HG1 THR A 9 15.164 1.715 -1.945 1.00 1.30 H new ATOM 0 HG21 THR A 9 14.983 2.091 -5.254 1.00 1.27 H new ATOM 0 HG22 THR A 9 14.975 3.865 -5.107 1.00 1.27 H new ATOM 0 HG23 THR A 9 16.249 2.911 -4.310 1.00 1.27 H new ATOM 131 N ARG A 10 14.887 6.328 -2.950 1.00 1.16 N ATOM 132 CA ARG A 10 14.466 7.669 -3.348 1.00 1.18 C ATOM 133 C ARG A 10 14.446 7.825 -4.869 1.00 1.53 C ATOM 134 O ARG A 10 15.435 7.583 -5.557 1.00 1.74 O ATOM 135 CB ARG A 10 15.369 8.704 -2.677 1.00 1.37 C ATOM 136 CG ARG A 10 14.891 10.148 -2.877 1.00 1.75 C ATOM 137 CD ARG A 10 13.492 10.451 -2.313 1.00 2.55 C ATOM 138 NE ARG A 10 13.269 11.900 -2.152 1.00 2.92 N ATOM 139 CZ ARG A 10 12.311 12.470 -1.426 1.00 3.78 C ATOM 140 NH1 ARG A 10 11.406 11.758 -0.787 1.00 4.72 N ATOM 141 NH2 ARG A 10 12.259 13.785 -1.316 1.00 4.36 N ATOM 0 H ARG A 10 15.859 6.275 -2.645 1.00 1.16 H new ATOM 0 HA ARG A 10 13.442 7.833 -3.013 1.00 1.18 H new ATOM 0 HB2 ARG A 10 15.423 8.491 -1.609 1.00 1.37 H new ATOM 0 HB3 ARG A 10 16.380 8.605 -3.073 1.00 1.37 H new ATOM 0 HG2 ARG A 10 15.609 10.821 -2.409 1.00 1.75 H new ATOM 0 HG3 ARG A 10 14.893 10.372 -3.944 1.00 1.75 H new ATOM 0 HD2 ARG A 10 12.734 10.038 -2.979 1.00 2.55 H new ATOM 0 HD3 ARG A 10 13.373 9.956 -1.349 1.00 2.55 H new ATOM 0 HE ARG A 10 13.909 12.524 -2.643 1.00 2.92 H new ATOM 0 HH11 ARG A 10 11.427 10.740 -0.841 1.00 4.72 H new ATOM 0 HH12 ARG A 10 10.684 12.225 -0.238 1.00 4.72 H new ATOM 0 HH21 ARG A 10 12.954 14.364 -1.788 1.00 4.36 H new ATOM 0 HH22 ARG A 10 11.524 14.222 -0.759 1.00 4.36 H new ATOM 155 N LEU A 11 13.309 8.280 -5.383 1.00 1.11 N ATOM 156 CA LEU A 11 13.084 8.401 -6.825 1.00 1.17 C ATOM 157 C LEU A 11 13.397 9.826 -7.298 1.00 1.69 C ATOM 158 O LEU A 11 12.687 10.767 -6.959 1.00 2.39 O ATOM 159 CB LEU A 11 11.649 7.950 -7.156 1.00 0.99 C ATOM 160 CG LEU A 11 11.410 6.442 -6.912 1.00 0.95 C ATOM 161 CD1 LEU A 11 9.920 6.143 -7.065 1.00 1.05 C ATOM 162 CD2 LEU A 11 12.208 5.550 -7.875 1.00 1.18 C ATOM 0 H LEU A 11 12.515 8.576 -4.815 1.00 1.11 H new ATOM 0 HA LEU A 11 13.763 7.746 -7.371 1.00 1.17 H new ATOM 0 HB2 LEU A 11 10.947 8.524 -6.552 1.00 0.99 H new ATOM 0 HB3 LEU A 11 11.435 8.181 -8.200 1.00 0.99 H new ATOM 0 HG LEU A 11 11.754 6.215 -5.903 1.00 0.95 H new ATOM 0 HD11 LEU A 11 9.743 5.081 -6.894 1.00 1.05 H new ATOM 0 HD12 LEU A 11 9.355 6.727 -6.338 1.00 1.05 H new ATOM 0 HD13 LEU A 11 9.597 6.408 -8.072 1.00 1.05 H new ATOM 0 HD21 LEU A 11 12.001 4.502 -7.657 1.00 1.18 H new ATOM 0 HD22 LEU A 11 11.917 5.771 -8.902 1.00 1.18 H new ATOM 0 HD23 LEU A 11 13.274 5.742 -7.751 1.00 1.18 H new ATOM 174 N LEU A 12 14.488 9.974 -8.061 1.00 1.28 N ATOM 175 CA LEU A 12 14.970 11.265 -8.577 1.00 1.45 C ATOM 176 C LEU A 12 14.207 11.716 -9.836 1.00 1.86 C ATOM 177 O LEU A 12 14.029 12.910 -10.051 1.00 2.40 O ATOM 178 CB LEU A 12 16.494 11.159 -8.828 1.00 1.54 C ATOM 179 CG LEU A 12 17.349 12.337 -8.314 1.00 2.32 C ATOM 180 CD1 LEU A 12 16.931 13.691 -8.904 1.00 4.14 C ATOM 181 CD2 LEU A 12 17.351 12.408 -6.779 1.00 3.20 C ATOM 0 H LEU A 12 15.072 9.187 -8.343 1.00 1.28 H new ATOM 0 HA LEU A 12 14.779 12.038 -7.832 1.00 1.45 H new ATOM 0 HB2 LEU A 12 16.856 10.243 -8.361 1.00 1.54 H new ATOM 0 HB3 LEU A 12 16.659 11.057 -9.901 1.00 1.54 H new ATOM 0 HG LEU A 12 18.363 12.134 -8.660 1.00 2.32 H new ATOM 0 HD11 LEU A 12 17.571 14.476 -8.502 1.00 4.14 H new ATOM 0 HD12 LEU A 12 17.031 13.661 -9.989 1.00 4.14 H new ATOM 0 HD13 LEU A 12 15.894 13.898 -8.640 1.00 4.14 H new ATOM 0 HD21 LEU A 12 17.963 13.249 -6.454 1.00 3.20 H new ATOM 0 HD22 LEU A 12 16.331 12.542 -6.420 1.00 3.20 H new ATOM 0 HD23 LEU A 12 17.761 11.483 -6.373 1.00 3.20 H new ATOM 193 N ASN A 13 13.705 10.768 -10.631 1.00 1.54 N ATOM 194 CA ASN A 13 12.669 10.996 -11.639 1.00 1.80 C ATOM 195 C ASN A 13 11.351 10.360 -11.134 1.00 1.69 C ATOM 196 O ASN A 13 11.088 9.192 -11.443 1.00 1.77 O ATOM 197 CB ASN A 13 13.157 10.435 -12.989 1.00 2.09 C ATOM 198 CG ASN A 13 12.229 10.788 -14.146 1.00 2.87 C ATOM 199 OD1 ASN A 13 11.096 11.212 -13.968 1.00 3.62 O ATOM 200 ND2 ASN A 13 12.693 10.644 -15.374 1.00 3.50 N ATOM 0 H ASN A 13 14.016 9.797 -10.590 1.00 1.54 H new ATOM 0 HA ASN A 13 12.472 12.056 -11.797 1.00 1.80 H new ATOM 0 HB2 ASN A 13 14.154 10.821 -13.198 1.00 2.09 H new ATOM 0 HB3 ASN A 13 13.244 9.351 -12.917 1.00 2.09 H new ATOM 0 HD21 ASN A 13 12.106 10.886 -16.173 1.00 3.50 H new ATOM 0 HD22 ASN A 13 13.638 10.290 -15.524 1.00 3.50 H new ATOM 207 N PRO A 14 10.587 11.062 -10.272 1.00 1.45 N ATOM 208 CA PRO A 14 9.443 10.488 -9.575 1.00 1.37 C ATOM 209 C PRO A 14 8.271 10.284 -10.536 1.00 1.57 C ATOM 210 O PRO A 14 7.689 11.233 -11.057 1.00 1.63 O ATOM 211 CB PRO A 14 9.141 11.463 -8.433 1.00 1.39 C ATOM 212 CG PRO A 14 9.642 12.808 -8.956 1.00 1.48 C ATOM 213 CD PRO A 14 10.862 12.401 -9.765 1.00 1.55 C ATOM 0 HA PRO A 14 9.641 9.494 -9.175 1.00 1.37 H new ATOM 0 HB2 PRO A 14 8.075 11.495 -8.206 1.00 1.39 H new ATOM 0 HB3 PRO A 14 9.654 11.175 -7.515 1.00 1.39 H new ATOM 0 HG2 PRO A 14 8.895 13.310 -9.570 1.00 1.48 H new ATOM 0 HG3 PRO A 14 9.899 13.490 -8.146 1.00 1.48 H new ATOM 0 HD2 PRO A 14 11.036 13.099 -10.584 1.00 1.55 H new ATOM 0 HD3 PRO A 14 11.759 12.406 -9.146 1.00 1.55 H new ATOM 221 N LYS A 15 7.938 9.019 -10.794 1.00 1.33 N ATOM 222 CA LYS A 15 7.023 8.643 -11.873 1.00 1.46 C ATOM 223 C LYS A 15 5.570 9.012 -11.524 1.00 1.45 C ATOM 224 O LYS A 15 5.062 8.518 -10.514 1.00 1.46 O ATOM 225 CB LYS A 15 7.168 7.142 -12.150 1.00 1.57 C ATOM 226 CG LYS A 15 6.456 6.685 -13.442 1.00 1.79 C ATOM 227 CD LYS A 15 5.585 5.426 -13.314 1.00 2.24 C ATOM 228 CE LYS A 15 6.351 4.177 -12.854 1.00 2.63 C ATOM 229 NZ LYS A 15 5.540 2.954 -13.072 1.00 3.31 N ATOM 0 H LYS A 15 8.295 8.226 -10.261 1.00 1.33 H new ATOM 0 HA LYS A 15 7.281 9.198 -12.775 1.00 1.46 H new ATOM 0 HB2 LYS A 15 8.227 6.894 -12.220 1.00 1.57 H new ATOM 0 HB3 LYS A 15 6.765 6.584 -11.305 1.00 1.57 H new ATOM 0 HG2 LYS A 15 5.830 7.503 -13.798 1.00 1.79 H new ATOM 0 HG3 LYS A 15 7.211 6.505 -14.207 1.00 1.79 H new ATOM 0 HD2 LYS A 15 4.779 5.625 -12.608 1.00 2.24 H new ATOM 0 HD3 LYS A 15 5.120 5.219 -14.278 1.00 2.24 H new ATOM 0 HE2 LYS A 15 7.290 4.099 -13.401 1.00 2.63 H new ATOM 0 HE3 LYS A 15 6.604 4.268 -11.798 1.00 2.63 H new ATOM 0 HZ1 LYS A 15 5.749 2.261 -12.325 1.00 3.31 H new ATOM 0 HZ2 LYS A 15 4.529 3.198 -13.044 1.00 3.31 H new ATOM 0 HZ3 LYS A 15 5.772 2.544 -13.999 1.00 3.31 H new ATOM 243 N PRO A 16 4.888 9.853 -12.323 1.00 1.30 N ATOM 244 CA PRO A 16 3.515 10.261 -12.056 1.00 1.21 C ATOM 245 C PRO A 16 2.591 9.051 -12.237 1.00 1.29 C ATOM 246 O PRO A 16 2.883 8.178 -13.055 1.00 1.25 O ATOM 247 CB PRO A 16 3.231 11.412 -13.022 1.00 1.33 C ATOM 248 CG PRO A 16 4.181 11.160 -14.194 1.00 1.38 C ATOM 249 CD PRO A 16 5.361 10.401 -13.580 1.00 1.45 C ATOM 0 HA PRO A 16 3.347 10.607 -11.036 1.00 1.21 H new ATOM 0 HB2 PRO A 16 2.190 11.413 -13.346 1.00 1.33 H new ATOM 0 HB3 PRO A 16 3.421 12.379 -12.556 1.00 1.33 H new ATOM 0 HG2 PRO A 16 3.698 10.575 -14.977 1.00 1.38 H new ATOM 0 HG3 PRO A 16 4.505 12.096 -14.649 1.00 1.38 H new ATOM 0 HD2 PRO A 16 5.701 9.608 -14.246 1.00 1.45 H new ATOM 0 HD3 PRO A 16 6.209 11.067 -13.419 1.00 1.45 H new ATOM 257 N VAL A 17 1.513 8.987 -11.450 1.00 0.87 N ATOM 258 CA VAL A 17 0.636 7.812 -11.320 1.00 0.78 C ATOM 259 C VAL A 17 -0.780 8.224 -10.888 1.00 1.13 C ATOM 260 O VAL A 17 -0.948 9.049 -9.992 1.00 1.17 O ATOM 261 CB VAL A 17 1.185 6.764 -10.307 1.00 0.76 C ATOM 262 CG1 VAL A 17 2.348 5.920 -10.862 1.00 0.96 C ATOM 263 CG2 VAL A 17 1.659 7.369 -8.971 1.00 0.85 C ATOM 0 H VAL A 17 1.215 9.770 -10.869 1.00 0.87 H new ATOM 0 HA VAL A 17 0.605 7.351 -12.307 1.00 0.78 H new ATOM 0 HB VAL A 17 0.316 6.130 -10.131 1.00 0.76 H new ATOM 0 HG11 VAL A 17 2.679 5.212 -10.102 1.00 0.96 H new ATOM 0 HG12 VAL A 17 2.013 5.375 -11.744 1.00 0.96 H new ATOM 0 HG13 VAL A 17 3.176 6.575 -11.133 1.00 0.96 H new ATOM 0 HG21 VAL A 17 2.026 6.574 -8.322 1.00 0.85 H new ATOM 0 HG22 VAL A 17 2.460 8.083 -9.159 1.00 0.85 H new ATOM 0 HG23 VAL A 17 0.826 7.878 -8.486 1.00 0.85 H new ATOM 273 N ASP A 18 -1.789 7.586 -11.487 1.00 0.76 N ATOM 274 CA ASP A 18 -3.175 7.537 -11.011 1.00 0.73 C ATOM 275 C ASP A 18 -3.862 6.258 -11.516 1.00 1.12 C ATOM 276 O ASP A 18 -3.471 5.694 -12.536 1.00 1.66 O ATOM 277 CB ASP A 18 -3.980 8.791 -11.406 1.00 0.76 C ATOM 278 CG ASP A 18 -5.363 8.841 -10.735 1.00 1.08 C ATOM 279 OD1 ASP A 18 -5.531 8.278 -9.629 1.00 2.08 O ATOM 280 OD2 ASP A 18 -6.277 9.522 -11.253 1.00 2.02 O ATOM 0 H ASP A 18 -1.657 7.067 -12.355 1.00 0.76 H new ATOM 0 HA ASP A 18 -3.146 7.519 -9.922 1.00 0.73 H new ATOM 0 HB2 ASP A 18 -3.415 9.682 -11.132 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.104 8.812 -12.489 1.00 0.76 H new ATOM 285 N PHE A 19 -4.878 5.803 -10.786 1.00 0.82 N ATOM 286 CA PHE A 19 -5.678 4.620 -11.083 1.00 0.90 C ATOM 287 C PHE A 19 -7.114 4.808 -10.578 1.00 1.61 C ATOM 288 O PHE A 19 -7.368 5.671 -9.739 1.00 1.70 O ATOM 289 CB PHE A 19 -5.012 3.379 -10.456 1.00 1.08 C ATOM 290 CG PHE A 19 -4.916 3.349 -8.932 1.00 1.12 C ATOM 291 CD1 PHE A 19 -6.060 3.086 -8.149 1.00 1.83 C ATOM 292 CD2 PHE A 19 -3.674 3.527 -8.288 1.00 2.22 C ATOM 293 CE1 PHE A 19 -5.971 3.025 -6.747 1.00 1.74 C ATOM 294 CE2 PHE A 19 -3.584 3.450 -6.885 1.00 2.17 C ATOM 295 CZ PHE A 19 -4.732 3.199 -6.114 1.00 1.39 C ATOM 0 H PHE A 19 -5.179 6.272 -9.932 1.00 0.82 H new ATOM 0 HA PHE A 19 -5.729 4.472 -12.162 1.00 0.90 H new ATOM 0 HB2 PHE A 19 -5.564 2.496 -10.780 1.00 1.08 H new ATOM 0 HB3 PHE A 19 -4.004 3.292 -10.862 1.00 1.08 H new ATOM 0 HD1 PHE A 19 -7.014 2.930 -8.631 1.00 1.83 H new ATOM 0 HD2 PHE A 19 -2.788 3.723 -8.874 1.00 2.22 H new ATOM 0 HE1 PHE A 19 -6.858 2.844 -6.157 1.00 1.74 H new ATOM 0 HE2 PHE A 19 -2.629 3.584 -6.399 1.00 2.17 H new ATOM 0 HZ PHE A 19 -4.660 3.140 -5.038 1.00 1.39 H new ATOM 305 N ALA A 20 -8.043 3.957 -11.024 1.00 0.81 N ATOM 306 CA ALA A 20 -9.399 3.853 -10.482 1.00 0.76 C ATOM 307 C ALA A 20 -9.680 2.434 -9.954 1.00 0.93 C ATOM 308 O ALA A 20 -9.519 1.458 -10.684 1.00 1.04 O ATOM 309 CB ALA A 20 -10.385 4.255 -11.586 1.00 0.97 C ATOM 0 H ALA A 20 -7.868 3.307 -11.790 1.00 0.81 H new ATOM 0 HA ALA A 20 -9.514 4.524 -9.630 1.00 0.76 H new ATOM 0 HB1 ALA A 20 -11.404 4.186 -11.206 1.00 0.97 H new ATOM 0 HB2 ALA A 20 -10.183 5.279 -11.899 1.00 0.97 H new ATOM 0 HB3 ALA A 20 -10.269 3.586 -12.439 1.00 0.97 H new ATOM 315 N LEU A 21 -10.124 2.338 -8.697 1.00 0.74 N ATOM 316 CA LEU A 21 -10.458 1.090 -8.004 1.00 0.71 C ATOM 317 C LEU A 21 -11.845 1.158 -7.367 1.00 1.03 C ATOM 318 O LEU A 21 -12.408 2.236 -7.157 1.00 1.18 O ATOM 319 CB LEU A 21 -9.407 0.791 -6.910 1.00 0.70 C ATOM 320 CG LEU A 21 -8.531 -0.461 -7.099 1.00 0.81 C ATOM 321 CD1 LEU A 21 -9.346 -1.761 -7.161 1.00 1.23 C ATOM 322 CD2 LEU A 21 -7.635 -0.354 -8.335 1.00 1.28 C ATOM 0 H LEU A 21 -10.266 3.161 -8.111 1.00 0.74 H new ATOM 0 HA LEU A 21 -10.458 0.291 -8.745 1.00 0.71 H new ATOM 0 HB2 LEU A 21 -8.748 1.655 -6.830 1.00 0.70 H new ATOM 0 HB3 LEU A 21 -9.928 0.698 -5.957 1.00 0.70 H new ATOM 0 HG LEU A 21 -7.901 -0.506 -6.211 1.00 0.81 H new ATOM 0 HD11 LEU A 21 -8.672 -2.607 -7.295 1.00 1.23 H new ATOM 0 HD12 LEU A 21 -9.904 -1.885 -6.233 1.00 1.23 H new ATOM 0 HD13 LEU A 21 -10.041 -1.715 -7.999 1.00 1.23 H new ATOM 0 HD21 LEU A 21 -7.035 -1.259 -8.429 1.00 1.28 H new ATOM 0 HD22 LEU A 21 -8.254 -0.235 -9.224 1.00 1.28 H new ATOM 0 HD23 LEU A 21 -6.977 0.509 -8.234 1.00 1.28 H new ATOM 334 N GLU A 22 -12.347 -0.011 -6.978 1.00 0.70 N ATOM 335 CA GLU A 22 -13.591 -0.176 -6.239 1.00 0.63 C ATOM 336 C GLU A 22 -13.303 -0.357 -4.748 1.00 0.95 C ATOM 337 O GLU A 22 -12.393 -1.078 -4.338 1.00 1.15 O ATOM 338 CB GLU A 22 -14.367 -1.372 -6.799 1.00 0.62 C ATOM 339 CG GLU A 22 -15.003 -1.032 -8.154 1.00 1.60 C ATOM 340 CD GLU A 22 -14.783 -2.147 -9.174 1.00 2.26 C ATOM 341 OE1 GLU A 22 -15.454 -3.192 -9.074 1.00 2.73 O ATOM 342 OE2 GLU A 22 -13.887 -2.010 -10.036 1.00 3.27 O ATOM 0 H GLU A 22 -11.882 -0.897 -7.176 1.00 0.70 H new ATOM 0 HA GLU A 22 -14.202 0.719 -6.355 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -13.697 -2.224 -6.912 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -15.143 -1.669 -6.094 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -16.072 -0.864 -8.023 1.00 1.60 H new ATOM 0 HG3 GLU A 22 -14.578 -0.102 -8.533 1.00 1.60 H new ATOM 349 N GLY A 23 -14.114 0.326 -3.942 1.00 0.69 N ATOM 350 CA GLY A 23 -14.105 0.264 -2.481 1.00 0.75 C ATOM 351 C GLY A 23 -15.503 -0.028 -1.928 1.00 0.89 C ATOM 352 O GLY A 23 -16.492 0.226 -2.625 1.00 1.11 O ATOM 0 H GLY A 23 -14.824 0.963 -4.303 1.00 0.69 H new ATOM 0 HA2 GLY A 23 -13.412 -0.511 -2.152 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -13.742 1.209 -2.077 1.00 0.75 H new ATOM 356 N PRO A 24 -15.621 -0.501 -0.670 1.00 0.65 N ATOM 357 CA PRO A 24 -16.884 -0.946 -0.064 1.00 0.80 C ATOM 358 C PRO A 24 -17.846 0.203 0.318 1.00 1.11 C ATOM 359 O PRO A 24 -18.682 0.045 1.200 1.00 1.24 O ATOM 360 CB PRO A 24 -16.445 -1.808 1.132 1.00 0.82 C ATOM 361 CG PRO A 24 -15.140 -1.154 1.575 1.00 0.77 C ATOM 362 CD PRO A 24 -14.509 -0.731 0.249 1.00 0.60 C ATOM 0 HA PRO A 24 -17.490 -1.509 -0.774 1.00 0.80 H new ATOM 0 HB2 PRO A 24 -17.189 -1.800 1.928 1.00 0.82 H new ATOM 0 HB3 PRO A 24 -16.296 -2.849 0.845 1.00 0.82 H new ATOM 0 HG2 PRO A 24 -15.317 -0.301 2.230 1.00 0.77 H new ATOM 0 HG3 PRO A 24 -14.504 -1.850 2.122 1.00 0.77 H new ATOM 0 HD2 PRO A 24 -13.911 0.172 0.372 1.00 0.60 H new ATOM 0 HD3 PRO A 24 -13.843 -1.505 -0.131 1.00 0.60 H new ATOM 370 N GLN A 25 -17.743 1.362 -0.344 1.00 1.01 N ATOM 371 CA GLN A 25 -18.561 2.559 -0.124 1.00 1.21 C ATOM 372 C GLN A 25 -18.488 3.535 -1.317 1.00 1.51 C ATOM 373 O GLN A 25 -18.746 4.724 -1.148 1.00 2.00 O ATOM 374 CB GLN A 25 -18.199 3.228 1.219 1.00 1.35 C ATOM 375 CG GLN A 25 -16.754 3.749 1.297 1.00 2.63 C ATOM 376 CD GLN A 25 -16.502 4.462 2.623 1.00 3.07 C ATOM 377 OE1 GLN A 25 -15.887 3.931 3.531 1.00 3.66 O ATOM 378 NE2 GLN A 25 -16.980 5.679 2.799 1.00 3.76 N ATOM 0 H GLN A 25 -17.053 1.496 -1.083 1.00 1.01 H new ATOM 0 HA GLN A 25 -19.604 2.249 -0.058 1.00 1.21 H new ATOM 0 HB2 GLN A 25 -18.882 4.059 1.393 1.00 1.35 H new ATOM 0 HB3 GLN A 25 -18.358 2.510 2.024 1.00 1.35 H new ATOM 0 HG2 GLN A 25 -16.057 2.918 1.189 1.00 2.63 H new ATOM 0 HG3 GLN A 25 -16.565 4.433 0.470 1.00 2.63 H new ATOM 0 HE21 GLN A 25 -17.497 6.137 2.049 1.00 3.76 H new ATOM 0 HE22 GLN A 25 -16.832 6.162 3.685 1.00 3.76 H new ATOM 387 N GLY A 26 -18.114 3.056 -2.516 1.00 1.24 N ATOM 388 CA GLY A 26 -17.924 3.868 -3.726 1.00 1.44 C ATOM 389 C GLY A 26 -16.560 3.633 -4.399 1.00 1.26 C ATOM 390 O GLY A 26 -15.670 3.040 -3.783 1.00 1.22 O ATOM 0 H GLY A 26 -17.931 2.065 -2.672 1.00 1.24 H new ATOM 0 HA2 GLY A 26 -18.718 3.641 -4.438 1.00 1.44 H new ATOM 0 HA3 GLY A 26 -18.019 4.923 -3.468 1.00 1.44 H new ATOM 394 N PRO A 27 -16.380 4.056 -5.666 1.00 1.13 N ATOM 395 CA PRO A 27 -15.110 3.943 -6.381 1.00 1.10 C ATOM 396 C PRO A 27 -14.129 5.027 -5.918 1.00 1.22 C ATOM 397 O PRO A 27 -14.547 6.122 -5.549 1.00 1.19 O ATOM 398 CB PRO A 27 -15.468 4.098 -7.861 1.00 1.15 C ATOM 399 CG PRO A 27 -16.673 5.043 -7.822 1.00 1.19 C ATOM 400 CD PRO A 27 -17.393 4.649 -6.529 1.00 1.28 C ATOM 0 HA PRO A 27 -14.613 2.992 -6.192 1.00 1.10 H new ATOM 0 HB2 PRO A 27 -14.642 4.519 -8.435 1.00 1.15 H new ATOM 0 HB3 PRO A 27 -15.719 3.141 -8.319 1.00 1.15 H new ATOM 0 HG2 PRO A 27 -16.363 6.088 -7.807 1.00 1.19 H new ATOM 0 HG3 PRO A 27 -17.314 4.913 -8.694 1.00 1.19 H new ATOM 0 HD2 PRO A 27 -17.847 5.519 -6.055 1.00 1.28 H new ATOM 0 HD3 PRO A 27 -18.196 3.940 -6.731 1.00 1.28 H new ATOM 408 N VAL A 28 -12.825 4.734 -5.951 1.00 0.78 N ATOM 409 CA VAL A 28 -11.777 5.617 -5.404 1.00 0.78 C ATOM 410 C VAL A 28 -10.550 5.612 -6.313 1.00 0.95 C ATOM 411 O VAL A 28 -10.160 4.560 -6.821 1.00 0.91 O ATOM 412 CB VAL A 28 -11.370 5.205 -3.964 1.00 0.94 C ATOM 413 CG1 VAL A 28 -10.356 6.196 -3.365 1.00 1.48 C ATOM 414 CG2 VAL A 28 -12.568 5.143 -2.999 1.00 1.66 C ATOM 0 H VAL A 28 -12.460 3.874 -6.359 1.00 0.78 H new ATOM 0 HA VAL A 28 -12.190 6.625 -5.360 1.00 0.78 H new ATOM 0 HB VAL A 28 -10.934 4.211 -4.065 1.00 0.94 H new ATOM 0 HG11 VAL A 28 -10.091 5.880 -2.356 1.00 1.48 H new ATOM 0 HG12 VAL A 28 -9.460 6.219 -3.985 1.00 1.48 H new ATOM 0 HG13 VAL A 28 -10.798 7.192 -3.329 1.00 1.48 H new ATOM 0 HG21 VAL A 28 -12.222 4.850 -2.008 1.00 1.66 H new ATOM 0 HG22 VAL A 28 -13.041 6.123 -2.943 1.00 1.66 H new ATOM 0 HG23 VAL A 28 -13.290 4.412 -3.362 1.00 1.66 H new ATOM 424 N ARG A 29 -9.941 6.787 -6.505 1.00 0.70 N ATOM 425 CA ARG A 29 -8.679 6.951 -7.242 1.00 0.69 C ATOM 426 C ARG A 29 -7.492 7.289 -6.333 1.00 1.26 C ATOM 427 O ARG A 29 -7.675 7.718 -5.196 1.00 1.57 O ATOM 428 CB ARG A 29 -8.789 8.048 -8.312 1.00 0.85 C ATOM 429 CG ARG A 29 -9.869 7.829 -9.368 1.00 0.92 C ATOM 430 CD ARG A 29 -9.651 8.869 -10.471 1.00 1.50 C ATOM 431 NE ARG A 29 -10.614 8.706 -11.568 1.00 1.96 N ATOM 432 CZ ARG A 29 -11.888 9.074 -11.547 1.00 3.17 C ATOM 433 NH1 ARG A 29 -12.435 9.668 -10.502 1.00 3.98 N ATOM 434 NH2 ARG A 29 -12.632 8.832 -12.607 1.00 4.51 N ATOM 0 H ARG A 29 -10.315 7.666 -6.148 1.00 0.70 H new ATOM 0 HA ARG A 29 -8.496 5.983 -7.710 1.00 0.69 H new ATOM 0 HB2 ARG A 29 -8.979 8.999 -7.814 1.00 0.85 H new ATOM 0 HB3 ARG A 29 -7.826 8.139 -8.815 1.00 0.85 H new ATOM 0 HG2 ARG A 29 -9.808 6.820 -9.775 1.00 0.92 H new ATOM 0 HG3 ARG A 29 -10.861 7.937 -8.930 1.00 0.92 H new ATOM 0 HD2 ARG A 29 -9.744 9.870 -10.051 1.00 1.50 H new ATOM 0 HD3 ARG A 29 -8.637 8.780 -10.860 1.00 1.50 H new ATOM 0 HE ARG A 29 -10.272 8.270 -12.424 1.00 1.96 H new ATOM 0 HH11 ARG A 29 -11.874 9.859 -9.672 1.00 3.98 H new ATOM 0 HH12 ARG A 29 -13.419 9.936 -10.525 1.00 3.98 H new ATOM 0 HH21 ARG A 29 -12.226 8.371 -13.421 1.00 4.51 H new ATOM 0 HH22 ARG A 29 -13.614 9.106 -12.614 1.00 4.51 H new ATOM 448 N LEU A 30 -6.274 7.220 -6.871 1.00 0.66 N ATOM 449 CA LEU A 30 -5.067 7.753 -6.224 1.00 0.76 C ATOM 450 C LEU A 30 -5.003 9.287 -6.315 1.00 1.08 C ATOM 451 O LEU A 30 -4.566 9.946 -5.376 1.00 1.23 O ATOM 452 CB LEU A 30 -3.870 7.078 -6.901 1.00 0.82 C ATOM 453 CG LEU A 30 -2.487 7.467 -6.355 1.00 1.02 C ATOM 454 CD1 LEU A 30 -2.337 7.102 -4.870 1.00 1.85 C ATOM 455 CD2 LEU A 30 -1.444 6.736 -7.206 1.00 2.33 C ATOM 0 H LEU A 30 -6.092 6.789 -7.777 1.00 0.66 H new ATOM 0 HA LEU A 30 -5.069 7.533 -5.156 1.00 0.76 H new ATOM 0 HB2 LEU A 30 -3.986 5.998 -6.809 1.00 0.82 H new ATOM 0 HB3 LEU A 30 -3.899 7.312 -7.965 1.00 0.82 H new ATOM 0 HG LEU A 30 -2.352 8.547 -6.417 1.00 1.02 H new ATOM 0 HD11 LEU A 30 -1.346 7.393 -4.522 1.00 1.85 H new ATOM 0 HD12 LEU A 30 -3.095 7.627 -4.288 1.00 1.85 H new ATOM 0 HD13 LEU A 30 -2.464 6.027 -4.745 1.00 1.85 H new ATOM 0 HD21 LEU A 30 -0.444 6.986 -6.850 1.00 2.33 H new ATOM 0 HD22 LEU A 30 -1.599 5.660 -7.127 1.00 2.33 H new ATOM 0 HD23 LEU A 30 -1.545 7.041 -8.247 1.00 2.33 H new ATOM 467 N SER A 31 -5.517 9.873 -7.395 1.00 0.92 N ATOM 468 CA SER A 31 -5.669 11.327 -7.543 1.00 1.10 C ATOM 469 C SER A 31 -6.546 11.974 -6.461 1.00 1.37 C ATOM 470 O SER A 31 -6.362 13.156 -6.184 1.00 1.87 O ATOM 471 CB SER A 31 -6.205 11.683 -8.935 1.00 1.17 C ATOM 472 OG SER A 31 -7.309 10.875 -9.309 1.00 1.30 O ATOM 0 H SER A 31 -5.845 9.348 -8.205 1.00 0.92 H new ATOM 0 HA SER A 31 -4.668 11.739 -7.417 1.00 1.10 H new ATOM 0 HB2 SER A 31 -6.503 12.731 -8.950 1.00 1.17 H new ATOM 0 HB3 SER A 31 -5.408 11.568 -9.669 1.00 1.17 H new ATOM 0 HG SER A 31 -7.208 10.595 -10.243 1.00 1.30 H new ATOM 478 N GLN A 32 -7.416 11.220 -5.773 1.00 0.99 N ATOM 479 CA GLN A 32 -8.197 11.734 -4.637 1.00 1.07 C ATOM 480 C GLN A 32 -7.308 12.117 -3.441 1.00 1.46 C ATOM 481 O GLN A 32 -7.770 12.824 -2.548 1.00 1.58 O ATOM 482 CB GLN A 32 -9.238 10.701 -4.150 1.00 1.13 C ATOM 483 CG GLN A 32 -10.103 9.981 -5.203 1.00 1.42 C ATOM 484 CD GLN A 32 -10.943 10.847 -6.140 1.00 2.32 C ATOM 485 OE1 GLN A 32 -11.131 10.533 -7.310 1.00 3.02 O ATOM 486 NE2 GLN A 32 -11.510 11.934 -5.666 1.00 2.95 N ATOM 0 H GLN A 32 -7.598 10.239 -5.987 1.00 0.99 H new ATOM 0 HA GLN A 32 -8.702 12.626 -5.009 1.00 1.07 H new ATOM 0 HB2 GLN A 32 -8.708 9.939 -3.579 1.00 1.13 H new ATOM 0 HB3 GLN A 32 -9.911 11.208 -3.458 1.00 1.13 H new ATOM 0 HG2 GLN A 32 -9.444 9.365 -5.815 1.00 1.42 H new ATOM 0 HG3 GLN A 32 -10.776 9.303 -4.678 1.00 1.42 H new ATOM 0 HE21 GLN A 32 -11.361 12.205 -4.694 1.00 2.95 H new ATOM 0 HE22 GLN A 32 -12.099 12.507 -6.270 1.00 2.95 H new ATOM 495 N PHE A 33 -6.055 11.647 -3.400 1.00 1.02 N ATOM 496 CA PHE A 33 -5.157 11.747 -2.251 1.00 1.10 C ATOM 497 C PHE A 33 -3.797 12.366 -2.620 1.00 2.11 C ATOM 498 O PHE A 33 -2.814 12.115 -1.931 1.00 2.57 O ATOM 499 CB PHE A 33 -4.979 10.337 -1.651 1.00 1.26 C ATOM 500 CG PHE A 33 -6.253 9.570 -1.354 1.00 0.98 C ATOM 501 CD1 PHE A 33 -7.243 10.122 -0.516 1.00 2.12 C ATOM 502 CD2 PHE A 33 -6.448 8.294 -1.914 1.00 2.01 C ATOM 503 CE1 PHE A 33 -8.432 9.417 -0.268 1.00 2.23 C ATOM 504 CE2 PHE A 33 -7.632 7.584 -1.653 1.00 1.89 C ATOM 505 CZ PHE A 33 -8.629 8.148 -0.841 1.00 1.24 C ATOM 0 H PHE A 33 -5.627 11.171 -4.195 1.00 1.02 H new ATOM 0 HA PHE A 33 -5.601 12.417 -1.515 1.00 1.10 H new ATOM 0 HB2 PHE A 33 -4.376 9.745 -2.339 1.00 1.26 H new ATOM 0 HB3 PHE A 33 -4.410 10.428 -0.726 1.00 1.26 H new ATOM 0 HD1 PHE A 33 -7.087 11.090 -0.063 1.00 2.12 H new ATOM 0 HD2 PHE A 33 -5.687 7.860 -2.545 1.00 2.01 H new ATOM 0 HE1 PHE A 33 -9.195 9.849 0.363 1.00 2.23 H new ATOM 0 HE2 PHE A 33 -7.776 6.602 -2.078 1.00 1.89 H new ATOM 0 HZ PHE A 33 -9.546 7.608 -0.657 1.00 1.24 H new ATOM 515 N GLN A 34 -3.694 13.147 -3.701 1.00 0.97 N ATOM 516 CA GLN A 34 -2.397 13.683 -4.160 1.00 1.13 C ATOM 517 C GLN A 34 -1.657 14.630 -3.178 1.00 1.45 C ATOM 518 O GLN A 34 -0.456 14.835 -3.360 1.00 2.09 O ATOM 519 CB GLN A 34 -2.530 14.317 -5.558 1.00 1.30 C ATOM 520 CG GLN A 34 -3.507 15.504 -5.627 1.00 1.58 C ATOM 521 CD GLN A 34 -3.004 16.620 -6.543 1.00 2.49 C ATOM 522 OE1 GLN A 34 -3.360 16.730 -7.703 1.00 2.59 O ATOM 523 NE2 GLN A 34 -2.135 17.485 -6.069 1.00 3.68 N ATOM 0 H GLN A 34 -4.489 13.425 -4.277 1.00 0.97 H new ATOM 0 HA GLN A 34 -1.749 12.808 -4.208 1.00 1.13 H new ATOM 0 HB2 GLN A 34 -1.546 14.652 -5.887 1.00 1.30 H new ATOM 0 HB3 GLN A 34 -2.857 13.551 -6.261 1.00 1.30 H new ATOM 0 HG2 GLN A 34 -4.476 15.154 -5.984 1.00 1.58 H new ATOM 0 HG3 GLN A 34 -3.662 15.903 -4.624 1.00 1.58 H new ATOM 0 HE21 GLN A 34 -1.821 17.414 -5.101 1.00 3.68 H new ATOM 0 HE22 GLN A 34 -1.775 18.227 -6.669 1.00 3.68 H new ATOM 532 N ASP A 35 -2.329 15.176 -2.151 1.00 1.25 N ATOM 533 CA ASP A 35 -1.725 15.911 -1.009 1.00 1.53 C ATOM 534 C ASP A 35 -0.926 14.994 -0.054 1.00 1.75 C ATOM 535 O ASP A 35 -0.061 15.420 0.711 1.00 2.06 O ATOM 536 CB ASP A 35 -2.895 16.568 -0.248 1.00 1.84 C ATOM 537 CG ASP A 35 -2.546 17.147 1.138 1.00 3.05 C ATOM 538 OD1 ASP A 35 -1.743 18.101 1.201 1.00 3.83 O ATOM 539 OD2 ASP A 35 -3.141 16.651 2.127 1.00 3.90 O ATOM 0 H ASP A 35 -3.345 15.120 -2.083 1.00 1.25 H new ATOM 0 HA ASP A 35 -1.010 16.641 -1.387 1.00 1.53 H new ATOM 0 HB2 ASP A 35 -3.302 17.369 -0.865 1.00 1.84 H new ATOM 0 HB3 ASP A 35 -3.686 15.828 -0.124 1.00 1.84 H new ATOM 544 N LYS A 36 -1.264 13.707 -0.068 1.00 1.42 N ATOM 545 CA LYS A 36 -0.905 12.748 0.965 1.00 1.57 C ATOM 546 C LYS A 36 0.371 11.969 0.635 1.00 1.73 C ATOM 547 O LYS A 36 0.884 11.963 -0.480 1.00 1.81 O ATOM 548 CB LYS A 36 -2.111 11.817 1.223 1.00 1.82 C ATOM 549 CG LYS A 36 -3.434 12.516 1.455 1.00 1.95 C ATOM 550 CD LYS A 36 -3.323 13.431 2.658 1.00 1.76 C ATOM 551 CE LYS A 36 -4.725 13.954 2.853 1.00 1.83 C ATOM 552 NZ LYS A 36 -4.723 15.136 3.741 1.00 2.03 N ATOM 0 H LYS A 36 -1.812 13.294 -0.823 1.00 1.42 H new ATOM 0 HA LYS A 36 -0.671 13.293 1.880 1.00 1.57 H new ATOM 0 HB2 LYS A 36 -2.219 11.146 0.371 1.00 1.82 H new ATOM 0 HB3 LYS A 36 -1.890 11.197 2.092 1.00 1.82 H new ATOM 0 HG2 LYS A 36 -3.712 13.092 0.572 1.00 1.95 H new ATOM 0 HG3 LYS A 36 -4.222 11.780 1.617 1.00 1.95 H new ATOM 0 HD2 LYS A 36 -2.973 12.892 3.538 1.00 1.76 H new ATOM 0 HD3 LYS A 36 -2.617 14.241 2.479 1.00 1.76 H new ATOM 0 HE2 LYS A 36 -5.157 14.219 1.888 1.00 1.83 H new ATOM 0 HE3 LYS A 36 -5.354 13.173 3.280 1.00 1.83 H new ATOM 0 HZ1 LYS A 36 -5.697 15.481 3.862 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 -4.331 14.873 4.668 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 -4.140 15.887 3.318 1.00 2.03 H new ATOM 566 N VAL A 37 0.857 11.277 1.649 1.00 1.52 N ATOM 567 CA VAL A 37 1.995 10.377 1.648 1.00 1.51 C ATOM 568 C VAL A 37 1.351 8.991 1.667 1.00 1.76 C ATOM 569 O VAL A 37 1.099 8.423 2.730 1.00 2.34 O ATOM 570 CB VAL A 37 2.918 10.641 2.866 1.00 1.45 C ATOM 571 CG1 VAL A 37 4.265 9.946 2.648 1.00 1.59 C ATOM 572 CG2 VAL A 37 3.167 12.140 3.129 1.00 1.38 C ATOM 0 H VAL A 37 0.429 11.336 2.573 1.00 1.52 H new ATOM 0 HA VAL A 37 2.653 10.502 0.788 1.00 1.51 H new ATOM 0 HB VAL A 37 2.404 10.240 3.739 1.00 1.45 H new ATOM 0 HG11 VAL A 37 4.913 10.132 3.504 1.00 1.59 H new ATOM 0 HG12 VAL A 37 4.107 8.873 2.538 1.00 1.59 H new ATOM 0 HG13 VAL A 37 4.735 10.338 1.746 1.00 1.59 H new ATOM 0 HG21 VAL A 37 3.820 12.254 3.994 1.00 1.38 H new ATOM 0 HG22 VAL A 37 3.640 12.589 2.256 1.00 1.38 H new ATOM 0 HG23 VAL A 37 2.217 12.638 3.323 1.00 1.38 H new ATOM 582 N VAL A 38 0.959 8.529 0.477 1.00 1.04 N ATOM 583 CA VAL A 38 0.048 7.386 0.331 1.00 0.86 C ATOM 584 C VAL A 38 0.875 6.131 0.121 1.00 1.13 C ATOM 585 O VAL A 38 1.694 6.076 -0.801 1.00 1.15 O ATOM 586 CB VAL A 38 -0.936 7.528 -0.852 1.00 0.82 C ATOM 587 CG1 VAL A 38 -1.935 6.359 -0.890 1.00 0.95 C ATOM 588 CG2 VAL A 38 -1.721 8.837 -0.780 1.00 1.13 C ATOM 0 H VAL A 38 1.261 8.933 -0.410 1.00 1.04 H new ATOM 0 HA VAL A 38 -0.550 7.337 1.241 1.00 0.86 H new ATOM 0 HB VAL A 38 -0.330 7.523 -1.758 1.00 0.82 H new ATOM 0 HG11 VAL A 38 -2.614 6.488 -1.733 1.00 0.95 H new ATOM 0 HG12 VAL A 38 -1.392 5.420 -1.001 1.00 0.95 H new ATOM 0 HG13 VAL A 38 -2.508 6.340 0.037 1.00 0.95 H new ATOM 0 HG21 VAL A 38 -2.402 8.900 -1.629 1.00 1.13 H new ATOM 0 HG22 VAL A 38 -2.293 8.868 0.147 1.00 1.13 H new ATOM 0 HG23 VAL A 38 -1.029 9.678 -0.807 1.00 1.13 H new ATOM 598 N LEU A 39 0.637 5.144 0.985 1.00 0.86 N ATOM 599 CA LEU A 39 1.293 3.840 0.938 1.00 0.89 C ATOM 600 C LEU A 39 0.360 2.838 0.251 1.00 1.30 C ATOM 601 O LEU A 39 -0.667 2.431 0.796 1.00 1.40 O ATOM 602 CB LEU A 39 1.699 3.391 2.352 1.00 0.99 C ATOM 603 CG LEU A 39 3.041 3.983 2.836 1.00 1.21 C ATOM 604 CD1 LEU A 39 3.014 5.506 3.050 1.00 2.04 C ATOM 605 CD2 LEU A 39 3.445 3.301 4.147 1.00 1.59 C ATOM 0 H LEU A 39 -0.030 5.232 1.751 1.00 0.86 H new ATOM 0 HA LEU A 39 2.212 3.902 0.356 1.00 0.89 H new ATOM 0 HB2 LEU A 39 0.914 3.676 3.052 1.00 0.99 H new ATOM 0 HB3 LEU A 39 1.765 2.303 2.372 1.00 0.99 H new ATOM 0 HG LEU A 39 3.765 3.795 2.043 1.00 1.21 H new ATOM 0 HD11 LEU A 39 3.993 5.843 3.389 1.00 2.04 H new ATOM 0 HD12 LEU A 39 2.765 6.001 2.111 1.00 2.04 H new ATOM 0 HD13 LEU A 39 2.264 5.755 3.801 1.00 2.04 H new ATOM 0 HD21 LEU A 39 4.392 3.714 4.495 1.00 1.59 H new ATOM 0 HD22 LEU A 39 2.675 3.474 4.899 1.00 1.59 H new ATOM 0 HD23 LEU A 39 3.556 2.229 3.981 1.00 1.59 H new ATOM 617 N LEU A 40 0.745 2.451 -0.965 1.00 0.80 N ATOM 618 CA LEU A 40 0.023 1.511 -1.818 1.00 0.81 C ATOM 619 C LEU A 40 0.664 0.129 -1.702 1.00 1.15 C ATOM 620 O LEU A 40 1.864 0.010 -1.929 1.00 1.31 O ATOM 621 CB LEU A 40 0.079 2.023 -3.276 1.00 0.81 C ATOM 622 CG LEU A 40 -1.286 2.328 -3.898 1.00 0.95 C ATOM 623 CD1 LEU A 40 -2.181 1.090 -3.923 1.00 1.87 C ATOM 624 CD2 LEU A 40 -1.951 3.535 -3.229 1.00 1.98 C ATOM 0 H LEU A 40 1.601 2.798 -1.398 1.00 0.80 H new ATOM 0 HA LEU A 40 -1.019 1.434 -1.508 1.00 0.81 H new ATOM 0 HB2 LEU A 40 0.687 2.927 -3.307 1.00 0.81 H new ATOM 0 HB3 LEU A 40 0.585 1.277 -3.890 1.00 0.81 H new ATOM 0 HG LEU A 40 -1.125 2.607 -4.939 1.00 0.95 H new ATOM 0 HD11 LEU A 40 -3.141 1.344 -4.371 1.00 1.87 H new ATOM 0 HD12 LEU A 40 -1.702 0.307 -4.511 1.00 1.87 H new ATOM 0 HD13 LEU A 40 -2.339 0.734 -2.905 1.00 1.87 H new ATOM 0 HD21 LEU A 40 -2.918 3.723 -3.696 1.00 1.98 H new ATOM 0 HD22 LEU A 40 -2.094 3.330 -2.168 1.00 1.98 H new ATOM 0 HD23 LEU A 40 -1.315 4.412 -3.347 1.00 1.98 H new ATOM 636 N PHE A 41 -0.121 -0.898 -1.367 1.00 0.94 N ATOM 637 CA PHE A 41 0.362 -2.245 -1.040 1.00 0.86 C ATOM 638 C PHE A 41 -0.501 -3.303 -1.749 1.00 1.60 C ATOM 639 O PHE A 41 -1.724 -3.320 -1.577 1.00 1.86 O ATOM 640 CB PHE A 41 0.311 -2.390 0.497 1.00 0.84 C ATOM 641 CG PHE A 41 0.996 -3.578 1.170 1.00 0.78 C ATOM 642 CD1 PHE A 41 1.963 -4.369 0.515 1.00 1.97 C ATOM 643 CD2 PHE A 41 0.724 -3.822 2.532 1.00 1.81 C ATOM 644 CE1 PHE A 41 2.643 -5.381 1.217 1.00 1.91 C ATOM 645 CE2 PHE A 41 1.410 -4.829 3.234 1.00 1.77 C ATOM 646 CZ PHE A 41 2.376 -5.607 2.575 1.00 1.02 C ATOM 0 H PHE A 41 -1.136 -0.815 -1.314 1.00 0.94 H new ATOM 0 HA PHE A 41 1.385 -2.396 -1.385 1.00 0.86 H new ATOM 0 HB2 PHE A 41 0.739 -1.483 0.924 1.00 0.84 H new ATOM 0 HB3 PHE A 41 -0.739 -2.413 0.787 1.00 0.84 H new ATOM 0 HD1 PHE A 41 2.182 -4.197 -0.529 1.00 1.97 H new ATOM 0 HD2 PHE A 41 -0.020 -3.228 3.042 1.00 1.81 H new ATOM 0 HE1 PHE A 41 3.376 -5.988 0.706 1.00 1.91 H new ATOM 0 HE2 PHE A 41 1.195 -5.004 4.278 1.00 1.77 H new ATOM 0 HZ PHE A 41 2.911 -6.376 3.112 1.00 1.02 H new ATOM 656 N PHE A 42 0.126 -4.175 -2.548 1.00 0.91 N ATOM 657 CA PHE A 42 -0.558 -5.187 -3.367 1.00 0.93 C ATOM 658 C PHE A 42 -0.377 -6.598 -2.797 1.00 1.92 C ATOM 659 O PHE A 42 0.717 -7.172 -2.854 1.00 2.37 O ATOM 660 CB PHE A 42 -0.061 -5.112 -4.814 1.00 1.01 C ATOM 661 CG PHE A 42 -0.587 -3.906 -5.562 1.00 1.09 C ATOM 662 CD1 PHE A 42 0.035 -2.652 -5.407 1.00 1.61 C ATOM 663 CD2 PHE A 42 -1.702 -4.032 -6.414 1.00 2.33 C ATOM 664 CE1 PHE A 42 -0.444 -1.540 -6.114 1.00 1.67 C ATOM 665 CE2 PHE A 42 -2.181 -2.914 -7.121 1.00 2.29 C ATOM 666 CZ PHE A 42 -1.549 -1.670 -6.969 1.00 1.20 C ATOM 0 H PHE A 42 1.141 -4.199 -2.646 1.00 0.91 H new ATOM 0 HA PHE A 42 -1.626 -4.971 -3.348 1.00 0.93 H new ATOM 0 HB2 PHE A 42 1.029 -5.086 -4.816 1.00 1.01 H new ATOM 0 HB3 PHE A 42 -0.360 -6.018 -5.342 1.00 1.01 H new ATOM 0 HD1 PHE A 42 0.881 -2.547 -4.744 1.00 1.61 H new ATOM 0 HD2 PHE A 42 -2.190 -4.989 -6.525 1.00 2.33 H new ATOM 0 HE1 PHE A 42 0.039 -0.581 -6.000 1.00 1.67 H new ATOM 0 HE2 PHE A 42 -3.032 -3.013 -7.778 1.00 2.29 H new ATOM 0 HZ PHE A 42 -1.914 -0.811 -7.512 1.00 1.20 H new ATOM 676 N GLY A 43 -1.460 -7.152 -2.243 1.00 0.94 N ATOM 677 CA GLY A 43 -1.517 -8.511 -1.709 1.00 1.15 C ATOM 678 C GLY A 43 -2.858 -9.211 -1.917 1.00 1.11 C ATOM 679 O GLY A 43 -3.885 -8.588 -2.167 1.00 0.98 O ATOM 0 H GLY A 43 -2.344 -6.651 -2.152 1.00 0.94 H new ATOM 0 HA2 GLY A 43 -0.733 -9.106 -2.177 1.00 1.15 H new ATOM 0 HA3 GLY A 43 -1.299 -8.479 -0.642 1.00 1.15 H new ATOM 683 N PHE A 44 -2.831 -10.525 -1.736 1.00 1.47 N ATOM 684 CA PHE A 44 -3.984 -11.421 -1.589 1.00 1.39 C ATOM 685 C PHE A 44 -4.258 -11.576 -0.101 1.00 1.77 C ATOM 686 O PHE A 44 -3.315 -11.727 0.687 1.00 2.38 O ATOM 687 CB PHE A 44 -3.596 -12.740 -2.282 1.00 1.49 C ATOM 688 CG PHE A 44 -4.476 -13.967 -2.117 1.00 1.73 C ATOM 689 CD1 PHE A 44 -5.546 -14.193 -3.001 1.00 3.22 C ATOM 690 CD2 PHE A 44 -4.098 -14.983 -1.214 1.00 2.37 C ATOM 691 CE1 PHE A 44 -6.209 -15.433 -3.007 1.00 4.01 C ATOM 692 CE2 PHE A 44 -4.770 -16.220 -1.214 1.00 3.29 C ATOM 693 CZ PHE A 44 -5.822 -16.450 -2.118 1.00 3.78 C ATOM 0 H PHE A 44 -1.948 -11.032 -1.684 1.00 1.47 H new ATOM 0 HA PHE A 44 -4.901 -11.049 -2.047 1.00 1.39 H new ATOM 0 HB2 PHE A 44 -3.520 -12.536 -3.350 1.00 1.49 H new ATOM 0 HB3 PHE A 44 -2.597 -13.007 -1.936 1.00 1.49 H new ATOM 0 HD1 PHE A 44 -5.860 -13.412 -3.677 1.00 3.22 H new ATOM 0 HD2 PHE A 44 -3.289 -14.811 -0.519 1.00 2.37 H new ATOM 0 HE1 PHE A 44 -7.020 -15.605 -3.699 1.00 4.01 H new ATOM 0 HE2 PHE A 44 -4.477 -16.993 -0.519 1.00 3.29 H new ATOM 0 HZ PHE A 44 -6.330 -17.403 -2.129 1.00 3.78 H new ATOM 703 N THR A 45 -5.525 -11.453 0.306 1.00 1.38 N ATOM 704 CA THR A 45 -5.882 -11.297 1.721 1.00 1.36 C ATOM 705 C THR A 45 -5.422 -12.515 2.509 1.00 1.58 C ATOM 706 O THR A 45 -5.313 -13.618 1.979 1.00 2.97 O ATOM 707 CB THR A 45 -7.362 -10.962 1.937 1.00 1.43 C ATOM 708 OG1 THR A 45 -7.800 -10.036 0.986 1.00 2.34 O ATOM 709 CG2 THR A 45 -7.548 -10.213 3.243 1.00 1.07 C ATOM 0 H THR A 45 -6.325 -11.458 -0.327 1.00 1.38 H new ATOM 0 HA THR A 45 -5.351 -10.427 2.107 1.00 1.36 H new ATOM 0 HB THR A 45 -7.898 -11.910 1.897 1.00 1.43 H new ATOM 0 HG1 THR A 45 -8.654 -10.333 0.609 1.00 2.34 H new ATOM 0 HG21 THR A 45 -8.604 -9.982 3.383 1.00 1.07 H new ATOM 0 HG22 THR A 45 -7.199 -10.832 4.070 1.00 1.07 H new ATOM 0 HG23 THR A 45 -6.974 -9.287 3.216 1.00 1.07 H new ATOM 717 N ARG A 46 -5.054 -12.281 3.768 1.00 1.88 N ATOM 718 CA ARG A 46 -4.292 -13.173 4.655 1.00 2.45 C ATOM 719 C ARG A 46 -2.792 -13.068 4.340 1.00 2.53 C ATOM 720 O ARG A 46 -2.033 -12.741 5.251 1.00 3.96 O ATOM 721 CB ARG A 46 -4.752 -14.648 4.643 1.00 2.89 C ATOM 722 CG ARG A 46 -6.267 -14.808 4.879 1.00 3.53 C ATOM 723 CD ARG A 46 -6.757 -16.260 4.801 1.00 3.93 C ATOM 724 NE ARG A 46 -6.401 -16.960 3.549 1.00 3.87 N ATOM 725 CZ ARG A 46 -6.835 -16.715 2.314 1.00 4.98 C ATOM 726 NH1 ARG A 46 -7.567 -15.668 1.996 1.00 6.04 N ATOM 727 NH2 ARG A 46 -6.525 -17.556 1.352 1.00 5.76 N ATOM 0 H ARG A 46 -5.295 -11.405 4.231 1.00 1.88 H new ATOM 0 HA ARG A 46 -4.491 -12.825 5.669 1.00 2.45 H new ATOM 0 HB2 ARG A 46 -4.490 -15.097 3.685 1.00 2.89 H new ATOM 0 HB3 ARG A 46 -4.210 -15.198 5.412 1.00 2.89 H new ATOM 0 HG2 ARG A 46 -6.517 -14.402 5.859 1.00 3.53 H new ATOM 0 HG3 ARG A 46 -6.805 -14.213 4.141 1.00 3.53 H new ATOM 0 HD2 ARG A 46 -6.344 -16.815 5.643 1.00 3.93 H new ATOM 0 HD3 ARG A 46 -7.841 -16.271 4.913 1.00 3.93 H new ATOM 0 HE ARG A 46 -5.738 -17.729 3.643 1.00 3.87 H new ATOM 0 HH11 ARG A 46 -7.830 -14.993 2.714 1.00 6.04 H new ATOM 0 HH12 ARG A 46 -7.871 -15.532 1.032 1.00 6.04 H new ATOM 0 HH21 ARG A 46 -5.961 -18.380 1.558 1.00 5.76 H new ATOM 0 HH22 ARG A 46 -6.849 -17.384 0.400 1.00 5.76 H new ATOM 741 N CYS A 47 -2.381 -13.251 3.070 1.00 1.39 N ATOM 742 CA CYS A 47 -0.965 -13.324 2.631 1.00 1.73 C ATOM 743 C CYS A 47 -0.256 -14.557 3.252 1.00 1.90 C ATOM 744 O CYS A 47 -0.948 -15.377 3.861 1.00 2.39 O ATOM 745 CB CYS A 47 -0.295 -11.967 2.922 1.00 2.24 C ATOM 746 SG CYS A 47 -0.266 -11.002 1.392 1.00 3.68 S ATOM 0 H CYS A 47 -3.039 -13.355 2.297 1.00 1.39 H new ATOM 0 HA CYS A 47 -0.889 -13.488 1.556 1.00 1.73 H new ATOM 0 HB2 CYS A 47 -0.844 -11.432 3.697 1.00 2.24 H new ATOM 0 HB3 CYS A 47 0.718 -12.117 3.295 1.00 2.24 H new ATOM 0 HG CYS A 47 -1.417 -11.099 0.796 1.00 3.68 H new ATOM 752 N PRO A 48 1.069 -14.742 3.076 1.00 2.05 N ATOM 753 CA PRO A 48 1.831 -15.675 3.898 1.00 2.39 C ATOM 754 C PRO A 48 2.058 -15.072 5.290 1.00 2.14 C ATOM 755 O PRO A 48 1.483 -15.566 6.255 1.00 2.29 O ATOM 756 CB PRO A 48 3.118 -15.971 3.121 1.00 3.03 C ATOM 757 CG PRO A 48 3.315 -14.747 2.228 1.00 2.95 C ATOM 758 CD PRO A 48 1.895 -14.222 1.987 1.00 2.45 C ATOM 0 HA PRO A 48 1.310 -16.615 4.081 1.00 2.39 H new ATOM 0 HB2 PRO A 48 3.964 -16.112 3.793 1.00 3.03 H new ATOM 0 HB3 PRO A 48 3.025 -16.882 2.530 1.00 3.03 H new ATOM 0 HG2 PRO A 48 3.939 -13.997 2.713 1.00 2.95 H new ATOM 0 HG3 PRO A 48 3.805 -15.013 1.291 1.00 2.95 H new ATOM 0 HD2 PRO A 48 1.881 -13.132 1.976 1.00 2.45 H new ATOM 0 HD3 PRO A 48 1.517 -14.555 1.020 1.00 2.45 H new ATOM 766 N ASP A 49 2.856 -14.004 5.402 1.00 1.87 N ATOM 767 CA ASP A 49 3.360 -13.497 6.691 1.00 1.71 C ATOM 768 C ASP A 49 3.650 -11.988 6.658 1.00 1.50 C ATOM 769 O ASP A 49 3.171 -11.220 7.488 1.00 1.55 O ATOM 770 CB ASP A 49 4.629 -14.292 7.073 1.00 1.97 C ATOM 771 CG ASP A 49 5.801 -14.270 6.070 1.00 3.98 C ATOM 772 OD1 ASP A 49 5.586 -13.858 4.901 1.00 5.35 O ATOM 773 OD2 ASP A 49 6.916 -14.647 6.483 1.00 4.75 O ATOM 0 H ASP A 49 3.174 -13.462 4.599 1.00 1.87 H new ATOM 0 HA ASP A 49 2.585 -13.640 7.444 1.00 1.71 H new ATOM 0 HB2 ASP A 49 4.993 -13.910 8.027 1.00 1.97 H new ATOM 0 HB3 ASP A 49 4.341 -15.331 7.234 1.00 1.97 H new ATOM 778 N VAL A 50 4.382 -11.570 5.635 1.00 1.45 N ATOM 779 CA VAL A 50 4.776 -10.208 5.277 1.00 1.37 C ATOM 780 C VAL A 50 3.680 -9.145 5.410 1.00 1.45 C ATOM 781 O VAL A 50 3.942 -8.036 5.863 1.00 1.62 O ATOM 782 CB VAL A 50 5.305 -10.257 3.825 1.00 1.51 C ATOM 783 CG1 VAL A 50 4.273 -10.838 2.821 1.00 1.44 C ATOM 784 CG2 VAL A 50 5.793 -8.887 3.343 1.00 2.19 C ATOM 0 H VAL A 50 4.754 -12.243 4.965 1.00 1.45 H new ATOM 0 HA VAL A 50 5.534 -9.890 5.993 1.00 1.37 H new ATOM 0 HB VAL A 50 6.155 -10.938 3.852 1.00 1.51 H new ATOM 0 HG11 VAL A 50 4.704 -10.846 1.820 1.00 1.44 H new ATOM 0 HG12 VAL A 50 4.015 -11.856 3.113 1.00 1.44 H new ATOM 0 HG13 VAL A 50 3.375 -10.221 2.824 1.00 1.44 H new ATOM 0 HG21 VAL A 50 6.155 -8.970 2.318 1.00 2.19 H new ATOM 0 HG22 VAL A 50 4.970 -8.174 3.380 1.00 2.19 H new ATOM 0 HG23 VAL A 50 6.602 -8.542 3.987 1.00 2.19 H new ATOM 794 N CYS A 51 2.439 -9.441 5.011 1.00 1.51 N ATOM 795 CA CYS A 51 1.377 -8.437 5.020 1.00 1.63 C ATOM 796 C CYS A 51 0.939 -8.061 6.447 1.00 1.57 C ATOM 797 O CYS A 51 0.995 -6.869 6.745 1.00 1.69 O ATOM 798 CB CYS A 51 0.246 -8.860 4.084 1.00 2.01 C ATOM 799 SG CYS A 51 -0.856 -7.457 3.798 1.00 2.42 S ATOM 0 H CYS A 51 2.149 -10.361 4.681 1.00 1.51 H new ATOM 0 HA CYS A 51 1.765 -7.501 4.619 1.00 1.63 H new ATOM 0 HB2 CYS A 51 0.656 -9.213 3.138 1.00 2.01 H new ATOM 0 HB3 CYS A 51 -0.310 -9.690 4.520 1.00 2.01 H new ATOM 0 HG CYS A 51 -0.150 -6.389 3.572 1.00 2.42 H new ATOM 805 N PRO A 52 0.563 -9.007 7.337 1.00 1.36 N ATOM 806 CA PRO A 52 0.240 -8.666 8.716 1.00 1.32 C ATOM 807 C PRO A 52 1.424 -8.082 9.501 1.00 1.37 C ATOM 808 O PRO A 52 1.162 -7.232 10.348 1.00 1.19 O ATOM 809 CB PRO A 52 -0.339 -9.936 9.356 1.00 1.51 C ATOM 810 CG PRO A 52 0.130 -11.073 8.456 1.00 1.58 C ATOM 811 CD PRO A 52 0.236 -10.406 7.083 1.00 1.58 C ATOM 0 HA PRO A 52 -0.491 -7.858 8.738 1.00 1.32 H new ATOM 0 HB2 PRO A 52 0.022 -10.065 10.377 1.00 1.51 H new ATOM 0 HB3 PRO A 52 -1.427 -9.893 9.405 1.00 1.51 H new ATOM 0 HG2 PRO A 52 1.088 -11.477 8.783 1.00 1.58 H new ATOM 0 HG3 PRO A 52 -0.579 -11.900 8.449 1.00 1.58 H new ATOM 0 HD2 PRO A 52 1.006 -10.882 6.477 1.00 1.58 H new ATOM 0 HD3 PRO A 52 -0.701 -10.494 6.534 1.00 1.58 H new ATOM 819 N THR A 53 2.693 -8.450 9.233 1.00 1.07 N ATOM 820 CA THR A 53 3.838 -7.803 9.908 1.00 0.97 C ATOM 821 C THR A 53 4.043 -6.357 9.442 1.00 1.08 C ATOM 822 O THR A 53 3.974 -5.444 10.272 1.00 0.99 O ATOM 823 CB THR A 53 5.094 -8.685 9.889 1.00 1.06 C ATOM 824 OG1 THR A 53 6.095 -8.050 10.642 1.00 2.83 O ATOM 825 CG2 THR A 53 5.655 -9.148 8.554 1.00 2.48 C ATOM 0 H THR A 53 2.949 -9.178 8.566 1.00 1.07 H new ATOM 0 HA THR A 53 3.595 -7.708 10.966 1.00 0.97 H new ATOM 0 HB THR A 53 4.751 -9.626 10.318 1.00 1.06 H new ATOM 0 HG1 THR A 53 6.859 -7.846 10.064 1.00 2.83 H new ATOM 0 HG21 THR A 53 6.541 -9.760 8.724 1.00 2.48 H new ATOM 0 HG22 THR A 53 4.903 -9.736 8.028 1.00 2.48 H new ATOM 0 HG23 THR A 53 5.924 -8.280 7.952 1.00 2.48 H new ATOM 833 N THR A 54 4.123 -6.110 8.129 1.00 0.93 N ATOM 834 CA THR A 54 4.095 -4.754 7.535 1.00 0.84 C ATOM 835 C THR A 54 2.922 -3.920 8.050 1.00 0.88 C ATOM 836 O THR A 54 3.143 -2.799 8.492 1.00 0.92 O ATOM 837 CB THR A 54 4.138 -4.810 6.001 1.00 0.94 C ATOM 838 OG1 THR A 54 5.441 -5.108 5.561 1.00 1.48 O ATOM 839 CG2 THR A 54 3.817 -3.465 5.335 1.00 1.07 C ATOM 0 H THR A 54 4.210 -6.851 7.434 1.00 0.93 H new ATOM 0 HA THR A 54 5.000 -4.243 7.863 1.00 0.84 H new ATOM 0 HB THR A 54 3.398 -5.563 5.730 1.00 0.94 H new ATOM 0 HG1 THR A 54 5.764 -5.913 6.017 1.00 1.48 H new ATOM 0 HG21 THR A 54 3.865 -3.575 4.252 1.00 1.07 H new ATOM 0 HG22 THR A 54 2.815 -3.146 5.624 1.00 1.07 H new ATOM 0 HG23 THR A 54 4.542 -2.718 5.656 1.00 1.07 H new ATOM 847 N LEU A 55 1.687 -4.430 8.050 1.00 0.67 N ATOM 848 CA LEU A 55 0.509 -3.678 8.514 1.00 0.61 C ATOM 849 C LEU A 55 0.574 -3.322 10.010 1.00 1.11 C ATOM 850 O LEU A 55 0.020 -2.294 10.405 1.00 1.35 O ATOM 851 CB LEU A 55 -0.774 -4.477 8.209 1.00 0.68 C ATOM 852 CG LEU A 55 -1.174 -4.561 6.722 1.00 0.86 C ATOM 853 CD1 LEU A 55 -2.291 -5.604 6.558 1.00 1.46 C ATOM 854 CD2 LEU A 55 -1.659 -3.218 6.156 1.00 1.18 C ATOM 0 H LEU A 55 1.472 -5.374 7.730 1.00 0.67 H new ATOM 0 HA LEU A 55 0.497 -2.733 7.970 1.00 0.61 H new ATOM 0 HB2 LEU A 55 -0.648 -5.491 8.590 1.00 0.68 H new ATOM 0 HB3 LEU A 55 -1.599 -4.029 8.763 1.00 0.68 H new ATOM 0 HG LEU A 55 -0.282 -4.846 6.165 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -2.578 -5.668 5.508 1.00 1.46 H new ATOM 0 HD12 LEU A 55 -1.933 -6.577 6.896 1.00 1.46 H new ATOM 0 HD13 LEU A 55 -3.155 -5.308 7.153 1.00 1.46 H new ATOM 0 HD21 LEU A 55 -1.926 -3.341 5.106 1.00 1.18 H new ATOM 0 HD22 LEU A 55 -2.532 -2.881 6.715 1.00 1.18 H new ATOM 0 HD23 LEU A 55 -0.864 -2.478 6.244 1.00 1.18 H new ATOM 866 N LEU A 56 1.268 -4.119 10.835 1.00 0.62 N ATOM 867 CA LEU A 56 1.569 -3.788 12.231 1.00 0.64 C ATOM 868 C LEU A 56 2.571 -2.629 12.296 1.00 1.02 C ATOM 869 O LEU A 56 2.326 -1.661 13.013 1.00 1.14 O ATOM 870 CB LEU A 56 2.089 -5.050 12.953 1.00 0.76 C ATOM 871 CG LEU A 56 1.737 -5.145 14.450 1.00 1.01 C ATOM 872 CD1 LEU A 56 2.311 -6.449 15.019 1.00 2.05 C ATOM 873 CD2 LEU A 56 2.242 -3.961 15.289 1.00 1.45 C ATOM 0 H LEU A 56 1.640 -5.023 10.545 1.00 0.62 H new ATOM 0 HA LEU A 56 0.664 -3.457 12.741 1.00 0.64 H new ATOM 0 HB2 LEU A 56 1.690 -5.929 12.446 1.00 0.76 H new ATOM 0 HB3 LEU A 56 3.173 -5.087 12.849 1.00 0.76 H new ATOM 0 HG LEU A 56 0.649 -5.124 14.514 1.00 1.01 H new ATOM 0 HD11 LEU A 56 2.066 -6.523 16.078 1.00 2.05 H new ATOM 0 HD12 LEU A 56 1.882 -7.298 14.487 1.00 2.05 H new ATOM 0 HD13 LEU A 56 3.394 -6.454 14.896 1.00 2.05 H new ATOM 0 HD21 LEU A 56 1.954 -4.104 16.330 1.00 1.45 H new ATOM 0 HD22 LEU A 56 3.328 -3.902 15.218 1.00 1.45 H new ATOM 0 HD23 LEU A 56 1.803 -3.036 14.914 1.00 1.45 H new ATOM 885 N ALA A 57 3.658 -2.673 11.523 1.00 0.66 N ATOM 886 CA ALA A 57 4.626 -1.575 11.464 1.00 0.76 C ATOM 887 C ALA A 57 4.004 -0.268 10.943 1.00 0.97 C ATOM 888 O ALA A 57 4.183 0.782 11.565 1.00 1.24 O ATOM 889 CB ALA A 57 5.814 -2.024 10.613 1.00 0.89 C ATOM 0 H ALA A 57 3.891 -3.465 10.924 1.00 0.66 H new ATOM 0 HA ALA A 57 4.966 -1.346 12.474 1.00 0.76 H new ATOM 0 HB1 ALA A 57 6.547 -1.219 10.557 1.00 0.89 H new ATOM 0 HB2 ALA A 57 6.274 -2.903 11.065 1.00 0.89 H new ATOM 0 HB3 ALA A 57 5.469 -2.271 9.609 1.00 0.89 H new ATOM 895 N LEU A 58 3.225 -0.323 9.855 1.00 0.78 N ATOM 896 CA LEU A 58 2.504 0.843 9.338 1.00 0.88 C ATOM 897 C LEU A 58 1.575 1.433 10.404 1.00 1.33 C ATOM 898 O LEU A 58 1.556 2.650 10.588 1.00 1.55 O ATOM 899 CB LEU A 58 1.745 0.489 8.039 1.00 0.87 C ATOM 900 CG LEU A 58 2.603 0.049 6.831 1.00 0.97 C ATOM 901 CD1 LEU A 58 1.748 0.062 5.557 1.00 1.38 C ATOM 902 CD2 LEU A 58 3.866 0.897 6.638 1.00 1.56 C ATOM 0 H LEU A 58 3.078 -1.174 9.312 1.00 0.78 H new ATOM 0 HA LEU A 58 3.233 1.614 9.087 1.00 0.88 H new ATOM 0 HB2 LEU A 58 1.040 -0.311 8.264 1.00 0.87 H new ATOM 0 HB3 LEU A 58 1.158 1.357 7.741 1.00 0.87 H new ATOM 0 HG LEU A 58 2.948 -0.963 7.040 1.00 0.97 H new ATOM 0 HD11 LEU A 58 2.356 -0.249 4.707 1.00 1.38 H new ATOM 0 HD12 LEU A 58 0.910 -0.625 5.674 1.00 1.38 H new ATOM 0 HD13 LEU A 58 1.369 1.069 5.383 1.00 1.38 H new ATOM 0 HD21 LEU A 58 4.420 0.533 5.773 1.00 1.56 H new ATOM 0 HD22 LEU A 58 3.584 1.938 6.477 1.00 1.56 H new ATOM 0 HD23 LEU A 58 4.492 0.824 7.527 1.00 1.56 H new ATOM 914 N LYS A 59 0.881 0.604 11.199 1.00 0.85 N ATOM 915 CA LYS A 59 0.053 1.127 12.291 1.00 0.97 C ATOM 916 C LYS A 59 0.901 1.799 13.390 1.00 1.01 C ATOM 917 O LYS A 59 0.622 2.947 13.741 1.00 0.98 O ATOM 918 CB LYS A 59 -0.990 0.086 12.754 1.00 1.15 C ATOM 919 CG LYS A 59 -0.691 -0.849 13.943 1.00 1.31 C ATOM 920 CD LYS A 59 -1.401 -0.341 15.202 1.00 1.43 C ATOM 921 CE LYS A 59 -1.037 -1.148 16.451 1.00 1.54 C ATOM 922 NZ LYS A 59 -1.532 -0.459 17.667 1.00 2.00 N ATOM 0 H LYS A 59 0.877 -0.412 11.108 1.00 0.85 H new ATOM 0 HA LYS A 59 -0.556 1.951 11.920 1.00 0.97 H new ATOM 0 HB2 LYS A 59 -1.903 0.631 12.995 1.00 1.15 H new ATOM 0 HB3 LYS A 59 -1.215 -0.547 11.896 1.00 1.15 H new ATOM 0 HG2 LYS A 59 -1.023 -1.861 13.712 1.00 1.31 H new ATOM 0 HG3 LYS A 59 0.384 -0.897 14.117 1.00 1.31 H new ATOM 0 HD2 LYS A 59 -1.143 0.706 15.363 1.00 1.43 H new ATOM 0 HD3 LYS A 59 -2.479 -0.383 15.048 1.00 1.43 H new ATOM 0 HE2 LYS A 59 -1.471 -2.146 16.387 1.00 1.54 H new ATOM 0 HE3 LYS A 59 0.044 -1.273 16.510 1.00 1.54 H new ATOM 0 HZ1 LYS A 59 -0.728 -0.219 18.281 1.00 2.00 H new ATOM 0 HZ2 LYS A 59 -2.031 0.411 17.394 1.00 2.00 H new ATOM 0 HZ3 LYS A 59 -2.184 -1.086 18.180 1.00 2.00 H new ATOM 936 N ARG A 60 1.991 1.162 13.846 1.00 0.90 N ATOM 937 CA ARG A 60 2.896 1.698 14.863 1.00 0.91 C ATOM 938 C ARG A 60 3.691 2.939 14.423 1.00 1.22 C ATOM 939 O ARG A 60 4.158 3.684 15.286 1.00 1.20 O ATOM 940 CB ARG A 60 3.821 0.556 15.313 1.00 0.99 C ATOM 941 CG ARG A 60 3.748 0.315 16.821 1.00 1.69 C ATOM 942 CD ARG A 60 4.436 1.387 17.693 1.00 2.30 C ATOM 943 NE ARG A 60 5.908 1.451 17.519 1.00 3.21 N ATOM 944 CZ ARG A 60 6.848 0.847 18.246 1.00 3.88 C ATOM 945 NH1 ARG A 60 6.538 -0.014 19.196 1.00 3.58 N ATOM 946 NH2 ARG A 60 8.129 1.087 18.044 1.00 5.50 N ATOM 0 H ARG A 60 2.270 0.241 13.508 1.00 0.90 H new ATOM 0 HA ARG A 60 2.292 2.063 15.694 1.00 0.91 H new ATOM 0 HB2 ARG A 60 3.549 -0.359 14.787 1.00 0.99 H new ATOM 0 HB3 ARG A 60 4.848 0.791 15.033 1.00 0.99 H new ATOM 0 HG2 ARG A 60 2.700 0.251 17.112 1.00 1.69 H new ATOM 0 HG3 ARG A 60 4.199 -0.653 17.040 1.00 1.69 H new ATOM 0 HD2 ARG A 60 4.010 2.362 17.457 1.00 2.30 H new ATOM 0 HD3 ARG A 60 4.212 1.187 18.741 1.00 2.30 H new ATOM 0 HE ARG A 60 6.242 2.029 16.748 1.00 3.21 H new ATOM 0 HH11 ARG A 60 5.560 -0.231 19.388 1.00 3.58 H new ATOM 0 HH12 ARG A 60 7.276 -0.463 19.738 1.00 3.58 H new ATOM 0 HH21 ARG A 60 8.417 1.746 17.320 1.00 5.50 H new ATOM 0 HH22 ARG A 60 8.832 0.614 18.612 1.00 5.50 H new ATOM 960 N ALA A 61 3.872 3.177 13.121 1.00 0.90 N ATOM 961 CA ALA A 61 4.362 4.448 12.582 1.00 0.92 C ATOM 962 C ALA A 61 3.291 5.541 12.695 1.00 1.11 C ATOM 963 O ALA A 61 3.549 6.591 13.279 1.00 1.25 O ATOM 964 CB ALA A 61 4.832 4.238 11.132 1.00 0.97 C ATOM 0 H ALA A 61 3.679 2.481 12.401 1.00 0.90 H new ATOM 0 HA ALA A 61 5.214 4.790 13.169 1.00 0.92 H new ATOM 0 HB1 ALA A 61 5.197 5.182 10.728 1.00 0.97 H new ATOM 0 HB2 ALA A 61 5.634 3.500 11.113 1.00 0.97 H new ATOM 0 HB3 ALA A 61 3.998 3.883 10.527 1.00 0.97 H new ATOM 970 N TYR A 62 2.087 5.271 12.173 1.00 0.92 N ATOM 971 CA TYR A 62 0.957 6.205 12.166 1.00 1.00 C ATOM 972 C TYR A 62 0.479 6.621 13.571 1.00 1.30 C ATOM 973 O TYR A 62 0.143 7.790 13.765 1.00 1.49 O ATOM 974 CB TYR A 62 -0.183 5.592 11.336 1.00 1.02 C ATOM 975 CG TYR A 62 -1.443 6.436 11.324 1.00 1.61 C ATOM 976 CD1 TYR A 62 -2.351 6.320 12.394 1.00 3.09 C ATOM 977 CD2 TYR A 62 -1.691 7.364 10.292 1.00 2.39 C ATOM 978 CE1 TYR A 62 -3.499 7.126 12.441 1.00 3.56 C ATOM 979 CE2 TYR A 62 -2.836 8.184 10.338 1.00 2.81 C ATOM 980 CZ TYR A 62 -3.744 8.064 11.419 1.00 2.82 C ATOM 981 OH TYR A 62 -4.846 8.850 11.520 1.00 3.50 O ATOM 0 H TYR A 62 1.868 4.376 11.734 1.00 0.92 H new ATOM 0 HA TYR A 62 1.298 7.134 11.709 1.00 1.00 H new ATOM 0 HB2 TYR A 62 0.160 5.450 10.311 1.00 1.02 H new ATOM 0 HB3 TYR A 62 -0.420 4.605 11.732 1.00 1.02 H new ATOM 0 HD1 TYR A 62 -2.163 5.607 13.183 1.00 3.09 H new ATOM 0 HD2 TYR A 62 -1.002 7.447 9.464 1.00 2.39 H new ATOM 0 HE1 TYR A 62 -4.195 7.027 13.261 1.00 3.56 H new ATOM 0 HE2 TYR A 62 -3.021 8.901 9.552 1.00 2.81 H new ATOM 0 HH TYR A 62 -4.626 9.760 11.230 1.00 3.50 H new ATOM 991 N GLU A 63 0.493 5.708 14.551 1.00 1.04 N ATOM 992 CA GLU A 63 0.163 6.006 15.953 1.00 1.21 C ATOM 993 C GLU A 63 1.144 7.015 16.571 1.00 1.39 C ATOM 994 O GLU A 63 0.779 7.787 17.449 1.00 1.74 O ATOM 995 CB GLU A 63 0.209 4.720 16.795 1.00 1.30 C ATOM 996 CG GLU A 63 -0.984 3.784 16.576 1.00 1.53 C ATOM 997 CD GLU A 63 -0.813 2.496 17.378 1.00 2.10 C ATOM 998 OE1 GLU A 63 0.147 1.725 17.132 1.00 2.54 O ATOM 999 OE2 GLU A 63 -1.675 2.161 18.217 1.00 3.05 O ATOM 0 H GLU A 63 0.736 4.730 14.392 1.00 1.04 H new ATOM 0 HA GLU A 63 -0.839 6.435 15.957 1.00 1.21 H new ATOM 0 HB2 GLU A 63 1.127 4.180 16.564 1.00 1.30 H new ATOM 0 HB3 GLU A 63 0.255 4.991 17.850 1.00 1.30 H new ATOM 0 HG2 GLU A 63 -1.905 4.285 16.874 1.00 1.53 H new ATOM 0 HG3 GLU A 63 -1.078 3.549 15.516 1.00 1.53 H new ATOM 1006 N LYS A 64 2.396 7.039 16.104 1.00 1.13 N ATOM 1007 CA LYS A 64 3.428 7.922 16.642 1.00 1.25 C ATOM 1008 C LYS A 64 3.325 9.371 16.113 1.00 1.51 C ATOM 1009 O LYS A 64 4.109 10.235 16.513 1.00 1.64 O ATOM 1010 CB LYS A 64 4.789 7.265 16.344 1.00 1.28 C ATOM 1011 CG LYS A 64 5.858 7.668 17.371 1.00 1.79 C ATOM 1012 CD LYS A 64 7.237 7.099 17.023 1.00 2.09 C ATOM 1013 CE LYS A 64 8.220 7.457 18.143 1.00 2.92 C ATOM 1014 NZ LYS A 64 9.589 6.975 17.848 1.00 3.88 N ATOM 0 H LYS A 64 2.720 6.445 15.341 1.00 1.13 H new ATOM 0 HA LYS A 64 3.296 8.034 17.718 1.00 1.25 H new ATOM 0 HB2 LYS A 64 4.676 6.181 16.344 1.00 1.28 H new ATOM 0 HB3 LYS A 64 5.119 7.551 15.345 1.00 1.28 H new ATOM 0 HG2 LYS A 64 5.918 8.755 17.423 1.00 1.79 H new ATOM 0 HG3 LYS A 64 5.561 7.317 18.359 1.00 1.79 H new ATOM 0 HD2 LYS A 64 7.179 6.017 16.904 1.00 2.09 H new ATOM 0 HD3 LYS A 64 7.584 7.506 16.073 1.00 2.09 H new ATOM 0 HE2 LYS A 64 8.237 8.538 18.280 1.00 2.92 H new ATOM 0 HE3 LYS A 64 7.876 7.022 19.081 1.00 2.92 H new ATOM 0 HZ1 LYS A 64 10.082 6.762 18.739 1.00 3.88 H new ATOM 0 HZ2 LYS A 64 9.536 6.114 17.267 1.00 3.88 H new ATOM 0 HZ3 LYS A 64 10.112 7.710 17.331 1.00 3.88 H new ATOM 1028 N LEU A 65 2.419 9.662 15.170 1.00 1.45 N ATOM 1029 CA LEU A 65 2.345 10.951 14.474 1.00 1.45 C ATOM 1030 C LEU A 65 1.527 11.988 15.269 1.00 1.77 C ATOM 1031 O LEU A 65 0.439 11.664 15.743 1.00 2.06 O ATOM 1032 CB LEU A 65 1.727 10.754 13.078 1.00 1.54 C ATOM 1033 CG LEU A 65 2.509 9.820 12.134 1.00 1.29 C ATOM 1034 CD1 LEU A 65 1.769 9.716 10.794 1.00 1.52 C ATOM 1035 CD2 LEU A 65 3.951 10.295 11.890 1.00 1.62 C ATOM 0 H LEU A 65 1.707 8.998 14.866 1.00 1.45 H new ATOM 0 HA LEU A 65 3.360 11.336 14.378 1.00 1.45 H new ATOM 0 HB2 LEU A 65 0.718 10.359 13.198 1.00 1.54 H new ATOM 0 HB3 LEU A 65 1.633 11.729 12.600 1.00 1.54 H new ATOM 0 HG LEU A 65 2.569 8.845 12.617 1.00 1.29 H new ATOM 0 HD11 LEU A 65 2.320 9.056 10.124 1.00 1.52 H new ATOM 0 HD12 LEU A 65 0.770 9.313 10.960 1.00 1.52 H new ATOM 0 HD13 LEU A 65 1.690 10.706 10.344 1.00 1.52 H new ATOM 0 HD21 LEU A 65 4.454 9.600 11.218 1.00 1.62 H new ATOM 0 HD22 LEU A 65 3.936 11.288 11.440 1.00 1.62 H new ATOM 0 HD23 LEU A 65 4.486 10.335 12.839 1.00 1.62 H new ATOM 1047 N PRO A 66 1.964 13.266 15.332 1.00 1.47 N ATOM 1048 CA PRO A 66 1.115 14.346 15.819 1.00 1.64 C ATOM 1049 C PRO A 66 -0.122 14.519 14.927 1.00 1.69 C ATOM 1050 O PRO A 66 -0.076 14.167 13.742 1.00 1.39 O ATOM 1051 CB PRO A 66 1.977 15.614 15.821 1.00 1.74 C ATOM 1052 CG PRO A 66 3.080 15.312 14.812 1.00 1.54 C ATOM 1053 CD PRO A 66 3.249 13.796 14.899 1.00 1.50 C ATOM 0 HA PRO A 66 0.744 14.128 16.820 1.00 1.64 H new ATOM 0 HB2 PRO A 66 1.398 16.490 15.529 1.00 1.74 H new ATOM 0 HB3 PRO A 66 2.386 15.817 16.811 1.00 1.74 H new ATOM 0 HG2 PRO A 66 2.799 15.626 13.807 1.00 1.54 H new ATOM 0 HG3 PRO A 66 4.004 15.833 15.062 1.00 1.54 H new ATOM 0 HD2 PRO A 66 3.535 13.381 13.933 1.00 1.50 H new ATOM 0 HD3 PRO A 66 4.036 13.532 15.605 1.00 1.50 H new ATOM 1061 N PRO A 67 -1.204 15.128 15.456 1.00 1.58 N ATOM 1062 CA PRO A 67 -2.475 15.280 14.758 1.00 1.66 C ATOM 1063 C PRO A 67 -2.409 16.152 13.496 1.00 1.73 C ATOM 1064 O PRO A 67 -3.411 16.240 12.800 1.00 1.78 O ATOM 1065 CB PRO A 67 -3.457 15.840 15.798 1.00 1.99 C ATOM 1066 CG PRO A 67 -2.553 16.552 16.800 1.00 2.10 C ATOM 1067 CD PRO A 67 -1.313 15.665 16.807 1.00 1.85 C ATOM 0 HA PRO A 67 -2.796 14.314 14.369 1.00 1.66 H new ATOM 0 HB2 PRO A 67 -4.172 16.527 15.345 1.00 1.99 H new ATOM 0 HB3 PRO A 67 -4.034 15.046 16.272 1.00 1.99 H new ATOM 0 HG2 PRO A 67 -2.323 17.571 16.488 1.00 2.10 H new ATOM 0 HG3 PRO A 67 -3.012 16.617 17.787 1.00 2.10 H new ATOM 0 HD2 PRO A 67 -0.424 16.237 17.074 1.00 1.85 H new ATOM 0 HD3 PRO A 67 -1.409 14.864 17.540 1.00 1.85 H new ATOM 1075 N LYS A 68 -1.260 16.766 13.165 1.00 1.51 N ATOM 1076 CA LYS A 68 -1.060 17.470 11.881 1.00 1.53 C ATOM 1077 C LYS A 68 -0.213 16.661 10.871 1.00 1.57 C ATOM 1078 O LYS A 68 -0.326 16.841 9.660 1.00 1.65 O ATOM 1079 CB LYS A 68 -0.424 18.842 12.162 1.00 1.74 C ATOM 1080 CG LYS A 68 -1.311 19.844 12.931 1.00 1.98 C ATOM 1081 CD LYS A 68 -2.555 20.329 12.159 1.00 2.46 C ATOM 1082 CE LYS A 68 -3.813 19.504 12.469 1.00 3.63 C ATOM 1083 NZ LYS A 68 -4.884 19.753 11.476 1.00 3.89 N ATOM 0 H LYS A 68 -0.444 16.790 13.777 1.00 1.51 H new ATOM 0 HA LYS A 68 -2.035 17.597 11.411 1.00 1.53 H new ATOM 0 HB2 LYS A 68 0.494 18.687 12.729 1.00 1.74 H new ATOM 0 HB3 LYS A 68 -0.139 19.292 11.211 1.00 1.74 H new ATOM 0 HG2 LYS A 68 -1.636 19.380 13.862 1.00 1.98 H new ATOM 0 HG3 LYS A 68 -0.707 20.710 13.201 1.00 1.98 H new ATOM 0 HD2 LYS A 68 -2.743 21.374 12.404 1.00 2.46 H new ATOM 0 HD3 LYS A 68 -2.352 20.284 11.089 1.00 2.46 H new ATOM 0 HE2 LYS A 68 -3.561 18.443 12.476 1.00 3.63 H new ATOM 0 HE3 LYS A 68 -4.175 19.752 13.467 1.00 3.63 H new ATOM 0 HZ1 LYS A 68 -5.499 18.917 11.412 1.00 3.89 H new ATOM 0 HZ2 LYS A 68 -5.447 20.576 11.772 1.00 3.89 H new ATOM 0 HZ3 LYS A 68 -4.458 19.942 10.546 1.00 3.89 H new ATOM 1097 N ALA A 69 0.659 15.766 11.354 1.00 1.09 N ATOM 1098 CA ALA A 69 1.337 14.769 10.523 1.00 1.01 C ATOM 1099 C ALA A 69 0.435 13.584 10.140 1.00 1.11 C ATOM 1100 O ALA A 69 0.502 13.149 8.998 1.00 1.28 O ATOM 1101 CB ALA A 69 2.623 14.320 11.212 1.00 1.11 C ATOM 0 H ALA A 69 0.914 15.715 12.340 1.00 1.09 H new ATOM 0 HA ALA A 69 1.592 15.242 9.575 1.00 1.01 H new ATOM 0 HB1 ALA A 69 3.127 13.578 10.593 1.00 1.11 H new ATOM 0 HB2 ALA A 69 3.278 15.179 11.355 1.00 1.11 H new ATOM 0 HB3 ALA A 69 2.383 13.882 12.181 1.00 1.11 H new ATOM 1107 N GLN A 70 -0.426 13.083 11.039 1.00 0.99 N ATOM 1108 CA GLN A 70 -1.323 11.957 10.725 1.00 1.11 C ATOM 1109 C GLN A 70 -2.132 12.203 9.443 1.00 1.37 C ATOM 1110 O GLN A 70 -2.205 11.332 8.580 1.00 1.73 O ATOM 1111 CB GLN A 70 -2.154 11.553 11.940 1.00 1.20 C ATOM 1112 CG GLN A 70 -3.267 12.529 12.293 1.00 1.67 C ATOM 1113 CD GLN A 70 -4.590 12.335 11.535 1.00 3.13 C ATOM 1114 OE1 GLN A 70 -4.753 11.463 10.698 1.00 3.77 O ATOM 1115 NE2 GLN A 70 -5.586 13.154 11.787 1.00 4.46 N ATOM 0 H GLN A 70 -0.521 13.439 11.990 1.00 0.99 H new ATOM 0 HA GLN A 70 -0.712 11.085 10.495 1.00 1.11 H new ATOM 0 HB2 GLN A 70 -2.592 10.572 11.755 1.00 1.20 H new ATOM 0 HB3 GLN A 70 -1.492 11.449 12.800 1.00 1.20 H new ATOM 0 HG2 GLN A 70 -3.467 12.452 13.362 1.00 1.67 H new ATOM 0 HG3 GLN A 70 -2.909 13.542 12.108 1.00 1.67 H new ATOM 0 HE21 GLN A 70 -5.476 13.892 12.482 1.00 4.46 H new ATOM 0 HE22 GLN A 70 -6.469 13.052 11.287 1.00 4.46 H new ATOM 1124 N GLU A 71 -2.608 13.439 9.268 1.00 1.33 N ATOM 1125 CA GLU A 71 -3.450 13.919 8.164 1.00 1.55 C ATOM 1126 C GLU A 71 -2.846 13.682 6.786 1.00 1.74 C ATOM 1127 O GLU A 71 -3.577 13.651 5.804 1.00 2.08 O ATOM 1128 CB GLU A 71 -3.676 15.438 8.298 1.00 1.62 C ATOM 1129 CG GLU A 71 -3.934 15.841 9.743 1.00 1.96 C ATOM 1130 CD GLU A 71 -4.467 17.258 9.878 1.00 2.45 C ATOM 1131 OE1 GLU A 71 -3.694 18.206 9.616 1.00 2.61 O ATOM 1132 OE2 GLU A 71 -5.603 17.436 10.369 1.00 3.59 O ATOM 0 H GLU A 71 -2.403 14.181 9.937 1.00 1.33 H new ATOM 0 HA GLU A 71 -4.378 13.352 8.239 1.00 1.55 H new ATOM 0 HB2 GLU A 71 -2.803 15.971 7.921 1.00 1.62 H new ATOM 0 HB3 GLU A 71 -4.523 15.736 7.680 1.00 1.62 H new ATOM 0 HG2 GLU A 71 -4.648 15.146 10.186 1.00 1.96 H new ATOM 0 HG3 GLU A 71 -3.008 15.752 10.310 1.00 1.96 H new ATOM 1139 N ARG A 72 -1.519 13.557 6.715 1.00 1.36 N ATOM 1140 CA ARG A 72 -0.749 13.264 5.518 1.00 1.48 C ATOM 1141 C ARG A 72 -0.671 11.769 5.193 1.00 1.68 C ATOM 1142 O ARG A 72 -0.376 11.448 4.047 1.00 1.94 O ATOM 1143 CB ARG A 72 0.658 13.799 5.723 1.00 1.93 C ATOM 1144 CG ARG A 72 0.719 15.326 5.616 1.00 1.30 C ATOM 1145 CD ARG A 72 2.186 15.667 5.826 1.00 1.93 C ATOM 1146 NE ARG A 72 2.564 17.011 5.376 1.00 2.30 N ATOM 1147 CZ ARG A 72 2.157 18.198 5.783 1.00 2.39 C ATOM 1148 NH1 ARG A 72 1.187 18.370 6.662 1.00 2.91 N ATOM 1149 NH2 ARG A 72 2.780 19.237 5.275 1.00 3.14 N ATOM 0 H ARG A 72 -0.927 13.664 7.539 1.00 1.36 H new ATOM 0 HA ARG A 72 -1.253 13.740 4.677 1.00 1.48 H new ATOM 0 HB2 ARG A 72 1.023 13.491 6.703 1.00 1.93 H new ATOM 0 HB3 ARG A 72 1.324 13.358 4.981 1.00 1.93 H new ATOM 0 HG2 ARG A 72 0.368 15.670 4.643 1.00 1.30 H new ATOM 0 HG3 ARG A 72 0.090 15.802 6.368 1.00 1.30 H new ATOM 0 HD2 ARG A 72 2.421 15.572 6.886 1.00 1.93 H new ATOM 0 HD3 ARG A 72 2.796 14.935 5.298 1.00 1.93 H new ATOM 0 HE ARG A 72 3.255 17.031 4.626 1.00 2.30 H new ATOM 0 HH11 ARG A 72 0.712 17.561 7.062 1.00 2.91 H new ATOM 0 HH12 ARG A 72 0.913 19.312 6.941 1.00 2.91 H new ATOM 0 HH21 ARG A 72 3.535 19.100 4.603 1.00 3.14 H new ATOM 0 HH22 ARG A 72 2.509 20.180 5.553 1.00 3.14 H new ATOM 1163 N VAL A 73 -0.866 10.859 6.150 1.00 1.36 N ATOM 1164 CA VAL A 73 -0.419 9.454 6.057 1.00 1.42 C ATOM 1165 C VAL A 73 -1.621 8.508 6.072 1.00 1.59 C ATOM 1166 O VAL A 73 -2.350 8.416 7.059 1.00 1.89 O ATOM 1167 CB VAL A 73 0.580 9.105 7.185 1.00 1.47 C ATOM 1168 CG1 VAL A 73 1.080 7.654 7.087 1.00 1.98 C ATOM 1169 CG2 VAL A 73 1.794 10.052 7.135 1.00 2.32 C ATOM 0 H VAL A 73 -1.344 11.073 7.025 1.00 1.36 H new ATOM 0 HA VAL A 73 0.104 9.328 5.109 1.00 1.42 H new ATOM 0 HB VAL A 73 0.046 9.223 8.128 1.00 1.47 H new ATOM 0 HG11 VAL A 73 1.779 7.454 7.899 1.00 1.98 H new ATOM 0 HG12 VAL A 73 0.233 6.972 7.161 1.00 1.98 H new ATOM 0 HG13 VAL A 73 1.583 7.506 6.131 1.00 1.98 H new ATOM 0 HG21 VAL A 73 2.489 9.795 7.934 1.00 2.32 H new ATOM 0 HG22 VAL A 73 2.295 9.951 6.172 1.00 2.32 H new ATOM 0 HG23 VAL A 73 1.458 11.081 7.263 1.00 2.32 H new ATOM 1179 N GLN A 74 -1.825 7.827 4.946 1.00 1.32 N ATOM 1180 CA GLN A 74 -2.986 6.983 4.682 1.00 1.12 C ATOM 1181 C GLN A 74 -2.516 5.731 3.937 1.00 1.34 C ATOM 1182 O GLN A 74 -1.670 5.835 3.045 1.00 1.51 O ATOM 1183 CB GLN A 74 -3.977 7.803 3.840 1.00 1.09 C ATOM 1184 CG GLN A 74 -5.311 7.100 3.553 1.00 2.03 C ATOM 1185 CD GLN A 74 -6.230 7.968 2.692 1.00 2.40 C ATOM 1186 OE1 GLN A 74 -6.140 9.184 2.650 1.00 2.62 O ATOM 1187 NE2 GLN A 74 -7.147 7.391 1.943 1.00 3.78 N ATOM 0 H GLN A 74 -1.165 7.849 4.168 1.00 1.32 H new ATOM 0 HA GLN A 74 -3.479 6.667 5.601 1.00 1.12 H new ATOM 0 HB2 GLN A 74 -4.180 8.742 4.355 1.00 1.09 H new ATOM 0 HB3 GLN A 74 -3.504 8.056 2.891 1.00 1.09 H new ATOM 0 HG2 GLN A 74 -5.123 6.154 3.046 1.00 2.03 H new ATOM 0 HG3 GLN A 74 -5.808 6.864 4.494 1.00 2.03 H new ATOM 0 HE21 GLN A 74 -7.250 6.376 1.954 1.00 3.78 H new ATOM 0 HE22 GLN A 74 -7.754 7.959 1.352 1.00 3.78 H new ATOM 1196 N VAL A 75 -3.058 4.558 4.277 1.00 1.02 N ATOM 1197 CA VAL A 75 -2.647 3.291 3.637 1.00 1.00 C ATOM 1198 C VAL A 75 -3.794 2.725 2.800 1.00 0.96 C ATOM 1199 O VAL A 75 -4.925 2.617 3.269 1.00 1.18 O ATOM 1200 CB VAL A 75 -2.154 2.254 4.670 1.00 1.20 C ATOM 1201 CG1 VAL A 75 -1.577 0.994 4.000 1.00 1.32 C ATOM 1202 CG2 VAL A 75 -1.088 2.849 5.612 1.00 1.44 C ATOM 0 H VAL A 75 -3.781 4.452 4.989 1.00 1.02 H new ATOM 0 HA VAL A 75 -1.806 3.510 2.979 1.00 1.00 H new ATOM 0 HB VAL A 75 -3.033 1.973 5.250 1.00 1.20 H new ATOM 0 HG11 VAL A 75 -1.244 0.295 4.767 1.00 1.32 H new ATOM 0 HG12 VAL A 75 -2.346 0.523 3.388 1.00 1.32 H new ATOM 0 HG13 VAL A 75 -0.732 1.272 3.370 1.00 1.32 H new ATOM 0 HG21 VAL A 75 -0.766 2.089 6.324 1.00 1.44 H new ATOM 0 HG22 VAL A 75 -0.231 3.184 5.027 1.00 1.44 H new ATOM 0 HG23 VAL A 75 -1.512 3.696 6.152 1.00 1.44 H new ATOM 1212 N ILE A 76 -3.504 2.351 1.555 1.00 0.80 N ATOM 1213 CA ILE A 76 -4.426 1.582 0.716 1.00 0.75 C ATOM 1214 C ILE A 76 -3.797 0.215 0.468 1.00 0.86 C ATOM 1215 O ILE A 76 -2.721 0.101 -0.122 1.00 1.16 O ATOM 1216 CB ILE A 76 -4.784 2.324 -0.597 1.00 0.84 C ATOM 1217 CG1 ILE A 76 -5.778 3.490 -0.383 1.00 1.21 C ATOM 1218 CG2 ILE A 76 -5.439 1.369 -1.612 1.00 0.94 C ATOM 1219 CD1 ILE A 76 -5.138 4.805 0.069 1.00 1.43 C ATOM 0 H ILE A 76 -2.620 2.573 1.097 1.00 0.80 H new ATOM 0 HA ILE A 76 -5.379 1.456 1.229 1.00 0.75 H new ATOM 0 HB ILE A 76 -3.836 2.715 -0.967 1.00 0.84 H new ATOM 0 HG12 ILE A 76 -6.316 3.666 -1.315 1.00 1.21 H new ATOM 0 HG13 ILE A 76 -6.516 3.188 0.360 1.00 1.21 H new ATOM 0 HG21 ILE A 76 -5.680 1.916 -2.524 1.00 0.94 H new ATOM 0 HG22 ILE A 76 -4.749 0.559 -1.847 1.00 0.94 H new ATOM 0 HG23 ILE A 76 -6.353 0.955 -1.185 1.00 0.94 H new ATOM 0 HD11 ILE A 76 -5.912 5.563 0.193 1.00 1.43 H new ATOM 0 HD12 ILE A 76 -4.625 4.652 1.018 1.00 1.43 H new ATOM 0 HD13 ILE A 76 -4.421 5.138 -0.682 1.00 1.43 H new ATOM 1231 N PHE A 77 -4.529 -0.831 0.841 1.00 0.71 N ATOM 1232 CA PHE A 77 -4.247 -2.197 0.431 1.00 0.74 C ATOM 1233 C PHE A 77 -5.129 -2.480 -0.790 1.00 1.42 C ATOM 1234 O PHE A 77 -6.345 -2.286 -0.734 1.00 1.78 O ATOM 1235 CB PHE A 77 -4.534 -3.140 1.611 1.00 0.85 C ATOM 1236 CG PHE A 77 -4.285 -4.614 1.333 1.00 1.04 C ATOM 1237 CD1 PHE A 77 -2.968 -5.100 1.194 1.00 2.34 C ATOM 1238 CD2 PHE A 77 -5.368 -5.507 1.239 1.00 2.04 C ATOM 1239 CE1 PHE A 77 -2.740 -6.470 0.972 1.00 2.41 C ATOM 1240 CE2 PHE A 77 -5.141 -6.875 1.012 1.00 1.97 C ATOM 1241 CZ PHE A 77 -3.828 -7.360 0.888 1.00 1.24 C ATOM 0 H PHE A 77 -5.346 -0.749 1.446 1.00 0.71 H new ATOM 0 HA PHE A 77 -3.204 -2.352 0.155 1.00 0.74 H new ATOM 0 HB2 PHE A 77 -3.917 -2.836 2.457 1.00 0.85 H new ATOM 0 HB3 PHE A 77 -5.574 -3.014 1.913 1.00 0.85 H new ATOM 0 HD1 PHE A 77 -2.133 -4.418 1.258 1.00 2.34 H new ATOM 0 HD2 PHE A 77 -6.378 -5.139 1.342 1.00 2.04 H new ATOM 0 HE1 PHE A 77 -1.731 -6.839 0.866 1.00 2.41 H new ATOM 0 HE2 PHE A 77 -5.977 -7.555 0.933 1.00 1.97 H new ATOM 0 HZ PHE A 77 -3.654 -8.414 0.729 1.00 1.24 H new ATOM 1251 N VAL A 78 -4.517 -2.888 -1.901 1.00 0.70 N ATOM 1252 CA VAL A 78 -5.254 -3.335 -3.091 1.00 0.71 C ATOM 1253 C VAL A 78 -5.085 -4.840 -3.201 1.00 0.91 C ATOM 1254 O VAL A 78 -4.009 -5.383 -2.939 1.00 1.08 O ATOM 1255 CB VAL A 78 -4.826 -2.642 -4.405 1.00 0.93 C ATOM 1256 CG1 VAL A 78 -5.808 -2.914 -5.563 1.00 1.40 C ATOM 1257 CG2 VAL A 78 -4.758 -1.119 -4.242 1.00 1.15 C ATOM 0 H VAL A 78 -3.503 -2.920 -2.006 1.00 0.70 H new ATOM 0 HA VAL A 78 -6.299 -3.055 -2.959 1.00 0.71 H new ATOM 0 HB VAL A 78 -3.846 -3.058 -4.637 1.00 0.93 H new ATOM 0 HG11 VAL A 78 -5.461 -2.405 -6.462 1.00 1.40 H new ATOM 0 HG12 VAL A 78 -5.861 -3.986 -5.751 1.00 1.40 H new ATOM 0 HG13 VAL A 78 -6.798 -2.544 -5.295 1.00 1.40 H new ATOM 0 HG21 VAL A 78 -4.454 -0.665 -5.185 1.00 1.15 H new ATOM 0 HG22 VAL A 78 -5.739 -0.739 -3.956 1.00 1.15 H new ATOM 0 HG23 VAL A 78 -4.032 -0.868 -3.468 1.00 1.15 H new ATOM 1267 N SER A 79 -6.172 -5.503 -3.584 1.00 0.86 N ATOM 1268 CA SER A 79 -6.140 -6.923 -3.932 1.00 1.01 C ATOM 1269 C SER A 79 -5.255 -7.207 -5.162 1.00 1.04 C ATOM 1270 O SER A 79 -4.789 -6.306 -5.859 1.00 1.50 O ATOM 1271 CB SER A 79 -7.566 -7.448 -4.138 1.00 1.53 C ATOM 1272 OG SER A 79 -7.580 -8.848 -4.372 1.00 2.87 O ATOM 0 H SER A 79 -7.095 -5.076 -3.662 1.00 0.86 H new ATOM 0 HA SER A 79 -5.686 -7.457 -3.097 1.00 1.01 H new ATOM 0 HB2 SER A 79 -8.169 -7.220 -3.259 1.00 1.53 H new ATOM 0 HB3 SER A 79 -8.025 -6.933 -4.982 1.00 1.53 H new ATOM 0 HG SER A 79 -8.477 -9.124 -4.654 1.00 2.87 H new ATOM 1278 N VAL A 80 -5.036 -8.485 -5.451 1.00 1.08 N ATOM 1279 CA VAL A 80 -4.498 -8.975 -6.734 1.00 1.17 C ATOM 1280 C VAL A 80 -5.357 -10.111 -7.309 1.00 1.59 C ATOM 1281 O VAL A 80 -4.949 -10.796 -8.244 1.00 1.67 O ATOM 1282 CB VAL A 80 -3.032 -9.432 -6.583 1.00 1.27 C ATOM 1283 CG1 VAL A 80 -2.074 -8.245 -6.381 1.00 1.86 C ATOM 1284 CG2 VAL A 80 -2.884 -10.423 -5.425 1.00 2.04 C ATOM 0 H VAL A 80 -5.230 -9.236 -4.788 1.00 1.08 H new ATOM 0 HA VAL A 80 -4.529 -8.142 -7.436 1.00 1.17 H new ATOM 0 HB VAL A 80 -2.760 -9.928 -7.515 1.00 1.27 H new ATOM 0 HG11 VAL A 80 -1.053 -8.614 -6.279 1.00 1.86 H new ATOM 0 HG12 VAL A 80 -2.135 -7.578 -7.241 1.00 1.86 H new ATOM 0 HG13 VAL A 80 -2.354 -7.701 -5.479 1.00 1.86 H new ATOM 0 HG21 VAL A 80 -1.842 -10.730 -5.340 1.00 2.04 H new ATOM 0 HG22 VAL A 80 -3.199 -9.947 -4.496 1.00 2.04 H new ATOM 0 HG23 VAL A 80 -3.506 -11.298 -5.614 1.00 2.04 H new ATOM 1294 N ASP A 81 -6.548 -10.327 -6.741 1.00 1.38 N ATOM 1295 CA ASP A 81 -7.427 -11.430 -7.095 1.00 1.38 C ATOM 1296 C ASP A 81 -8.911 -11.011 -7.088 1.00 1.60 C ATOM 1297 O ASP A 81 -9.538 -10.969 -6.023 1.00 1.88 O ATOM 1298 CB ASP A 81 -7.162 -12.618 -6.157 1.00 1.43 C ATOM 1299 CG ASP A 81 -7.786 -13.897 -6.710 1.00 2.09 C ATOM 1300 OD1 ASP A 81 -8.533 -13.818 -7.710 1.00 3.34 O ATOM 1301 OD2 ASP A 81 -7.445 -14.989 -6.216 1.00 2.21 O ATOM 0 H ASP A 81 -6.929 -9.726 -6.010 1.00 1.38 H new ATOM 0 HA ASP A 81 -7.206 -11.736 -8.117 1.00 1.38 H new ATOM 0 HB2 ASP A 81 -6.088 -12.756 -6.033 1.00 1.43 H new ATOM 0 HB3 ASP A 81 -7.572 -12.406 -5.170 1.00 1.43 H new ATOM 1306 N PRO A 82 -9.499 -10.719 -8.264 1.00 1.57 N ATOM 1307 CA PRO A 82 -10.927 -10.458 -8.387 1.00 1.76 C ATOM 1308 C PRO A 82 -11.748 -11.761 -8.321 1.00 1.74 C ATOM 1309 O PRO A 82 -12.956 -11.698 -8.113 1.00 2.07 O ATOM 1310 CB PRO A 82 -11.066 -9.755 -9.740 1.00 2.18 C ATOM 1311 CG PRO A 82 -9.959 -10.381 -10.585 1.00 2.04 C ATOM 1312 CD PRO A 82 -8.848 -10.625 -9.565 1.00 1.74 C ATOM 0 HA PRO A 82 -11.312 -9.848 -7.570 1.00 1.76 H new ATOM 0 HB2 PRO A 82 -12.049 -9.922 -10.180 1.00 2.18 H new ATOM 0 HB3 PRO A 82 -10.938 -8.677 -9.647 1.00 2.18 H new ATOM 0 HG2 PRO A 82 -10.286 -11.308 -11.056 1.00 2.04 H new ATOM 0 HG3 PRO A 82 -9.635 -9.714 -11.384 1.00 2.04 H new ATOM 0 HD2 PRO A 82 -8.304 -11.541 -9.795 1.00 1.74 H new ATOM 0 HD3 PRO A 82 -8.122 -9.812 -9.579 1.00 1.74 H new ATOM 1320 N GLU A 83 -11.117 -12.939 -8.462 1.00 1.40 N ATOM 1321 CA GLU A 83 -11.774 -14.253 -8.457 1.00 1.54 C ATOM 1322 C GLU A 83 -11.853 -14.869 -7.044 1.00 1.62 C ATOM 1323 O GLU A 83 -12.369 -15.985 -6.887 1.00 2.09 O ATOM 1324 CB GLU A 83 -11.029 -15.217 -9.405 1.00 1.63 C ATOM 1325 CG GLU A 83 -10.800 -14.715 -10.845 1.00 2.19 C ATOM 1326 CD GLU A 83 -9.309 -14.717 -11.203 1.00 2.59 C ATOM 1327 OE1 GLU A 83 -8.756 -15.808 -11.458 1.00 2.83 O ATOM 1328 OE2 GLU A 83 -8.656 -13.657 -11.118 1.00 3.51 O ATOM 0 H GLU A 83 -10.107 -13.003 -8.586 1.00 1.40 H new ATOM 0 HA GLU A 83 -12.796 -14.103 -8.804 1.00 1.54 H new ATOM 0 HB2 GLU A 83 -10.059 -15.449 -8.965 1.00 1.63 H new ATOM 0 HB3 GLU A 83 -11.589 -16.151 -9.453 1.00 1.63 H new ATOM 0 HG2 GLU A 83 -11.345 -15.348 -11.545 1.00 2.19 H new ATOM 0 HG3 GLU A 83 -11.200 -13.707 -10.949 1.00 2.19 H new ATOM 1335 N ARG A 84 -11.339 -14.176 -6.014 1.00 1.34 N ATOM 1336 CA ARG A 84 -11.286 -14.677 -4.629 1.00 1.37 C ATOM 1337 C ARG A 84 -11.485 -13.593 -3.563 1.00 1.59 C ATOM 1338 O ARG A 84 -12.119 -13.862 -2.548 1.00 1.85 O ATOM 1339 CB ARG A 84 -9.935 -15.384 -4.398 1.00 1.44 C ATOM 1340 CG ARG A 84 -10.005 -16.512 -3.349 1.00 1.65 C ATOM 1341 CD ARG A 84 -10.210 -17.898 -3.982 1.00 2.31 C ATOM 1342 NE ARG A 84 -11.303 -17.885 -4.968 1.00 3.27 N ATOM 1343 CZ ARG A 84 -12.218 -18.814 -5.171 1.00 4.20 C ATOM 1344 NH1 ARG A 84 -12.257 -19.932 -4.485 1.00 4.61 N ATOM 1345 NH2 ARG A 84 -13.122 -18.595 -6.100 1.00 5.57 N ATOM 0 H ARG A 84 -10.944 -13.242 -6.120 1.00 1.34 H new ATOM 0 HA ARG A 84 -12.121 -15.369 -4.518 1.00 1.37 H new ATOM 0 HB2 ARG A 84 -9.584 -15.798 -5.343 1.00 1.44 H new ATOM 0 HB3 ARG A 84 -9.198 -14.647 -4.080 1.00 1.44 H new ATOM 0 HG2 ARG A 84 -9.085 -16.516 -2.764 1.00 1.65 H new ATOM 0 HG3 ARG A 84 -10.822 -16.309 -2.657 1.00 1.65 H new ATOM 0 HD2 ARG A 84 -9.287 -18.219 -4.465 1.00 2.31 H new ATOM 0 HD3 ARG A 84 -10.431 -18.626 -3.202 1.00 2.31 H new ATOM 0 HE ARG A 84 -11.360 -17.060 -5.565 1.00 3.27 H new ATOM 0 HH11 ARG A 84 -11.561 -20.110 -3.761 1.00 4.61 H new ATOM 0 HH12 ARG A 84 -12.983 -20.623 -4.676 1.00 4.61 H new ATOM 0 HH21 ARG A 84 -13.101 -17.728 -6.637 1.00 5.57 H new ATOM 0 HH22 ARG A 84 -13.844 -19.292 -6.283 1.00 5.57 H new ATOM 1359 N ASP A 85 -10.960 -12.385 -3.770 1.00 1.25 N ATOM 1360 CA ASP A 85 -10.937 -11.321 -2.762 1.00 1.26 C ATOM 1361 C ASP A 85 -11.916 -10.189 -3.133 1.00 1.53 C ATOM 1362 O ASP A 85 -11.566 -9.346 -3.958 1.00 1.84 O ATOM 1363 CB ASP A 85 -9.489 -10.799 -2.639 1.00 1.26 C ATOM 1364 CG ASP A 85 -8.696 -11.482 -1.530 1.00 1.67 C ATOM 1365 OD1 ASP A 85 -9.267 -11.596 -0.418 1.00 2.27 O ATOM 1366 OD2 ASP A 85 -7.476 -11.706 -1.696 1.00 2.63 O ATOM 0 H ASP A 85 -10.532 -12.113 -4.655 1.00 1.25 H new ATOM 0 HA ASP A 85 -11.263 -11.714 -1.799 1.00 1.26 H new ATOM 0 HB2 ASP A 85 -8.975 -10.947 -3.589 1.00 1.26 H new ATOM 0 HB3 ASP A 85 -9.511 -9.725 -2.452 1.00 1.26 H new ATOM 1371 N PRO A 86 -13.128 -10.127 -2.545 1.00 1.04 N ATOM 1372 CA PRO A 86 -14.026 -8.982 -2.693 1.00 1.02 C ATOM 1373 C PRO A 86 -13.545 -7.807 -1.817 1.00 1.04 C ATOM 1374 O PRO A 86 -12.893 -8.045 -0.793 1.00 0.87 O ATOM 1375 CB PRO A 86 -15.403 -9.496 -2.262 1.00 1.02 C ATOM 1376 CG PRO A 86 -15.060 -10.547 -1.212 1.00 0.94 C ATOM 1377 CD PRO A 86 -13.760 -11.159 -1.734 1.00 0.95 C ATOM 0 HA PRO A 86 -14.055 -8.599 -3.713 1.00 1.02 H new ATOM 0 HB2 PRO A 86 -16.021 -8.699 -1.849 1.00 1.02 H new ATOM 0 HB3 PRO A 86 -15.954 -9.925 -3.099 1.00 1.02 H new ATOM 0 HG2 PRO A 86 -14.927 -10.101 -0.226 1.00 0.94 H new ATOM 0 HG3 PRO A 86 -15.848 -11.295 -1.120 1.00 0.94 H new ATOM 0 HD2 PRO A 86 -13.112 -11.460 -0.911 1.00 0.95 H new ATOM 0 HD3 PRO A 86 -13.959 -12.053 -2.325 1.00 0.95 H new ATOM 1385 N PRO A 87 -13.897 -6.547 -2.167 1.00 0.63 N ATOM 1386 CA PRO A 87 -13.362 -5.344 -1.527 1.00 0.69 C ATOM 1387 C PRO A 87 -13.495 -5.374 -0.010 1.00 0.99 C ATOM 1388 O PRO A 87 -12.528 -5.080 0.679 1.00 1.07 O ATOM 1389 CB PRO A 87 -14.110 -4.147 -2.130 1.00 0.72 C ATOM 1390 CG PRO A 87 -15.275 -4.761 -2.906 1.00 0.72 C ATOM 1391 CD PRO A 87 -14.795 -6.171 -3.246 1.00 0.66 C ATOM 0 HA PRO A 87 -12.291 -5.274 -1.716 1.00 0.69 H new ATOM 0 HB2 PRO A 87 -14.466 -3.471 -1.352 1.00 0.72 H new ATOM 0 HB3 PRO A 87 -13.462 -3.565 -2.785 1.00 0.72 H new ATOM 0 HG2 PRO A 87 -16.185 -4.784 -2.307 1.00 0.72 H new ATOM 0 HG3 PRO A 87 -15.500 -4.189 -3.806 1.00 0.72 H new ATOM 0 HD2 PRO A 87 -15.633 -6.864 -3.318 1.00 0.66 H new ATOM 0 HD3 PRO A 87 -14.282 -6.190 -4.208 1.00 0.66 H new ATOM 1399 N GLU A 88 -14.649 -5.807 0.509 1.00 0.56 N ATOM 1400 CA GLU A 88 -14.917 -5.875 1.945 1.00 0.69 C ATOM 1401 C GLU A 88 -13.982 -6.821 2.716 1.00 1.11 C ATOM 1402 O GLU A 88 -13.825 -6.670 3.924 1.00 1.33 O ATOM 1403 CB GLU A 88 -16.307 -6.457 2.188 1.00 0.83 C ATOM 1404 CG GLU A 88 -17.519 -5.888 1.450 1.00 1.24 C ATOM 1405 CD GLU A 88 -18.622 -6.945 1.517 1.00 2.27 C ATOM 1406 OE1 GLU A 88 -18.832 -7.492 2.628 1.00 2.60 O ATOM 1407 OE2 GLU A 88 -19.127 -7.294 0.433 1.00 3.58 O ATOM 0 H GLU A 88 -15.431 -6.123 -0.065 1.00 0.56 H new ATOM 0 HA GLU A 88 -14.788 -4.850 2.292 1.00 0.69 H new ATOM 0 HB2 GLU A 88 -16.257 -7.521 1.955 1.00 0.83 H new ATOM 0 HB3 GLU A 88 -16.510 -6.373 3.256 1.00 0.83 H new ATOM 0 HG2 GLU A 88 -17.849 -4.957 1.911 1.00 1.24 H new ATOM 0 HG3 GLU A 88 -17.267 -5.659 0.415 1.00 1.24 H new ATOM 1414 N VAL A 89 -13.483 -7.889 2.084 1.00 0.80 N ATOM 1415 CA VAL A 89 -12.577 -8.864 2.723 1.00 0.93 C ATOM 1416 C VAL A 89 -11.163 -8.290 2.840 1.00 1.10 C ATOM 1417 O VAL A 89 -10.594 -8.285 3.930 1.00 0.98 O ATOM 1418 CB VAL A 89 -12.605 -10.235 2.012 1.00 0.99 C ATOM 1419 CG1 VAL A 89 -11.483 -11.187 2.461 1.00 1.30 C ATOM 1420 CG2 VAL A 89 -13.956 -10.918 2.300 1.00 1.12 C ATOM 0 H VAL A 89 -13.694 -8.107 1.110 1.00 0.80 H new ATOM 0 HA VAL A 89 -12.939 -9.047 3.735 1.00 0.93 H new ATOM 0 HB VAL A 89 -12.459 -10.038 0.950 1.00 0.99 H new ATOM 0 HG11 VAL A 89 -11.567 -12.129 1.919 1.00 1.30 H new ATOM 0 HG12 VAL A 89 -10.515 -10.733 2.251 1.00 1.30 H new ATOM 0 HG13 VAL A 89 -11.572 -11.375 3.531 1.00 1.30 H new ATOM 0 HG21 VAL A 89 -13.987 -11.887 1.803 1.00 1.12 H new ATOM 0 HG22 VAL A 89 -14.071 -11.058 3.375 1.00 1.12 H new ATOM 0 HG23 VAL A 89 -14.767 -10.293 1.927 1.00 1.12 H new ATOM 1430 N ALA A 90 -10.626 -7.766 1.730 1.00 1.00 N ATOM 1431 CA ALA A 90 -9.366 -7.015 1.705 1.00 1.04 C ATOM 1432 C ALA A 90 -9.387 -5.835 2.697 1.00 1.10 C ATOM 1433 O ALA A 90 -8.432 -5.623 3.446 1.00 1.22 O ATOM 1434 CB ALA A 90 -9.136 -6.560 0.253 1.00 1.02 C ATOM 0 H ALA A 90 -11.062 -7.854 0.812 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.537 -7.644 2.029 1.00 1.04 H new ATOM 0 HB1 ALA A 90 -8.205 -5.996 0.192 1.00 1.02 H new ATOM 0 HB2 ALA A 90 -9.075 -7.433 -0.397 1.00 1.02 H new ATOM 0 HB3 ALA A 90 -9.965 -5.928 -0.066 1.00 1.02 H new ATOM 1440 N ASP A 91 -10.513 -5.123 2.754 1.00 1.01 N ATOM 1441 CA ASP A 91 -10.791 -4.023 3.675 1.00 0.98 C ATOM 1442 C ASP A 91 -10.825 -4.462 5.136 1.00 1.33 C ATOM 1443 O ASP A 91 -10.052 -3.932 5.936 1.00 1.46 O ATOM 1444 CB ASP A 91 -12.119 -3.380 3.261 1.00 1.04 C ATOM 1445 CG ASP A 91 -12.502 -2.240 4.187 1.00 1.10 C ATOM 1446 OD1 ASP A 91 -12.076 -1.098 3.923 1.00 1.53 O ATOM 1447 OD2 ASP A 91 -13.195 -2.469 5.203 1.00 2.12 O ATOM 0 H ASP A 91 -11.295 -5.308 2.126 1.00 1.01 H new ATOM 0 HA ASP A 91 -9.978 -3.300 3.609 1.00 0.98 H new ATOM 0 HB2 ASP A 91 -12.041 -3.009 2.239 1.00 1.04 H new ATOM 0 HB3 ASP A 91 -12.906 -4.134 3.267 1.00 1.04 H new ATOM 1452 N ARG A 92 -11.675 -5.435 5.491 1.00 0.98 N ATOM 1453 CA ARG A 92 -11.859 -5.810 6.897 1.00 0.91 C ATOM 1454 C ARG A 92 -10.576 -6.376 7.526 1.00 1.37 C ATOM 1455 O ARG A 92 -10.431 -6.328 8.744 1.00 1.71 O ATOM 1456 CB ARG A 92 -13.100 -6.705 7.076 1.00 0.83 C ATOM 1457 CG ARG A 92 -12.922 -8.187 6.708 1.00 2.08 C ATOM 1458 CD ARG A 92 -14.254 -8.958 6.762 1.00 2.50 C ATOM 1459 NE ARG A 92 -15.150 -8.623 5.639 1.00 3.29 N ATOM 1460 CZ ARG A 92 -16.459 -8.860 5.545 1.00 3.93 C ATOM 1461 NH1 ARG A 92 -17.171 -9.325 6.548 1.00 3.77 N ATOM 1462 NH2 ARG A 92 -17.088 -8.624 4.419 1.00 5.25 N ATOM 0 H ARG A 92 -12.240 -5.971 4.832 1.00 0.98 H new ATOM 0 HA ARG A 92 -12.062 -4.902 7.464 1.00 0.91 H new ATOM 0 HB2 ARG A 92 -13.419 -6.646 8.117 1.00 0.83 H new ATOM 0 HB3 ARG A 92 -13.909 -6.296 6.471 1.00 0.83 H new ATOM 0 HG2 ARG A 92 -12.499 -8.264 5.706 1.00 2.08 H new ATOM 0 HG3 ARG A 92 -12.209 -8.647 7.392 1.00 2.08 H new ATOM 0 HD2 ARG A 92 -14.050 -10.029 6.752 1.00 2.50 H new ATOM 0 HD3 ARG A 92 -14.759 -8.738 7.703 1.00 2.50 H new ATOM 0 HE ARG A 92 -14.718 -8.156 4.842 1.00 3.29 H new ATOM 0 HH11 ARG A 92 -16.724 -9.519 7.444 1.00 3.77 H new ATOM 0 HH12 ARG A 92 -18.170 -9.491 6.430 1.00 3.77 H new ATOM 0 HH21 ARG A 92 -16.576 -8.259 3.616 1.00 5.25 H new ATOM 0 HH22 ARG A 92 -18.089 -8.805 4.346 1.00 5.25 H new ATOM 1476 N TYR A 93 -9.619 -6.851 6.718 1.00 0.90 N ATOM 1477 CA TYR A 93 -8.259 -7.183 7.162 1.00 0.88 C ATOM 1478 C TYR A 93 -7.387 -5.949 7.465 1.00 1.07 C ATOM 1479 O TYR A 93 -6.841 -5.844 8.561 1.00 1.23 O ATOM 1480 CB TYR A 93 -7.595 -8.087 6.112 1.00 0.93 C ATOM 1481 CG TYR A 93 -6.294 -8.768 6.521 1.00 1.21 C ATOM 1482 CD1 TYR A 93 -6.132 -9.298 7.819 1.00 1.90 C ATOM 1483 CD2 TYR A 93 -5.281 -8.974 5.561 1.00 2.44 C ATOM 1484 CE1 TYR A 93 -5.014 -10.096 8.124 1.00 2.12 C ATOM 1485 CE2 TYR A 93 -4.163 -9.778 5.858 1.00 2.65 C ATOM 1486 CZ TYR A 93 -4.050 -10.375 7.132 1.00 1.82 C ATOM 1487 OH TYR A 93 -3.047 -11.251 7.404 1.00 2.27 O ATOM 0 H TYR A 93 -9.770 -7.018 5.723 1.00 0.90 H new ATOM 0 HA TYR A 93 -8.346 -7.711 8.112 1.00 0.88 H new ATOM 0 HB2 TYR A 93 -8.309 -8.860 5.828 1.00 0.93 H new ATOM 0 HB3 TYR A 93 -7.401 -7.489 5.222 1.00 0.93 H new ATOM 0 HD1 TYR A 93 -6.869 -9.090 8.581 1.00 1.90 H new ATOM 0 HD2 TYR A 93 -5.363 -8.511 4.589 1.00 2.44 H new ATOM 0 HE1 TYR A 93 -4.893 -10.496 9.120 1.00 2.12 H new ATOM 0 HE2 TYR A 93 -3.396 -9.937 5.114 1.00 2.65 H new ATOM 0 HH TYR A 93 -2.784 -11.713 6.581 1.00 2.27 H new ATOM 1497 N ALA A 94 -7.269 -5.006 6.529 1.00 0.86 N ATOM 1498 CA ALA A 94 -6.478 -3.785 6.712 1.00 0.90 C ATOM 1499 C ALA A 94 -7.032 -2.887 7.840 1.00 0.95 C ATOM 1500 O ALA A 94 -6.297 -2.448 8.727 1.00 0.98 O ATOM 1501 CB ALA A 94 -6.432 -3.062 5.361 1.00 1.08 C ATOM 0 H ALA A 94 -7.722 -5.067 5.617 1.00 0.86 H new ATOM 0 HA ALA A 94 -5.468 -4.041 7.033 1.00 0.90 H new ATOM 0 HB1 ALA A 94 -5.850 -2.146 5.458 1.00 1.08 H new ATOM 0 HB2 ALA A 94 -5.968 -3.710 4.617 1.00 1.08 H new ATOM 0 HB3 ALA A 94 -7.446 -2.816 5.045 1.00 1.08 H new ATOM 1507 N LYS A 95 -8.345 -2.660 7.866 1.00 0.86 N ATOM 1508 CA LYS A 95 -8.985 -1.808 8.876 1.00 0.90 C ATOM 1509 C LYS A 95 -8.961 -2.424 10.290 1.00 1.04 C ATOM 1510 O LYS A 95 -9.098 -1.684 11.264 1.00 1.17 O ATOM 1511 CB LYS A 95 -10.400 -1.409 8.408 1.00 1.15 C ATOM 1512 CG LYS A 95 -10.380 -0.656 7.058 1.00 2.30 C ATOM 1513 CD LYS A 95 -11.115 0.696 7.076 1.00 1.78 C ATOM 1514 CE LYS A 95 -12.633 0.610 7.264 1.00 1.31 C ATOM 1515 NZ LYS A 95 -13.304 0.127 6.035 1.00 2.07 N ATOM 0 H LYS A 95 -8.997 -3.059 7.190 1.00 0.86 H new ATOM 0 HA LYS A 95 -8.396 -0.896 8.970 1.00 0.90 H new ATOM 0 HB2 LYS A 95 -11.015 -2.304 8.313 1.00 1.15 H new ATOM 0 HB3 LYS A 95 -10.867 -0.780 9.166 1.00 1.15 H new ATOM 0 HG2 LYS A 95 -9.344 -0.489 6.764 1.00 2.30 H new ATOM 0 HG3 LYS A 95 -10.830 -1.291 6.295 1.00 2.30 H new ATOM 0 HD2 LYS A 95 -10.700 1.307 7.878 1.00 1.78 H new ATOM 0 HD3 LYS A 95 -10.910 1.216 6.140 1.00 1.78 H new ATOM 0 HE2 LYS A 95 -12.861 -0.061 8.092 1.00 1.31 H new ATOM 0 HE3 LYS A 95 -13.024 1.592 7.532 1.00 1.31 H new ATOM 0 HZ1 LYS A 95 -14.140 0.714 5.842 1.00 2.07 H new ATOM 0 HZ2 LYS A 95 -12.645 0.189 5.233 1.00 2.07 H new ATOM 0 HZ3 LYS A 95 -13.598 -0.862 6.166 1.00 2.07 H new ATOM 1529 N ALA A 96 -8.735 -3.743 10.423 1.00 0.80 N ATOM 1530 CA ALA A 96 -8.472 -4.380 11.718 1.00 0.81 C ATOM 1531 C ALA A 96 -7.096 -4.012 12.297 1.00 0.98 C ATOM 1532 O ALA A 96 -6.975 -3.879 13.511 1.00 1.14 O ATOM 1533 CB ALA A 96 -8.627 -5.896 11.562 1.00 0.82 C ATOM 0 H ALA A 96 -8.730 -4.392 9.636 1.00 0.80 H new ATOM 0 HA ALA A 96 -9.200 -4.006 12.438 1.00 0.81 H new ATOM 0 HB1 ALA A 96 -8.434 -6.382 12.518 1.00 0.82 H new ATOM 0 HB2 ALA A 96 -9.641 -6.126 11.236 1.00 0.82 H new ATOM 0 HB3 ALA A 96 -7.916 -6.260 10.820 1.00 0.82 H new ATOM 1539 N PHE A 97 -6.075 -3.786 11.456 1.00 0.90 N ATOM 1540 CA PHE A 97 -4.790 -3.237 11.908 1.00 0.96 C ATOM 1541 C PHE A 97 -4.883 -1.761 12.286 1.00 1.85 C ATOM 1542 O PHE A 97 -4.335 -1.369 13.316 1.00 2.17 O ATOM 1543 CB PHE A 97 -3.714 -3.436 10.837 1.00 1.05 C ATOM 1544 CG PHE A 97 -3.111 -4.813 10.892 1.00 1.15 C ATOM 1545 CD1 PHE A 97 -2.029 -5.053 11.754 1.00 1.74 C ATOM 1546 CD2 PHE A 97 -3.656 -5.857 10.127 1.00 2.27 C ATOM 1547 CE1 PHE A 97 -1.502 -6.350 11.867 1.00 1.84 C ATOM 1548 CE2 PHE A 97 -3.132 -7.153 10.240 1.00 2.19 C ATOM 1549 CZ PHE A 97 -2.062 -7.402 11.121 1.00 1.42 C ATOM 0 H PHE A 97 -6.116 -3.977 10.455 1.00 0.90 H new ATOM 0 HA PHE A 97 -4.514 -3.786 12.808 1.00 0.96 H new ATOM 0 HB2 PHE A 97 -4.149 -3.270 9.851 1.00 1.05 H new ATOM 0 HB3 PHE A 97 -2.929 -2.691 10.969 1.00 1.05 H new ATOM 0 HD1 PHE A 97 -1.603 -4.243 12.328 1.00 1.74 H new ATOM 0 HD2 PHE A 97 -4.477 -5.662 9.453 1.00 2.27 H new ATOM 0 HE1 PHE A 97 -0.668 -6.539 12.526 1.00 1.84 H new ATOM 0 HE2 PHE A 97 -3.548 -7.958 9.653 1.00 2.19 H new ATOM 0 HZ PHE A 97 -1.671 -8.403 11.224 1.00 1.42 H new ATOM 1559 N HIS A 98 -5.554 -0.934 11.473 1.00 1.07 N ATOM 1560 CA HIS A 98 -5.704 0.492 11.781 1.00 1.11 C ATOM 1561 C HIS A 98 -6.739 1.264 10.934 1.00 1.38 C ATOM 1562 O HIS A 98 -6.754 1.094 9.715 1.00 1.51 O ATOM 1563 CB HIS A 98 -4.335 1.195 11.652 1.00 1.16 C ATOM 1564 CG HIS A 98 -4.139 2.189 12.768 1.00 1.48 C ATOM 1565 ND1 HIS A 98 -4.128 3.564 12.678 1.00 2.17 N ATOM 1566 CD2 HIS A 98 -4.163 1.878 14.104 1.00 2.39 C ATOM 1567 CE1 HIS A 98 -4.175 4.052 13.929 1.00 3.05 C ATOM 1568 NE2 HIS A 98 -4.193 3.063 14.829 1.00 3.22 N ATOM 0 H HIS A 98 -5.998 -1.227 10.603 1.00 1.07 H new ATOM 0 HA HIS A 98 -6.090 0.513 12.800 1.00 1.11 H new ATOM 0 HB2 HIS A 98 -3.536 0.454 11.674 1.00 1.16 H new ATOM 0 HB3 HIS A 98 -4.271 1.704 10.690 1.00 1.16 H new ATOM 0 HD2 HIS A 98 -4.159 0.882 14.521 1.00 2.39 H new ATOM 0 HE1 HIS A 98 -4.196 5.103 14.175 1.00 3.05 H new ATOM 0 HE2 HIS A 98 -4.223 3.159 15.844 1.00 3.22 H new ATOM 1577 N PRO A 99 -7.493 2.226 11.514 1.00 1.21 N ATOM 1578 CA PRO A 99 -8.360 3.155 10.770 1.00 1.58 C ATOM 1579 C PRO A 99 -7.602 4.243 9.974 1.00 1.99 C ATOM 1580 O PRO A 99 -8.219 5.162 9.456 1.00 2.36 O ATOM 1581 CB PRO A 99 -9.294 3.755 11.827 1.00 1.65 C ATOM 1582 CG PRO A 99 -8.430 3.764 13.083 1.00 1.43 C ATOM 1583 CD PRO A 99 -7.642 2.464 12.944 1.00 1.22 C ATOM 0 HA PRO A 99 -8.900 2.621 9.988 1.00 1.58 H new ATOM 0 HB2 PRO A 99 -9.620 4.759 11.554 1.00 1.65 H new ATOM 0 HB3 PRO A 99 -10.193 3.153 11.960 1.00 1.65 H new ATOM 0 HG2 PRO A 99 -7.775 4.635 13.120 1.00 1.43 H new ATOM 0 HG3 PRO A 99 -9.033 3.779 13.991 1.00 1.43 H new ATOM 0 HD2 PRO A 99 -6.669 2.546 13.428 1.00 1.22 H new ATOM 0 HD3 PRO A 99 -8.168 1.638 13.423 1.00 1.22 H new ATOM 1591 N SER A 100 -6.275 4.148 9.838 1.00 1.86 N ATOM 1592 CA SER A 100 -5.499 4.876 8.807 1.00 2.19 C ATOM 1593 C SER A 100 -5.590 4.193 7.419 1.00 1.85 C ATOM 1594 O SER A 100 -5.133 4.734 6.403 1.00 1.95 O ATOM 1595 CB SER A 100 -4.040 4.927 9.299 1.00 2.82 C ATOM 1596 OG SER A 100 -3.102 5.412 8.357 1.00 4.18 O ATOM 0 H SER A 100 -5.698 3.562 10.441 1.00 1.86 H new ATOM 0 HA SER A 100 -5.906 5.879 8.674 1.00 2.19 H new ATOM 0 HB2 SER A 100 -3.995 5.555 10.188 1.00 2.82 H new ATOM 0 HB3 SER A 100 -3.741 3.924 9.602 1.00 2.82 H new ATOM 0 HG SER A 100 -2.525 6.079 8.784 1.00 4.18 H new ATOM 1602 N PHE A 101 -6.123 2.959 7.395 1.00 1.39 N ATOM 1603 CA PHE A 101 -6.051 2.042 6.263 1.00 1.18 C ATOM 1604 C PHE A 101 -7.430 1.838 5.603 1.00 1.79 C ATOM 1605 O PHE A 101 -8.470 2.003 6.238 1.00 2.22 O ATOM 1606 CB PHE A 101 -5.480 0.677 6.699 1.00 1.21 C ATOM 1607 CG PHE A 101 -4.179 0.586 7.493 1.00 1.37 C ATOM 1608 CD1 PHE A 101 -3.367 1.693 7.821 1.00 2.19 C ATOM 1609 CD2 PHE A 101 -3.759 -0.693 7.895 1.00 2.66 C ATOM 1610 CE1 PHE A 101 -2.198 1.531 8.582 1.00 2.30 C ATOM 1611 CE2 PHE A 101 -2.583 -0.862 8.638 1.00 2.93 C ATOM 1612 CZ PHE A 101 -1.812 0.248 8.993 1.00 2.12 C ATOM 0 H PHE A 101 -6.629 2.569 8.190 1.00 1.39 H new ATOM 0 HA PHE A 101 -5.384 2.494 5.529 1.00 1.18 H new ATOM 0 HB2 PHE A 101 -6.250 0.183 7.291 1.00 1.21 H new ATOM 0 HB3 PHE A 101 -5.344 0.084 5.794 1.00 1.21 H new ATOM 0 HD1 PHE A 101 -3.649 2.679 7.482 1.00 2.19 H new ATOM 0 HD2 PHE A 101 -4.350 -1.557 7.628 1.00 2.66 H new ATOM 0 HE1 PHE A 101 -1.600 2.390 8.849 1.00 2.30 H new ATOM 0 HE2 PHE A 101 -2.272 -1.852 8.937 1.00 2.93 H new ATOM 0 HZ PHE A 101 -0.918 0.117 9.585 1.00 2.12 H new ATOM 1622 N LEU A 102 -7.424 1.434 4.328 1.00 0.90 N ATOM 1623 CA LEU A 102 -8.584 1.114 3.477 1.00 0.75 C ATOM 1624 C LEU A 102 -8.249 -0.079 2.561 1.00 0.99 C ATOM 1625 O LEU A 102 -7.103 -0.190 2.121 1.00 1.27 O ATOM 1626 CB LEU A 102 -8.913 2.384 2.660 1.00 0.74 C ATOM 1627 CG LEU A 102 -10.096 2.284 1.673 1.00 1.05 C ATOM 1628 CD1 LEU A 102 -11.430 2.069 2.400 1.00 1.19 C ATOM 1629 CD2 LEU A 102 -10.173 3.570 0.835 1.00 1.90 C ATOM 0 H LEU A 102 -6.546 1.312 3.824 1.00 0.90 H new ATOM 0 HA LEU A 102 -9.449 0.825 4.073 1.00 0.75 H new ATOM 0 HB2 LEU A 102 -9.120 3.194 3.359 1.00 0.74 H new ATOM 0 HB3 LEU A 102 -8.023 2.667 2.098 1.00 0.74 H new ATOM 0 HG LEU A 102 -9.922 1.421 1.030 1.00 1.05 H new ATOM 0 HD11 LEU A 102 -12.236 2.004 1.669 1.00 1.19 H new ATOM 0 HD12 LEU A 102 -11.386 1.144 2.975 1.00 1.19 H new ATOM 0 HD13 LEU A 102 -11.617 2.906 3.073 1.00 1.19 H new ATOM 0 HD21 LEU A 102 -11.008 3.500 0.138 1.00 1.90 H new ATOM 0 HD22 LEU A 102 -10.321 4.425 1.494 1.00 1.90 H new ATOM 0 HD23 LEU A 102 -9.245 3.697 0.278 1.00 1.90 H new ATOM 1641 N GLY A 103 -9.228 -0.934 2.226 1.00 0.60 N ATOM 1642 CA GLY A 103 -9.056 -2.030 1.251 1.00 0.61 C ATOM 1643 C GLY A 103 -9.861 -1.860 -0.040 1.00 0.69 C ATOM 1644 O GLY A 103 -11.042 -1.507 -0.001 1.00 0.76 O ATOM 0 H GLY A 103 -10.166 -0.887 2.624 1.00 0.60 H new ATOM 0 HA2 GLY A 103 -7.999 -2.112 0.998 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -9.344 -2.969 1.724 1.00 0.61 H new ATOM 1648 N LEU A 104 -9.233 -2.163 -1.182 1.00 0.58 N ATOM 1649 CA LEU A 104 -9.813 -2.032 -2.524 1.00 0.58 C ATOM 1650 C LEU A 104 -9.665 -3.344 -3.320 1.00 1.15 C ATOM 1651 O LEU A 104 -8.574 -3.880 -3.503 1.00 1.42 O ATOM 1652 CB LEU A 104 -9.144 -0.857 -3.263 1.00 0.64 C ATOM 1653 CG LEU A 104 -9.198 0.522 -2.563 1.00 0.69 C ATOM 1654 CD1 LEU A 104 -8.426 1.564 -3.387 1.00 0.79 C ATOM 1655 CD2 LEU A 104 -10.626 1.051 -2.354 1.00 1.16 C ATOM 0 H LEU A 104 -8.277 -2.517 -1.198 1.00 0.58 H new ATOM 0 HA LEU A 104 -10.879 -1.827 -2.430 1.00 0.58 H new ATOM 0 HB2 LEU A 104 -8.098 -1.112 -3.433 1.00 0.64 H new ATOM 0 HB3 LEU A 104 -9.611 -0.760 -4.243 1.00 0.64 H new ATOM 0 HG LEU A 104 -8.747 0.371 -1.582 1.00 0.69 H new ATOM 0 HD11 LEU A 104 -8.471 2.531 -2.885 1.00 0.79 H new ATOM 0 HD12 LEU A 104 -7.386 1.253 -3.484 1.00 0.79 H new ATOM 0 HD13 LEU A 104 -8.873 1.649 -4.377 1.00 0.79 H new ATOM 0 HD21 LEU A 104 -10.586 2.021 -1.858 1.00 1.16 H new ATOM 0 HD22 LEU A 104 -11.120 1.157 -3.320 1.00 1.16 H new ATOM 0 HD23 LEU A 104 -11.187 0.350 -1.735 1.00 1.16 H new ATOM 1667 N SER A 105 -10.775 -3.886 -3.807 1.00 0.58 N ATOM 1668 CA SER A 105 -10.804 -4.936 -4.830 1.00 0.63 C ATOM 1669 C SER A 105 -12.050 -4.747 -5.690 1.00 0.90 C ATOM 1670 O SER A 105 -12.998 -4.111 -5.236 1.00 1.15 O ATOM 1671 CB SER A 105 -10.825 -6.326 -4.201 1.00 0.70 C ATOM 1672 OG SER A 105 -10.570 -7.300 -5.191 1.00 1.05 O ATOM 0 H SER A 105 -11.705 -3.604 -3.497 1.00 0.58 H new ATOM 0 HA SER A 105 -9.902 -4.857 -5.438 1.00 0.63 H new ATOM 0 HB2 SER A 105 -10.075 -6.390 -3.412 1.00 0.70 H new ATOM 0 HB3 SER A 105 -11.793 -6.511 -3.736 1.00 0.70 H new ATOM 0 HG SER A 105 -10.635 -8.194 -4.795 1.00 1.05 H new ATOM 1678 N GLY A 106 -12.104 -5.317 -6.892 1.00 0.86 N ATOM 1679 CA GLY A 106 -13.212 -5.052 -7.805 1.00 0.95 C ATOM 1680 C GLY A 106 -13.108 -5.747 -9.146 1.00 1.06 C ATOM 1681 O GLY A 106 -12.663 -6.891 -9.237 1.00 1.27 O ATOM 0 H GLY A 106 -11.400 -5.960 -7.254 1.00 0.86 H new ATOM 0 HA2 GLY A 106 -14.142 -5.357 -7.324 1.00 0.95 H new ATOM 0 HA3 GLY A 106 -13.277 -3.977 -7.973 1.00 0.95 H new ATOM 1685 N SER A 107 -13.555 -5.046 -10.181 1.00 0.95 N ATOM 1686 CA SER A 107 -13.428 -5.453 -11.577 1.00 1.07 C ATOM 1687 C SER A 107 -11.981 -5.841 -11.979 1.00 1.13 C ATOM 1688 O SER A 107 -11.008 -5.255 -11.470 1.00 1.04 O ATOM 1689 CB SER A 107 -13.988 -4.339 -12.477 1.00 1.18 C ATOM 1690 OG SER A 107 -13.290 -3.120 -12.305 1.00 1.95 O ATOM 0 H SER A 107 -14.031 -4.151 -10.069 1.00 0.95 H new ATOM 0 HA SER A 107 -14.011 -6.364 -11.712 1.00 1.07 H new ATOM 0 HB2 SER A 107 -13.925 -4.649 -13.520 1.00 1.18 H new ATOM 0 HB3 SER A 107 -15.044 -4.187 -12.253 1.00 1.18 H new ATOM 0 HG SER A 107 -13.700 -2.608 -11.576 1.00 1.95 H new ATOM 1696 N PRO A 108 -11.808 -6.814 -12.903 1.00 1.35 N ATOM 1697 CA PRO A 108 -10.489 -7.227 -13.384 1.00 1.52 C ATOM 1698 C PRO A 108 -9.777 -6.094 -14.136 1.00 1.65 C ATOM 1699 O PRO A 108 -8.552 -5.995 -14.058 1.00 1.55 O ATOM 1700 CB PRO A 108 -10.727 -8.463 -14.258 1.00 1.93 C ATOM 1701 CG PRO A 108 -12.172 -8.319 -14.725 1.00 1.94 C ATOM 1702 CD PRO A 108 -12.849 -7.593 -13.563 1.00 1.67 C ATOM 0 HA PRO A 108 -9.820 -7.468 -12.558 1.00 1.52 H new ATOM 0 HB2 PRO A 108 -10.037 -8.493 -15.101 1.00 1.93 H new ATOM 0 HB3 PRO A 108 -10.581 -9.384 -13.694 1.00 1.93 H new ATOM 0 HG2 PRO A 108 -12.240 -7.747 -15.650 1.00 1.94 H new ATOM 0 HG3 PRO A 108 -12.631 -9.289 -14.915 1.00 1.94 H new ATOM 0 HD2 PRO A 108 -13.649 -6.946 -13.922 1.00 1.67 H new ATOM 0 HD3 PRO A 108 -13.300 -8.304 -12.871 1.00 1.67 H new ATOM 1710 N GLU A 109 -10.537 -5.216 -14.803 1.00 1.48 N ATOM 1711 CA GLU A 109 -10.056 -3.963 -15.381 1.00 1.55 C ATOM 1712 C GLU A 109 -9.446 -3.068 -14.299 1.00 1.39 C ATOM 1713 O GLU A 109 -8.269 -2.720 -14.402 1.00 1.44 O ATOM 1714 CB GLU A 109 -11.188 -3.202 -16.101 1.00 1.91 C ATOM 1715 CG GLU A 109 -11.783 -3.925 -17.320 1.00 2.09 C ATOM 1716 CD GLU A 109 -12.909 -4.915 -17.001 1.00 2.81 C ATOM 1717 OE1 GLU A 109 -13.052 -5.311 -15.819 1.00 3.38 O ATOM 1718 OE2 GLU A 109 -13.603 -5.303 -17.963 1.00 3.69 O ATOM 0 H GLU A 109 -11.534 -5.366 -14.958 1.00 1.48 H new ATOM 0 HA GLU A 109 -9.290 -4.217 -16.113 1.00 1.55 H new ATOM 0 HB2 GLU A 109 -11.988 -3.009 -15.386 1.00 1.91 H new ATOM 0 HB3 GLU A 109 -10.807 -2.233 -16.423 1.00 1.91 H new ATOM 0 HG2 GLU A 109 -12.163 -3.178 -18.017 1.00 2.09 H new ATOM 0 HG3 GLU A 109 -10.983 -4.460 -17.832 1.00 2.09 H new ATOM 1725 N ALA A 110 -10.197 -2.737 -13.242 1.00 1.07 N ATOM 1726 CA ALA A 110 -9.722 -1.856 -12.172 1.00 0.89 C ATOM 1727 C ALA A 110 -8.461 -2.382 -11.477 1.00 0.86 C ATOM 1728 O ALA A 110 -7.490 -1.636 -11.345 1.00 0.87 O ATOM 1729 CB ALA A 110 -10.849 -1.638 -11.166 1.00 0.91 C ATOM 0 H ALA A 110 -11.150 -3.073 -13.106 1.00 1.07 H new ATOM 0 HA ALA A 110 -9.438 -0.906 -12.625 1.00 0.89 H new ATOM 0 HB1 ALA A 110 -10.502 -0.983 -10.367 1.00 0.91 H new ATOM 0 HB2 ALA A 110 -11.701 -1.178 -11.668 1.00 0.91 H new ATOM 0 HB3 ALA A 110 -11.151 -2.597 -10.744 1.00 0.91 H new ATOM 1735 N VAL A 111 -8.428 -3.662 -11.076 1.00 0.75 N ATOM 1736 CA VAL A 111 -7.199 -4.206 -10.438 1.00 0.72 C ATOM 1737 C VAL A 111 -6.009 -4.237 -11.417 1.00 1.14 C ATOM 1738 O VAL A 111 -4.860 -4.090 -10.994 1.00 1.00 O ATOM 1739 CB VAL A 111 -7.373 -5.580 -9.748 1.00 0.68 C ATOM 1740 CG1 VAL A 111 -8.403 -5.520 -8.607 1.00 2.72 C ATOM 1741 CG2 VAL A 111 -7.740 -6.699 -10.729 1.00 2.45 C ATOM 0 H VAL A 111 -9.198 -4.324 -11.172 1.00 0.75 H new ATOM 0 HA VAL A 111 -6.983 -3.501 -9.635 1.00 0.72 H new ATOM 0 HB VAL A 111 -6.397 -5.821 -9.326 1.00 0.68 H new ATOM 0 HG11 VAL A 111 -8.496 -6.505 -8.149 1.00 2.72 H new ATOM 0 HG12 VAL A 111 -8.074 -4.800 -7.857 1.00 2.72 H new ATOM 0 HG13 VAL A 111 -9.370 -5.213 -9.005 1.00 2.72 H new ATOM 0 HG21 VAL A 111 -7.848 -7.638 -10.186 1.00 2.45 H new ATOM 0 HG22 VAL A 111 -8.680 -6.455 -11.224 1.00 2.45 H new ATOM 0 HG23 VAL A 111 -6.953 -6.801 -11.476 1.00 2.45 H new ATOM 1751 N ARG A 112 -6.272 -4.366 -12.728 1.00 0.92 N ATOM 1752 CA ARG A 112 -5.242 -4.239 -13.759 1.00 1.03 C ATOM 1753 C ARG A 112 -4.748 -2.797 -13.933 1.00 1.20 C ATOM 1754 O ARG A 112 -3.535 -2.631 -14.061 1.00 1.32 O ATOM 1755 CB ARG A 112 -5.710 -4.853 -15.083 1.00 1.21 C ATOM 1756 CG ARG A 112 -4.537 -4.848 -16.071 1.00 1.53 C ATOM 1757 CD ARG A 112 -4.740 -5.810 -17.234 1.00 2.31 C ATOM 1758 NE ARG A 112 -3.494 -5.885 -18.014 1.00 2.80 N ATOM 1759 CZ ARG A 112 -3.159 -6.752 -18.955 1.00 3.78 C ATOM 1760 NH1 ARG A 112 -4.014 -7.613 -19.471 1.00 4.55 N ATOM 1761 NH2 ARG A 112 -1.911 -6.740 -19.370 1.00 4.64 N ATOM 0 H ARG A 112 -7.203 -4.561 -13.097 1.00 0.92 H new ATOM 0 HA ARG A 112 -4.378 -4.808 -13.416 1.00 1.03 H new ATOM 0 HB2 ARG A 112 -6.064 -5.871 -14.923 1.00 1.21 H new ATOM 0 HB3 ARG A 112 -6.547 -4.284 -15.488 1.00 1.21 H new ATOM 0 HG2 ARG A 112 -4.400 -3.839 -16.460 1.00 1.53 H new ATOM 0 HG3 ARG A 112 -3.621 -5.113 -15.542 1.00 1.53 H new ATOM 0 HD2 ARG A 112 -5.012 -6.798 -16.863 1.00 2.31 H new ATOM 0 HD3 ARG A 112 -5.560 -5.470 -17.866 1.00 2.31 H new ATOM 0 HE ARG A 112 -2.795 -5.173 -17.800 1.00 2.80 H new ATOM 0 HH11 ARG A 112 -4.981 -7.629 -19.146 1.00 4.55 H new ATOM 0 HH12 ARG A 112 -3.709 -8.263 -20.195 1.00 4.55 H new ATOM 0 HH21 ARG A 112 -1.246 -6.080 -18.968 1.00 4.64 H new ATOM 0 HH22 ARG A 112 -1.608 -7.391 -20.094 1.00 4.64 H new ATOM 1775 N GLU A 113 -5.624 -1.788 -13.930 1.00 0.97 N ATOM 1776 CA GLU A 113 -5.253 -0.372 -14.092 1.00 1.02 C ATOM 1777 C GLU A 113 -4.100 0.002 -13.152 1.00 1.07 C ATOM 1778 O GLU A 113 -3.005 0.335 -13.605 1.00 1.15 O ATOM 1779 CB GLU A 113 -6.467 0.534 -13.854 1.00 1.19 C ATOM 1780 CG GLU A 113 -7.337 0.606 -15.112 1.00 1.56 C ATOM 1781 CD GLU A 113 -6.910 1.765 -16.014 1.00 2.51 C ATOM 1782 OE1 GLU A 113 -7.220 2.913 -15.635 1.00 3.97 O ATOM 1783 OE2 GLU A 113 -6.265 1.489 -17.048 1.00 2.63 O ATOM 0 H GLU A 113 -6.627 -1.930 -13.813 1.00 0.97 H new ATOM 0 HA GLU A 113 -4.912 -0.224 -15.117 1.00 1.02 H new ATOM 0 HB2 GLU A 113 -7.055 0.152 -13.019 1.00 1.19 H new ATOM 0 HB3 GLU A 113 -6.133 1.534 -13.578 1.00 1.19 H new ATOM 0 HG2 GLU A 113 -7.264 -0.332 -15.662 1.00 1.56 H new ATOM 0 HG3 GLU A 113 -8.382 0.729 -14.828 1.00 1.56 H new ATOM 1790 N ALA A 114 -4.306 -0.170 -11.841 1.00 0.63 N ATOM 1791 CA ALA A 114 -3.339 0.196 -10.804 1.00 0.61 C ATOM 1792 C ALA A 114 -2.016 -0.581 -10.928 1.00 0.96 C ATOM 1793 O ALA A 114 -0.923 -0.033 -10.779 1.00 1.08 O ATOM 1794 CB ALA A 114 -4.029 -0.034 -9.453 1.00 0.60 C ATOM 0 H ALA A 114 -5.164 -0.574 -11.467 1.00 0.63 H new ATOM 0 HA ALA A 114 -3.049 1.241 -10.910 1.00 0.61 H new ATOM 0 HB1 ALA A 114 -3.344 0.226 -8.646 1.00 0.60 H new ATOM 0 HB2 ALA A 114 -4.920 0.591 -9.389 1.00 0.60 H new ATOM 0 HB3 ALA A 114 -4.314 -1.082 -9.364 1.00 0.60 H new ATOM 1800 N ALA A 115 -2.104 -1.873 -11.252 1.00 0.78 N ATOM 1801 CA ALA A 115 -0.944 -2.737 -11.440 1.00 0.96 C ATOM 1802 C ALA A 115 -0.102 -2.336 -12.660 1.00 1.25 C ATOM 1803 O ALA A 115 1.132 -2.394 -12.599 1.00 1.52 O ATOM 1804 CB ALA A 115 -1.456 -4.169 -11.574 1.00 0.99 C ATOM 0 H ALA A 115 -2.994 -2.351 -11.392 1.00 0.78 H new ATOM 0 HA ALA A 115 -0.280 -2.641 -10.581 1.00 0.96 H new ATOM 0 HB1 ALA A 115 -0.613 -4.845 -11.716 1.00 0.99 H new ATOM 0 HB2 ALA A 115 -1.996 -4.448 -10.670 1.00 0.99 H new ATOM 0 HB3 ALA A 115 -2.125 -4.237 -12.432 1.00 0.99 H new ATOM 1810 N GLN A 116 -0.755 -1.896 -13.744 1.00 1.16 N ATOM 1811 CA GLN A 116 -0.096 -1.359 -14.932 1.00 1.39 C ATOM 1812 C GLN A 116 0.546 0.004 -14.656 1.00 1.50 C ATOM 1813 O GLN A 116 1.591 0.274 -15.249 1.00 1.79 O ATOM 1814 CB GLN A 116 -1.097 -1.234 -16.095 1.00 1.57 C ATOM 1815 CG GLN A 116 -1.602 -2.575 -16.660 1.00 1.74 C ATOM 1816 CD GLN A 116 -0.618 -3.402 -17.487 1.00 1.95 C ATOM 1817 OE1 GLN A 116 -0.907 -4.543 -17.837 1.00 2.30 O ATOM 1818 NE2 GLN A 116 0.549 -2.907 -17.848 1.00 2.76 N ATOM 0 H GLN A 116 -1.772 -1.905 -13.817 1.00 1.16 H new ATOM 0 HA GLN A 116 0.694 -2.058 -15.208 1.00 1.39 H new ATOM 0 HB2 GLN A 116 -1.955 -0.652 -15.757 1.00 1.57 H new ATOM 0 HB3 GLN A 116 -0.627 -0.670 -16.901 1.00 1.57 H new ATOM 0 HG2 GLN A 116 -1.939 -3.188 -15.824 1.00 1.74 H new ATOM 0 HG3 GLN A 116 -2.476 -2.373 -17.279 1.00 1.74 H new ATOM 0 HE21 GLN A 116 0.810 -1.961 -17.569 1.00 2.76 H new ATOM 0 HE22 GLN A 116 1.191 -3.469 -18.407 1.00 2.76 H new ATOM 1827 N THR A 117 -0.037 0.832 -13.771 1.00 1.00 N ATOM 1828 CA THR A 117 0.498 2.177 -13.462 1.00 0.91 C ATOM 1829 C THR A 117 1.821 2.076 -12.724 1.00 1.16 C ATOM 1830 O THR A 117 2.803 2.736 -13.072 1.00 1.17 O ATOM 1831 CB THR A 117 -0.437 3.047 -12.599 1.00 0.84 C ATOM 1832 OG1 THR A 117 -1.757 2.587 -12.532 1.00 1.81 O ATOM 1833 CG2 THR A 117 -0.449 4.478 -13.116 1.00 1.30 C ATOM 0 H THR A 117 -0.883 0.595 -13.253 1.00 1.00 H new ATOM 0 HA THR A 117 0.610 2.655 -14.435 1.00 0.91 H new ATOM 0 HB THR A 117 -0.029 2.991 -11.590 1.00 0.84 H new ATOM 0 HG1 THR A 117 -2.345 3.320 -12.254 1.00 1.81 H new ATOM 0 HG21 THR A 117 -1.113 5.083 -12.498 1.00 1.30 H new ATOM 0 HG22 THR A 117 0.560 4.889 -13.074 1.00 1.30 H new ATOM 0 HG23 THR A 117 -0.802 4.489 -14.147 1.00 1.30 H new ATOM 1841 N PHE A 118 1.843 1.270 -11.663 1.00 0.90 N ATOM 1842 CA PHE A 118 3.029 1.049 -10.848 1.00 1.04 C ATOM 1843 C PHE A 118 4.082 0.179 -11.546 1.00 2.18 C ATOM 1844 O PHE A 118 5.256 0.561 -11.564 1.00 2.71 O ATOM 1845 CB PHE A 118 2.602 0.457 -9.499 1.00 1.07 C ATOM 1846 CG PHE A 118 1.799 1.418 -8.650 1.00 1.05 C ATOM 1847 CD1 PHE A 118 2.343 2.663 -8.289 1.00 1.82 C ATOM 1848 CD2 PHE A 118 0.495 1.089 -8.247 1.00 2.49 C ATOM 1849 CE1 PHE A 118 1.586 3.574 -7.536 1.00 1.78 C ATOM 1850 CE2 PHE A 118 -0.268 2.002 -7.501 1.00 2.41 C ATOM 1851 CZ PHE A 118 0.283 3.247 -7.144 1.00 1.27 C ATOM 0 H PHE A 118 1.027 0.748 -11.345 1.00 0.90 H new ATOM 0 HA PHE A 118 3.517 2.010 -10.686 1.00 1.04 H new ATOM 0 HB2 PHE A 118 2.011 -0.442 -9.675 1.00 1.07 H new ATOM 0 HB3 PHE A 118 3.491 0.151 -8.947 1.00 1.07 H new ATOM 0 HD1 PHE A 118 3.347 2.919 -8.592 1.00 1.82 H new ATOM 0 HD2 PHE A 118 0.077 0.129 -8.512 1.00 2.49 H new ATOM 0 HE1 PHE A 118 2.009 4.528 -7.259 1.00 1.78 H new ATOM 0 HE2 PHE A 118 -1.275 1.750 -7.202 1.00 2.41 H new ATOM 0 HZ PHE A 118 -0.300 3.950 -6.567 1.00 1.27 H new ATOM 1861 N GLY A 119 3.671 -0.961 -12.117 1.00 1.13 N ATOM 1862 CA GLY A 119 4.553 -2.081 -12.478 1.00 1.19 C ATOM 1863 C GLY A 119 4.495 -3.215 -11.452 1.00 0.95 C ATOM 1864 O GLY A 119 5.530 -3.685 -10.990 1.00 0.92 O ATOM 0 H GLY A 119 2.693 -1.135 -12.347 1.00 1.13 H new ATOM 0 HA2 GLY A 119 4.268 -2.465 -13.458 1.00 1.19 H new ATOM 0 HA3 GLY A 119 5.579 -1.721 -12.562 1.00 1.19 H new ATOM 1868 N VAL A 120 3.280 -3.638 -11.097 1.00 1.00 N ATOM 1869 CA VAL A 120 3.005 -4.779 -10.204 1.00 0.80 C ATOM 1870 C VAL A 120 2.613 -5.992 -11.047 1.00 0.94 C ATOM 1871 O VAL A 120 1.970 -5.850 -12.089 1.00 1.19 O ATOM 1872 CB VAL A 120 1.897 -4.446 -9.182 1.00 0.88 C ATOM 1873 CG1 VAL A 120 1.433 -5.650 -8.339 1.00 0.91 C ATOM 1874 CG2 VAL A 120 2.389 -3.354 -8.225 1.00 1.30 C ATOM 0 H VAL A 120 2.429 -3.185 -11.431 1.00 1.00 H new ATOM 0 HA VAL A 120 3.908 -5.003 -9.636 1.00 0.80 H new ATOM 0 HB VAL A 120 1.042 -4.116 -9.772 1.00 0.88 H new ATOM 0 HG11 VAL A 120 0.654 -5.331 -7.647 1.00 0.91 H new ATOM 0 HG12 VAL A 120 1.039 -6.424 -8.997 1.00 0.91 H new ATOM 0 HG13 VAL A 120 2.278 -6.047 -7.776 1.00 0.91 H new ATOM 0 HG21 VAL A 120 1.605 -3.121 -7.505 1.00 1.30 H new ATOM 0 HG22 VAL A 120 3.275 -3.706 -7.696 1.00 1.30 H new ATOM 0 HG23 VAL A 120 2.638 -2.458 -8.793 1.00 1.30 H new ATOM 1884 N PHE A 121 3.002 -7.178 -10.573 1.00 0.84 N ATOM 1885 CA PHE A 121 2.777 -8.457 -11.234 1.00 0.91 C ATOM 1886 C PHE A 121 2.326 -9.527 -10.227 1.00 1.73 C ATOM 1887 O PHE A 121 2.855 -9.641 -9.120 1.00 1.72 O ATOM 1888 CB PHE A 121 4.054 -8.864 -11.990 1.00 0.98 C ATOM 1889 CG PHE A 121 5.331 -8.858 -11.162 1.00 0.98 C ATOM 1890 CD1 PHE A 121 6.109 -7.686 -11.072 1.00 1.96 C ATOM 1891 CD2 PHE A 121 5.744 -10.022 -10.487 1.00 2.39 C ATOM 1892 CE1 PHE A 121 7.300 -7.689 -10.324 1.00 1.90 C ATOM 1893 CE2 PHE A 121 6.934 -10.022 -9.739 1.00 2.31 C ATOM 1894 CZ PHE A 121 7.718 -8.859 -9.667 1.00 1.15 C ATOM 0 H PHE A 121 3.499 -7.273 -9.687 1.00 0.84 H new ATOM 0 HA PHE A 121 1.968 -8.360 -11.958 1.00 0.91 H new ATOM 0 HB2 PHE A 121 3.911 -9.864 -12.399 1.00 0.98 H new ATOM 0 HB3 PHE A 121 4.186 -8.189 -12.836 1.00 0.98 H new ATOM 0 HD1 PHE A 121 5.791 -6.786 -11.577 1.00 1.96 H new ATOM 0 HD2 PHE A 121 5.144 -10.918 -10.544 1.00 2.39 H new ATOM 0 HE1 PHE A 121 7.895 -6.790 -10.254 1.00 1.90 H new ATOM 0 HE2 PHE A 121 7.245 -10.916 -9.220 1.00 2.31 H new ATOM 0 HZ PHE A 121 8.642 -8.864 -9.107 1.00 1.15 H new ATOM 1904 N TYR A 122 1.333 -10.313 -10.635 1.00 0.97 N ATOM 1905 CA TYR A 122 0.760 -11.404 -9.849 1.00 1.01 C ATOM 1906 C TYR A 122 0.416 -12.629 -10.710 1.00 1.47 C ATOM 1907 O TYR A 122 0.328 -12.532 -11.935 1.00 1.55 O ATOM 1908 CB TYR A 122 -0.463 -10.899 -9.063 1.00 1.00 C ATOM 1909 CG TYR A 122 -1.611 -10.384 -9.906 1.00 1.04 C ATOM 1910 CD1 TYR A 122 -2.481 -11.291 -10.545 1.00 2.57 C ATOM 1911 CD2 TYR A 122 -1.848 -8.998 -10.001 1.00 1.68 C ATOM 1912 CE1 TYR A 122 -3.577 -10.819 -11.287 1.00 2.72 C ATOM 1913 CE2 TYR A 122 -2.960 -8.518 -10.720 1.00 1.72 C ATOM 1914 CZ TYR A 122 -3.825 -9.432 -11.365 1.00 1.48 C ATOM 1915 OH TYR A 122 -4.899 -8.973 -12.056 1.00 1.83 O ATOM 0 H TYR A 122 0.891 -10.206 -11.548 1.00 0.97 H new ATOM 0 HA TYR A 122 1.517 -11.739 -9.139 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -0.831 -11.711 -8.436 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -0.140 -10.101 -8.394 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -2.304 -12.353 -10.464 1.00 2.57 H new ATOM 0 HD2 TYR A 122 -1.175 -8.302 -9.521 1.00 1.68 H new ATOM 0 HE1 TYR A 122 -4.227 -11.515 -11.796 1.00 2.72 H new ATOM 0 HE2 TYR A 122 -3.151 -7.457 -10.778 1.00 1.72 H new ATOM 0 HH TYR A 122 -4.924 -7.994 -12.009 1.00 1.83 H new ATOM 1925 N GLN A 123 0.263 -13.798 -10.089 1.00 1.47 N ATOM 1926 CA GLN A 123 -0.110 -15.053 -10.746 1.00 1.72 C ATOM 1927 C GLN A 123 -0.990 -15.900 -9.808 1.00 2.01 C ATOM 1928 O GLN A 123 -1.171 -15.536 -8.651 1.00 2.41 O ATOM 1929 CB GLN A 123 1.187 -15.772 -11.180 1.00 1.96 C ATOM 1930 CG GLN A 123 1.057 -16.659 -12.431 1.00 2.95 C ATOM 1931 CD GLN A 123 0.833 -15.921 -13.759 1.00 3.38 C ATOM 1932 OE1 GLN A 123 0.590 -16.537 -14.781 1.00 4.27 O ATOM 1933 NE2 GLN A 123 0.880 -14.607 -13.849 1.00 4.08 N ATOM 0 H GLN A 123 0.399 -13.902 -9.084 1.00 1.47 H new ATOM 0 HA GLN A 123 -0.710 -14.871 -11.638 1.00 1.72 H new ATOM 0 HB2 GLN A 123 1.955 -15.021 -11.365 1.00 1.96 H new ATOM 0 HB3 GLN A 123 1.536 -16.388 -10.352 1.00 1.96 H new ATOM 0 HG2 GLN A 123 1.961 -17.261 -12.521 1.00 2.95 H new ATOM 0 HG3 GLN A 123 0.228 -17.350 -12.278 1.00 2.95 H new ATOM 0 HE21 GLN A 123 1.080 -14.046 -13.021 1.00 4.08 H new ATOM 0 HE22 GLN A 123 0.716 -14.151 -14.747 1.00 4.08 H new ATOM 1942 N LYS A 124 -1.513 -17.040 -10.268 1.00 1.88 N ATOM 1943 CA LYS A 124 -1.970 -18.113 -9.370 1.00 2.00 C ATOM 1944 C LYS A 124 -0.886 -19.202 -9.266 1.00 2.65 C ATOM 1945 O LYS A 124 -0.373 -19.664 -10.285 1.00 3.05 O ATOM 1946 CB LYS A 124 -3.303 -18.719 -9.865 1.00 1.91 C ATOM 1947 CG LYS A 124 -4.555 -18.140 -9.184 1.00 2.92 C ATOM 1948 CD LYS A 124 -4.995 -16.761 -9.693 1.00 2.24 C ATOM 1949 CE LYS A 124 -6.256 -16.337 -8.927 1.00 3.14 C ATOM 1950 NZ LYS A 124 -6.907 -15.144 -9.505 1.00 3.34 N ATOM 0 H LYS A 124 -1.632 -17.247 -11.260 1.00 1.88 H new ATOM 0 HA LYS A 124 -2.144 -17.689 -8.381 1.00 2.00 H new ATOM 0 HB2 LYS A 124 -3.383 -18.561 -10.940 1.00 1.91 H new ATOM 0 HB3 LYS A 124 -3.281 -19.797 -9.702 1.00 1.91 H new ATOM 0 HG2 LYS A 124 -5.380 -18.840 -9.319 1.00 2.92 H new ATOM 0 HG3 LYS A 124 -4.368 -18.072 -8.112 1.00 2.92 H new ATOM 0 HD2 LYS A 124 -4.199 -16.031 -9.545 1.00 2.24 H new ATOM 0 HD3 LYS A 124 -5.197 -16.799 -10.763 1.00 2.24 H new ATOM 0 HE2 LYS A 124 -6.966 -17.164 -8.920 1.00 3.14 H new ATOM 0 HE3 LYS A 124 -5.993 -16.134 -7.889 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 -7.732 -14.885 -8.927 1.00 3.34 H new ATOM 0 HZ2 LYS A 124 -6.232 -14.353 -9.519 1.00 3.34 H new ATOM 0 HZ3 LYS A 124 -7.216 -15.353 -10.476 1.00 3.34 H new ATOM 2120 N VAL A 135 -2.196 -17.437 -4.486 1.00 2.70 N ATOM 2121 CA VAL A 135 -1.785 -16.418 -5.458 1.00 2.15 C ATOM 2122 C VAL A 135 -0.354 -15.953 -5.172 1.00 1.97 C ATOM 2123 O VAL A 135 0.052 -15.862 -4.014 1.00 2.06 O ATOM 2124 CB VAL A 135 -2.792 -15.245 -5.383 1.00 2.14 C ATOM 2125 CG1 VAL A 135 -2.325 -13.896 -5.944 1.00 2.45 C ATOM 2126 CG2 VAL A 135 -4.093 -15.646 -6.096 1.00 2.54 C ATOM 0 HA VAL A 135 -1.789 -16.830 -6.467 1.00 2.15 H new ATOM 0 HB VAL A 135 -2.924 -15.075 -4.314 1.00 2.14 H new ATOM 0 HG11 VAL A 135 -3.121 -13.160 -5.832 1.00 2.45 H new ATOM 0 HG12 VAL A 135 -1.442 -13.562 -5.399 1.00 2.45 H new ATOM 0 HG13 VAL A 135 -2.080 -14.007 -7.000 1.00 2.45 H new ATOM 0 HG21 VAL A 135 -4.805 -14.822 -6.045 1.00 2.54 H new ATOM 0 HG22 VAL A 135 -3.880 -15.877 -7.140 1.00 2.54 H new ATOM 0 HG23 VAL A 135 -4.519 -16.524 -5.610 1.00 2.54 H new ATOM 2136 N ASP A 136 0.388 -15.646 -6.236 1.00 1.62 N ATOM 2137 CA ASP A 136 1.739 -15.077 -6.203 1.00 1.46 C ATOM 2138 C ASP A 136 1.656 -13.559 -6.442 1.00 1.51 C ATOM 2139 O ASP A 136 0.991 -13.128 -7.377 1.00 1.73 O ATOM 2140 CB ASP A 136 2.604 -15.705 -7.312 1.00 1.61 C ATOM 2141 CG ASP A 136 2.511 -17.231 -7.377 1.00 3.01 C ATOM 2142 OD1 ASP A 136 3.175 -17.912 -6.561 1.00 3.91 O ATOM 2143 OD2 ASP A 136 1.759 -17.724 -8.246 1.00 3.98 O ATOM 0 H ASP A 136 0.051 -15.793 -7.187 1.00 1.62 H new ATOM 0 HA ASP A 136 2.187 -15.283 -5.231 1.00 1.46 H new ATOM 0 HB2 ASP A 136 2.302 -15.290 -8.274 1.00 1.61 H new ATOM 0 HB3 ASP A 136 3.644 -15.420 -7.154 1.00 1.61 H new ATOM 2148 N HIS A 137 2.289 -12.721 -5.616 1.00 1.11 N ATOM 2149 CA HIS A 137 2.297 -11.258 -5.806 1.00 0.96 C ATOM 2150 C HIS A 137 3.573 -10.561 -5.296 1.00 1.13 C ATOM 2151 O HIS A 137 4.146 -10.990 -4.294 1.00 1.28 O ATOM 2152 CB HIS A 137 1.047 -10.666 -5.142 1.00 1.11 C ATOM 2153 CG HIS A 137 0.856 -11.080 -3.703 1.00 1.50 C ATOM 2154 ND1 HIS A 137 1.797 -11.024 -2.699 1.00 2.43 N ATOM 2155 CD2 HIS A 137 -0.263 -11.653 -3.169 1.00 2.05 C ATOM 2156 CE1 HIS A 137 1.241 -11.523 -1.586 1.00 2.68 C ATOM 2157 NE2 HIS A 137 -0.025 -11.909 -1.818 1.00 2.37 N ATOM 0 H HIS A 137 2.811 -13.032 -4.797 1.00 1.11 H new ATOM 0 HA HIS A 137 2.287 -11.073 -6.880 1.00 0.96 H new ATOM 0 HB2 HIS A 137 1.104 -9.579 -5.191 1.00 1.11 H new ATOM 0 HB3 HIS A 137 0.169 -10.966 -5.714 1.00 1.11 H new ATOM 0 HD1 HIS A 137 2.748 -10.666 -2.787 1.00 2.43 H new ATOM 0 HD2 HIS A 137 -1.177 -11.871 -3.702 1.00 2.05 H new ATOM 0 HE1 HIS A 137 1.742 -11.604 -0.633 1.00 2.68 H new ATOM 2166 N THR A 138 3.950 -9.426 -5.909 1.00 0.84 N ATOM 2167 CA THR A 138 5.188 -8.671 -5.608 1.00 0.77 C ATOM 2168 C THR A 138 5.341 -8.216 -4.151 1.00 1.34 C ATOM 2169 O THR A 138 6.464 -8.190 -3.665 1.00 2.97 O ATOM 2170 CB THR A 138 5.317 -7.443 -6.527 1.00 0.88 C ATOM 2171 OG1 THR A 138 4.794 -7.717 -7.808 1.00 1.70 O ATOM 2172 CG2 THR A 138 6.769 -7.009 -6.710 1.00 1.13 C ATOM 0 H THR A 138 3.392 -8.994 -6.646 1.00 0.84 H new ATOM 0 HA THR A 138 5.988 -9.388 -5.791 1.00 0.77 H new ATOM 0 HB THR A 138 4.757 -6.644 -6.041 1.00 0.88 H new ATOM 0 HG1 THR A 138 5.516 -7.682 -8.470 1.00 1.70 H new ATOM 0 HG21 THR A 138 6.809 -6.139 -7.366 1.00 1.13 H new ATOM 0 HG22 THR A 138 7.197 -6.752 -5.741 1.00 1.13 H new ATOM 0 HG23 THR A 138 7.339 -7.825 -7.154 1.00 1.13 H new ATOM 2180 N ALA A 139 4.249 -7.846 -3.463 1.00 0.97 N ATOM 2181 CA ALA A 139 4.241 -7.429 -2.045 1.00 0.87 C ATOM 2182 C ALA A 139 5.035 -6.130 -1.758 1.00 0.96 C ATOM 2183 O ALA A 139 5.560 -5.945 -0.660 1.00 1.51 O ATOM 2184 CB ALA A 139 4.671 -8.604 -1.141 1.00 0.95 C ATOM 0 H ALA A 139 3.321 -7.827 -3.886 1.00 0.97 H new ATOM 0 HA ALA A 139 3.212 -7.164 -1.802 1.00 0.87 H new ATOM 0 HB1 ALA A 139 4.661 -8.284 -0.099 1.00 0.95 H new ATOM 0 HB2 ALA A 139 3.979 -9.436 -1.272 1.00 0.95 H new ATOM 0 HB3 ALA A 139 5.677 -8.923 -1.413 1.00 0.95 H new ATOM 2190 N THR A 140 5.079 -5.190 -2.712 1.00 0.62 N ATOM 2191 CA THR A 140 5.846 -3.932 -2.595 1.00 0.60 C ATOM 2192 C THR A 140 4.951 -2.840 -2.020 1.00 0.72 C ATOM 2193 O THR A 140 3.763 -2.798 -2.348 1.00 1.03 O ATOM 2194 CB THR A 140 6.379 -3.513 -3.971 1.00 0.69 C ATOM 2195 OG1 THR A 140 7.241 -4.530 -4.408 1.00 1.03 O ATOM 2196 CG2 THR A 140 7.185 -2.212 -3.966 1.00 0.79 C ATOM 0 H THR A 140 4.580 -5.278 -3.597 1.00 0.62 H new ATOM 0 HA THR A 140 6.693 -4.086 -1.926 1.00 0.60 H new ATOM 0 HB THR A 140 5.513 -3.352 -4.613 1.00 0.69 H new ATOM 0 HG1 THR A 140 7.601 -4.297 -5.289 1.00 1.03 H new ATOM 0 HG21 THR A 140 7.524 -1.990 -4.978 1.00 0.79 H new ATOM 0 HG22 THR A 140 6.557 -1.397 -3.606 1.00 0.79 H new ATOM 0 HG23 THR A 140 8.049 -2.322 -3.310 1.00 0.79 H new ATOM 2204 N THR A 141 5.527 -1.949 -1.196 1.00 0.53 N ATOM 2205 CA THR A 141 4.877 -0.697 -0.793 1.00 0.53 C ATOM 2206 C THR A 141 5.411 0.468 -1.624 1.00 0.85 C ATOM 2207 O THR A 141 6.608 0.747 -1.661 1.00 0.96 O ATOM 2208 CB THR A 141 4.932 -0.412 0.720 1.00 0.75 C ATOM 2209 OG1 THR A 141 5.957 -1.125 1.376 1.00 1.35 O ATOM 2210 CG2 THR A 141 3.627 -0.832 1.395 1.00 1.49 C ATOM 0 H THR A 141 6.455 -2.079 -0.793 1.00 0.53 H new ATOM 0 HA THR A 141 3.814 -0.818 -1.003 1.00 0.53 H new ATOM 0 HB THR A 141 5.113 0.660 0.804 1.00 0.75 H new ATOM 0 HG1 THR A 141 5.948 -0.906 2.331 1.00 1.35 H new ATOM 0 HG21 THR A 141 3.686 -0.623 2.463 1.00 1.49 H new ATOM 0 HG22 THR A 141 2.797 -0.274 0.961 1.00 1.49 H new ATOM 0 HG23 THR A 141 3.466 -1.899 1.243 1.00 1.49 H new ATOM 2218 N PHE A 142 4.491 1.149 -2.302 1.00 0.66 N ATOM 2219 CA PHE A 142 4.740 2.296 -3.171 1.00 0.67 C ATOM 2220 C PHE A 142 4.376 3.584 -2.431 1.00 1.73 C ATOM 2221 O PHE A 142 3.250 3.690 -1.946 1.00 2.06 O ATOM 2222 CB PHE A 142 3.864 2.149 -4.423 1.00 0.67 C ATOM 2223 CG PHE A 142 4.158 0.919 -5.252 1.00 0.84 C ATOM 2224 CD1 PHE A 142 5.153 0.947 -6.245 1.00 2.11 C ATOM 2225 CD2 PHE A 142 3.454 -0.272 -5.002 1.00 2.12 C ATOM 2226 CE1 PHE A 142 5.470 -0.223 -6.957 1.00 2.13 C ATOM 2227 CE2 PHE A 142 3.762 -1.437 -5.714 1.00 2.04 C ATOM 2228 CZ PHE A 142 4.778 -1.418 -6.688 1.00 0.96 C ATOM 0 H PHE A 142 3.502 0.904 -2.258 1.00 0.66 H new ATOM 0 HA PHE A 142 5.792 2.338 -3.454 1.00 0.67 H new ATOM 0 HB2 PHE A 142 2.818 2.125 -4.118 1.00 0.67 H new ATOM 0 HB3 PHE A 142 3.994 3.033 -5.048 1.00 0.67 H new ATOM 0 HD1 PHE A 142 5.674 1.868 -6.461 1.00 2.11 H new ATOM 0 HD2 PHE A 142 2.672 -0.288 -4.257 1.00 2.12 H new ATOM 0 HE1 PHE A 142 6.244 -0.204 -7.710 1.00 2.13 H new ATOM 0 HE2 PHE A 142 3.220 -2.350 -5.516 1.00 2.04 H new ATOM 0 HZ PHE A 142 5.026 -2.320 -7.228 1.00 0.96 H new ATOM 2238 N VAL A 143 5.283 4.563 -2.362 1.00 0.60 N ATOM 2239 CA VAL A 143 5.035 5.830 -1.657 1.00 0.56 C ATOM 2240 C VAL A 143 4.802 6.919 -2.687 1.00 0.86 C ATOM 2241 O VAL A 143 5.662 7.230 -3.512 1.00 1.03 O ATOM 2242 CB VAL A 143 6.136 6.227 -0.652 1.00 0.58 C ATOM 2243 CG1 VAL A 143 5.711 7.455 0.172 1.00 0.63 C ATOM 2244 CG2 VAL A 143 6.405 5.067 0.313 1.00 0.95 C ATOM 0 H VAL A 143 6.207 4.503 -2.790 1.00 0.60 H new ATOM 0 HA VAL A 143 4.147 5.691 -1.040 1.00 0.56 H new ATOM 0 HB VAL A 143 7.036 6.466 -1.219 1.00 0.58 H new ATOM 0 HG11 VAL A 143 6.504 7.715 0.873 1.00 0.63 H new ATOM 0 HG12 VAL A 143 5.528 8.296 -0.497 1.00 0.63 H new ATOM 0 HG13 VAL A 143 4.800 7.225 0.724 1.00 0.63 H new ATOM 0 HG21 VAL A 143 7.183 5.355 1.020 1.00 0.95 H new ATOM 0 HG22 VAL A 143 5.492 4.827 0.857 1.00 0.95 H new ATOM 0 HG23 VAL A 143 6.732 4.193 -0.251 1.00 0.95 H new ATOM 2254 N VAL A 144 3.591 7.451 -2.635 1.00 0.61 N ATOM 2255 CA VAL A 144 3.077 8.479 -3.541 1.00 0.67 C ATOM 2256 C VAL A 144 2.872 9.779 -2.770 1.00 0.97 C ATOM 2257 O VAL A 144 2.200 9.768 -1.740 1.00 0.92 O ATOM 2258 CB VAL A 144 1.736 8.047 -4.180 1.00 0.68 C ATOM 2259 CG1 VAL A 144 1.142 9.137 -5.094 1.00 1.43 C ATOM 2260 CG2 VAL A 144 1.888 6.753 -4.995 1.00 1.71 C ATOM 0 H VAL A 144 2.907 7.170 -1.933 1.00 0.61 H new ATOM 0 HA VAL A 144 3.806 8.624 -4.339 1.00 0.67 H new ATOM 0 HB VAL A 144 1.055 7.878 -3.346 1.00 0.68 H new ATOM 0 HG11 VAL A 144 0.202 8.784 -5.517 1.00 1.43 H new ATOM 0 HG12 VAL A 144 0.961 10.041 -4.512 1.00 1.43 H new ATOM 0 HG13 VAL A 144 1.842 9.358 -5.899 1.00 1.43 H new ATOM 0 HG21 VAL A 144 0.926 6.481 -5.428 1.00 1.71 H new ATOM 0 HG22 VAL A 144 2.614 6.909 -5.793 1.00 1.71 H new ATOM 0 HG23 VAL A 144 2.232 5.950 -4.343 1.00 1.71 H new ATOM 2270 N LYS A 145 3.406 10.887 -3.295 1.00 0.76 N ATOM 2271 CA LYS A 145 3.025 12.270 -2.965 1.00 0.85 C ATOM 2272 C LYS A 145 3.037 13.117 -4.254 1.00 1.22 C ATOM 2273 O LYS A 145 3.780 12.786 -5.172 1.00 1.44 O ATOM 2274 CB LYS A 145 3.994 12.823 -1.902 1.00 0.83 C ATOM 2275 CG LYS A 145 3.494 14.122 -1.243 1.00 1.08 C ATOM 2276 CD LYS A 145 4.530 14.684 -0.265 1.00 1.22 C ATOM 2277 CE LYS A 145 3.917 15.829 0.553 1.00 1.43 C ATOM 2278 NZ LYS A 145 4.936 16.511 1.385 1.00 1.65 N ATOM 0 H LYS A 145 4.149 10.845 -3.993 1.00 0.76 H new ATOM 0 HA LYS A 145 2.018 12.305 -2.549 1.00 0.85 H new ATOM 0 HB2 LYS A 145 4.147 12.068 -1.131 1.00 0.83 H new ATOM 0 HB3 LYS A 145 4.964 13.008 -2.364 1.00 0.83 H new ATOM 0 HG2 LYS A 145 3.278 14.863 -2.013 1.00 1.08 H new ATOM 0 HG3 LYS A 145 2.560 13.929 -0.715 1.00 1.08 H new ATOM 0 HD2 LYS A 145 4.877 13.895 0.402 1.00 1.22 H new ATOM 0 HD3 LYS A 145 5.401 15.044 -0.813 1.00 1.22 H new ATOM 0 HE2 LYS A 145 3.454 16.550 -0.120 1.00 1.43 H new ATOM 0 HE3 LYS A 145 3.127 15.437 1.193 1.00 1.43 H new ATOM 0 HZ1 LYS A 145 4.468 17.186 2.023 1.00 1.65 H new ATOM 0 HZ2 LYS A 145 5.454 15.806 1.947 1.00 1.65 H new ATOM 0 HZ3 LYS A 145 5.602 17.021 0.770 1.00 1.65 H new ATOM 2292 N GLU A 146 2.208 14.161 -4.381 1.00 1.21 N ATOM 2293 CA GLU A 146 2.138 15.050 -5.563 1.00 1.48 C ATOM 2294 C GLU A 146 1.565 14.341 -6.819 1.00 1.70 C ATOM 2295 O GLU A 146 1.830 14.754 -7.950 1.00 2.16 O ATOM 2296 CB GLU A 146 3.495 15.681 -5.945 1.00 1.67 C ATOM 2297 CG GLU A 146 4.402 16.294 -4.874 1.00 2.19 C ATOM 2298 CD GLU A 146 5.696 16.734 -5.567 1.00 2.49 C ATOM 2299 OE1 GLU A 146 5.675 17.773 -6.276 1.00 2.62 O ATOM 2300 OE2 GLU A 146 6.674 15.957 -5.538 1.00 3.19 O ATOM 0 H GLU A 146 1.548 14.423 -3.649 1.00 1.21 H new ATOM 0 HA GLU A 146 1.459 15.842 -5.248 1.00 1.48 H new ATOM 0 HB2 GLU A 146 4.075 14.911 -6.454 1.00 1.67 H new ATOM 0 HB3 GLU A 146 3.291 16.462 -6.677 1.00 1.67 H new ATOM 0 HG2 GLU A 146 3.913 17.144 -4.398 1.00 2.19 H new ATOM 0 HG3 GLU A 146 4.614 15.568 -4.089 1.00 2.19 H new ATOM 2307 N GLY A 147 0.854 13.217 -6.644 1.00 1.20 N ATOM 2308 CA GLY A 147 0.354 12.392 -7.757 1.00 1.15 C ATOM 2309 C GLY A 147 1.439 11.553 -8.447 1.00 1.13 C ATOM 2310 O GLY A 147 1.242 11.098 -9.573 1.00 1.23 O ATOM 0 H GLY A 147 0.608 12.852 -5.724 1.00 1.20 H new ATOM 0 HA2 GLY A 147 -0.423 11.726 -7.382 1.00 1.15 H new ATOM 0 HA3 GLY A 147 -0.114 13.042 -8.496 1.00 1.15 H new ATOM 2314 N ARG A 148 2.607 11.360 -7.815 1.00 0.99 N ATOM 2315 CA ARG A 148 3.730 10.594 -8.366 1.00 0.99 C ATOM 2316 C ARG A 148 4.452 9.749 -7.310 1.00 1.22 C ATOM 2317 O ARG A 148 4.398 10.044 -6.120 1.00 1.38 O ATOM 2318 CB ARG A 148 4.688 11.553 -9.095 1.00 1.21 C ATOM 2319 CG ARG A 148 5.356 12.526 -8.144 1.00 1.56 C ATOM 2320 CD ARG A 148 6.217 13.545 -8.884 1.00 1.64 C ATOM 2321 NE ARG A 148 5.434 14.741 -9.231 1.00 2.03 N ATOM 2322 CZ ARG A 148 5.726 15.967 -8.815 1.00 2.24 C ATOM 2323 NH1 ARG A 148 6.909 16.306 -8.355 1.00 2.74 N ATOM 2324 NH2 ARG A 148 4.791 16.883 -8.767 1.00 2.66 N ATOM 0 H ARG A 148 2.799 11.741 -6.888 1.00 0.99 H new ATOM 0 HA ARG A 148 3.333 9.874 -9.082 1.00 0.99 H new ATOM 0 HB2 ARG A 148 5.451 10.975 -9.616 1.00 1.21 H new ATOM 0 HB3 ARG A 148 4.136 12.109 -9.853 1.00 1.21 H new ATOM 0 HG2 ARG A 148 4.594 13.047 -7.564 1.00 1.56 H new ATOM 0 HG3 ARG A 148 5.974 11.975 -7.436 1.00 1.56 H new ATOM 0 HD2 ARG A 148 7.066 13.829 -8.262 1.00 1.64 H new ATOM 0 HD3 ARG A 148 6.622 13.095 -9.790 1.00 1.64 H new ATOM 0 HE ARG A 148 4.616 14.621 -9.828 1.00 2.03 H new ATOM 0 HH11 ARG A 148 7.655 15.612 -8.305 1.00 2.74 H new ATOM 0 HH12 ARG A 148 7.082 17.263 -8.048 1.00 2.74 H new ATOM 0 HH21 ARG A 148 3.838 16.654 -9.049 1.00 2.66 H new ATOM 0 HH22 ARG A 148 5.016 17.825 -8.447 1.00 2.66 H new ATOM 2338 N LEU A 149 5.147 8.694 -7.739 1.00 0.78 N ATOM 2339 CA LEU A 149 5.990 7.872 -6.875 1.00 0.63 C ATOM 2340 C LEU A 149 7.167 8.702 -6.363 1.00 0.87 C ATOM 2341 O LEU A 149 8.092 8.994 -7.112 1.00 1.18 O ATOM 2342 CB LEU A 149 6.508 6.633 -7.626 1.00 0.90 C ATOM 2343 CG LEU A 149 5.501 5.515 -7.918 1.00 1.23 C ATOM 2344 CD1 LEU A 149 6.263 4.344 -8.552 1.00 2.38 C ATOM 2345 CD2 LEU A 149 4.864 4.998 -6.627 1.00 2.00 C ATOM 0 H LEU A 149 5.139 8.384 -8.711 1.00 0.78 H new ATOM 0 HA LEU A 149 5.390 7.531 -6.031 1.00 0.63 H new ATOM 0 HB2 LEU A 149 6.928 6.965 -8.576 1.00 0.90 H new ATOM 0 HB3 LEU A 149 7.327 6.206 -7.047 1.00 0.90 H new ATOM 0 HG LEU A 149 4.723 5.907 -8.573 1.00 1.23 H new ATOM 0 HD11 LEU A 149 5.568 3.533 -8.770 1.00 2.38 H new ATOM 0 HD12 LEU A 149 6.736 4.675 -9.477 1.00 2.38 H new ATOM 0 HD13 LEU A 149 7.028 3.990 -7.860 1.00 2.38 H new ATOM 0 HD21 LEU A 149 4.154 4.206 -6.864 1.00 2.00 H new ATOM 0 HD22 LEU A 149 5.640 4.605 -5.970 1.00 2.00 H new ATOM 0 HD23 LEU A 149 4.343 5.814 -6.126 1.00 2.00 H new ATOM 2357 N VAL A 150 7.142 9.031 -5.078 1.00 0.58 N ATOM 2358 CA VAL A 150 8.161 9.840 -4.388 1.00 0.81 C ATOM 2359 C VAL A 150 9.186 8.961 -3.642 1.00 1.08 C ATOM 2360 O VAL A 150 10.235 9.453 -3.223 1.00 1.37 O ATOM 2361 CB VAL A 150 7.442 10.857 -3.463 1.00 1.03 C ATOM 2362 CG1 VAL A 150 6.874 10.232 -2.179 1.00 2.60 C ATOM 2363 CG2 VAL A 150 8.309 12.067 -3.107 1.00 2.16 C ATOM 0 H VAL A 150 6.388 8.735 -4.458 1.00 0.58 H new ATOM 0 HA VAL A 150 8.748 10.395 -5.120 1.00 0.81 H new ATOM 0 HB VAL A 150 6.601 11.203 -4.064 1.00 1.03 H new ATOM 0 HG11 VAL A 150 6.386 11.004 -1.583 1.00 2.60 H new ATOM 0 HG12 VAL A 150 6.148 9.462 -2.440 1.00 2.60 H new ATOM 0 HG13 VAL A 150 7.684 9.786 -1.602 1.00 2.60 H new ATOM 0 HG21 VAL A 150 7.747 12.739 -2.458 1.00 2.16 H new ATOM 0 HG22 VAL A 150 9.208 11.731 -2.590 1.00 2.16 H new ATOM 0 HG23 VAL A 150 8.590 12.594 -4.019 1.00 2.16 H new ATOM 2373 N LEU A 151 8.896 7.654 -3.507 1.00 0.68 N ATOM 2374 CA LEU A 151 9.683 6.652 -2.780 1.00 0.68 C ATOM 2375 C LEU A 151 9.112 5.236 -2.972 1.00 1.11 C ATOM 2376 O LEU A 151 7.913 5.059 -3.201 1.00 1.31 O ATOM 2377 CB LEU A 151 9.746 7.033 -1.280 1.00 0.66 C ATOM 2378 CG LEU A 151 11.147 7.498 -0.840 1.00 0.98 C ATOM 2379 CD1 LEU A 151 11.047 8.498 0.303 1.00 1.15 C ATOM 2380 CD2 LEU A 151 11.998 6.308 -0.406 1.00 1.02 C ATOM 0 H LEU A 151 8.059 7.251 -3.927 1.00 0.68 H new ATOM 0 HA LEU A 151 10.694 6.642 -3.186 1.00 0.68 H new ATOM 0 HB2 LEU A 151 9.026 7.827 -1.081 1.00 0.66 H new ATOM 0 HB3 LEU A 151 9.448 6.174 -0.679 1.00 0.66 H new ATOM 0 HG LEU A 151 11.622 7.981 -1.693 1.00 0.98 H new ATOM 0 HD11 LEU A 151 12.047 8.814 0.599 1.00 1.15 H new ATOM 0 HD12 LEU A 151 10.474 9.366 -0.022 1.00 1.15 H new ATOM 0 HD13 LEU A 151 10.548 8.031 1.152 1.00 1.15 H new ATOM 0 HD21 LEU A 151 12.984 6.658 -0.099 1.00 1.02 H new ATOM 0 HD22 LEU A 151 11.516 5.802 0.430 1.00 1.02 H new ATOM 0 HD23 LEU A 151 12.103 5.613 -1.239 1.00 1.02 H new ATOM 2392 N LEU A 152 9.976 4.229 -2.847 1.00 0.67 N ATOM 2393 CA LEU A 152 9.589 2.822 -2.695 1.00 0.70 C ATOM 2394 C LEU A 152 10.061 2.276 -1.343 1.00 1.27 C ATOM 2395 O LEU A 152 11.114 2.672 -0.842 1.00 1.38 O ATOM 2396 CB LEU A 152 10.202 1.968 -3.824 1.00 0.70 C ATOM 2397 CG LEU A 152 9.786 2.342 -5.257 1.00 0.72 C ATOM 2398 CD1 LEU A 152 10.540 1.451 -6.253 1.00 0.92 C ATOM 2399 CD2 LEU A 152 8.275 2.194 -5.472 1.00 0.97 C ATOM 0 H LEU A 152 10.986 4.369 -2.848 1.00 0.67 H new ATOM 0 HA LEU A 152 8.502 2.767 -2.747 1.00 0.70 H new ATOM 0 HB2 LEU A 152 11.288 2.034 -3.754 1.00 0.70 H new ATOM 0 HB3 LEU A 152 9.934 0.926 -3.650 1.00 0.70 H new ATOM 0 HG LEU A 152 10.040 3.389 -5.419 1.00 0.72 H new ATOM 0 HD11 LEU A 152 10.247 1.713 -7.270 1.00 0.92 H new ATOM 0 HD12 LEU A 152 11.613 1.600 -6.134 1.00 0.92 H new ATOM 0 HD13 LEU A 152 10.296 0.406 -6.064 1.00 0.92 H new ATOM 0 HD21 LEU A 152 8.025 2.468 -6.497 1.00 0.97 H new ATOM 0 HD22 LEU A 152 7.981 1.160 -5.291 1.00 0.97 H new ATOM 0 HD23 LEU A 152 7.743 2.848 -4.781 1.00 0.97 H new ATOM 2411 N TYR A 153 9.317 1.306 -0.813 1.00 0.84 N ATOM 2412 CA TYR A 153 9.712 0.470 0.315 1.00 0.83 C ATOM 2413 C TYR A 153 9.578 -1.030 -0.010 1.00 1.17 C ATOM 2414 O TYR A 153 8.525 -1.535 -0.402 1.00 1.45 O ATOM 2415 CB TYR A 153 8.851 0.792 1.550 1.00 0.76 C ATOM 2416 CG TYR A 153 9.117 2.078 2.321 1.00 1.10 C ATOM 2417 CD1 TYR A 153 10.426 2.571 2.484 1.00 1.72 C ATOM 2418 CD2 TYR A 153 8.047 2.730 2.969 1.00 2.28 C ATOM 2419 CE1 TYR A 153 10.670 3.714 3.272 1.00 1.84 C ATOM 2420 CE2 TYR A 153 8.282 3.860 3.774 1.00 2.70 C ATOM 2421 CZ TYR A 153 9.597 4.355 3.925 1.00 1.96 C ATOM 2422 OH TYR A 153 9.834 5.442 4.697 1.00 2.51 O ATOM 0 H TYR A 153 8.391 1.074 -1.171 1.00 0.84 H new ATOM 0 HA TYR A 153 10.759 0.688 0.523 1.00 0.83 H new ATOM 0 HB2 TYR A 153 7.809 0.810 1.229 1.00 0.76 H new ATOM 0 HB3 TYR A 153 8.955 -0.038 2.249 1.00 0.76 H new ATOM 0 HD1 TYR A 153 11.251 2.069 2.001 1.00 1.72 H new ATOM 0 HD2 TYR A 153 7.040 2.359 2.846 1.00 2.28 H new ATOM 0 HE1 TYR A 153 11.674 4.097 3.375 1.00 1.84 H new ATOM 0 HE2 TYR A 153 7.459 4.348 4.275 1.00 2.70 H new ATOM 0 HH TYR A 153 10.776 5.701 4.617 1.00 2.51 H new ATOM 2432 N SER A 154 10.654 -1.777 0.235 1.00 1.20 N ATOM 2433 CA SER A 154 10.576 -3.204 0.568 1.00 1.26 C ATOM 2434 C SER A 154 9.982 -3.387 1.977 1.00 1.35 C ATOM 2435 O SER A 154 10.054 -2.444 2.776 1.00 1.50 O ATOM 2436 CB SER A 154 11.989 -3.805 0.586 1.00 1.60 C ATOM 2437 OG SER A 154 12.754 -3.443 -0.550 1.00 2.06 O ATOM 0 H SER A 154 11.606 -1.412 0.209 1.00 1.20 H new ATOM 0 HA SER A 154 9.951 -3.696 -0.177 1.00 1.26 H new ATOM 0 HB2 SER A 154 12.507 -3.477 1.487 1.00 1.60 H new ATOM 0 HB3 SER A 154 11.916 -4.891 0.638 1.00 1.60 H new ATOM 0 HG SER A 154 13.644 -3.849 -0.488 1.00 2.06 H new ATOM 2443 N PRO A 155 9.493 -4.584 2.355 1.00 1.26 N ATOM 2444 CA PRO A 155 9.188 -4.871 3.752 1.00 1.50 C ATOM 2445 C PRO A 155 10.419 -4.641 4.650 1.00 1.89 C ATOM 2446 O PRO A 155 10.296 -3.967 5.667 1.00 1.86 O ATOM 2447 CB PRO A 155 8.629 -6.298 3.788 1.00 1.70 C ATOM 2448 CG PRO A 155 9.040 -6.921 2.450 1.00 1.52 C ATOM 2449 CD PRO A 155 9.188 -5.727 1.508 1.00 1.32 C ATOM 0 HA PRO A 155 8.440 -4.191 4.161 1.00 1.50 H new ATOM 0 HB2 PRO A 155 9.038 -6.861 4.627 1.00 1.70 H new ATOM 0 HB3 PRO A 155 7.545 -6.294 3.905 1.00 1.70 H new ATOM 0 HG2 PRO A 155 9.974 -7.475 2.539 1.00 1.52 H new ATOM 0 HG3 PRO A 155 8.287 -7.622 2.089 1.00 1.52 H new ATOM 0 HD2 PRO A 155 9.983 -5.898 0.783 1.00 1.32 H new ATOM 0 HD3 PRO A 155 8.271 -5.560 0.942 1.00 1.32 H new ATOM 2457 N ASP A 156 11.634 -5.047 4.248 1.00 1.84 N ATOM 2458 CA ASP A 156 12.843 -4.795 5.059 1.00 2.16 C ATOM 2459 C ASP A 156 13.206 -3.299 5.241 1.00 2.25 C ATOM 2460 O ASP A 156 14.002 -2.931 6.106 1.00 2.72 O ATOM 2461 CB ASP A 156 14.024 -5.611 4.497 1.00 2.48 C ATOM 2462 CG ASP A 156 14.936 -4.801 3.568 1.00 3.11 C ATOM 2463 OD1 ASP A 156 14.483 -4.330 2.495 1.00 3.03 O ATOM 2464 OD2 ASP A 156 16.111 -4.577 3.936 1.00 4.54 O ATOM 0 H ASP A 156 11.808 -5.546 3.376 1.00 1.84 H new ATOM 0 HA ASP A 156 12.612 -5.132 6.070 1.00 2.16 H new ATOM 0 HB2 ASP A 156 14.615 -5.999 5.326 1.00 2.48 H new ATOM 0 HB3 ASP A 156 13.635 -6.471 3.953 1.00 2.48 H new ATOM 2469 N LYS A 157 12.593 -2.412 4.447 1.00 1.86 N ATOM 2470 CA LYS A 157 12.566 -0.978 4.696 1.00 1.86 C ATOM 2471 C LYS A 157 11.381 -0.620 5.611 1.00 1.78 C ATOM 2472 O LYS A 157 11.607 -0.088 6.697 1.00 1.75 O ATOM 2473 CB LYS A 157 12.512 -0.200 3.366 1.00 1.89 C ATOM 2474 CG LYS A 157 13.624 -0.486 2.343 1.00 2.29 C ATOM 2475 CD LYS A 157 15.022 -0.023 2.786 1.00 2.85 C ATOM 2476 CE LYS A 157 15.810 -1.067 3.585 1.00 3.10 C ATOM 2477 NZ LYS A 157 16.244 -2.205 2.742 1.00 3.34 N ATOM 0 H LYS A 157 12.095 -2.683 3.599 1.00 1.86 H new ATOM 0 HA LYS A 157 13.483 -0.689 5.209 1.00 1.86 H new ATOM 0 HB2 LYS A 157 11.553 -0.408 2.891 1.00 1.89 H new ATOM 0 HB3 LYS A 157 12.529 0.865 3.596 1.00 1.89 H new ATOM 0 HG2 LYS A 157 13.654 -1.558 2.146 1.00 2.29 H new ATOM 0 HG3 LYS A 157 13.372 0.004 1.403 1.00 2.29 H new ATOM 0 HD2 LYS A 157 15.598 0.251 1.902 1.00 2.85 H new ATOM 0 HD3 LYS A 157 14.919 0.878 3.391 1.00 2.85 H new ATOM 0 HE2 LYS A 157 16.684 -0.595 4.034 1.00 3.10 H new ATOM 0 HE3 LYS A 157 15.193 -1.438 4.403 1.00 3.10 H new ATOM 0 HZ1 LYS A 157 16.621 -2.962 3.348 1.00 3.34 H new ATOM 0 HZ2 LYS A 157 15.432 -2.566 2.202 1.00 3.34 H new ATOM 0 HZ3 LYS A 157 16.984 -1.887 2.084 1.00 3.34 H new ATOM 2491 N ALA A 158 10.143 -0.909 5.192 1.00 1.47 N ATOM 2492 CA ALA A 158 8.899 -0.454 5.826 1.00 1.33 C ATOM 2493 C ALA A 158 8.710 -0.934 7.272 1.00 1.43 C ATOM 2494 O ALA A 158 8.187 -0.182 8.091 1.00 1.46 O ATOM 2495 CB ALA A 158 7.715 -0.936 4.976 1.00 1.21 C ATOM 0 H ALA A 158 9.973 -1.489 4.370 1.00 1.47 H new ATOM 0 HA ALA A 158 8.954 0.633 5.877 1.00 1.33 H new ATOM 0 HB1 ALA A 158 6.782 -0.607 5.432 1.00 1.21 H new ATOM 0 HB2 ALA A 158 7.795 -0.520 3.972 1.00 1.21 H new ATOM 0 HB3 ALA A 158 7.727 -2.024 4.919 1.00 1.21 H new ATOM 2501 N GLU A 159 9.124 -2.162 7.598 1.00 1.26 N ATOM 2502 CA GLU A 159 8.830 -2.739 8.915 1.00 1.20 C ATOM 2503 C GLU A 159 9.630 -2.074 10.051 1.00 1.41 C ATOM 2504 O GLU A 159 9.211 -2.090 11.212 1.00 1.57 O ATOM 2505 CB GLU A 159 8.927 -4.270 8.876 1.00 1.23 C ATOM 2506 CG GLU A 159 7.938 -4.793 7.815 1.00 1.63 C ATOM 2507 CD GLU A 159 7.521 -6.249 7.920 1.00 1.85 C ATOM 2508 OE1 GLU A 159 7.706 -6.865 8.993 1.00 2.27 O ATOM 2509 OE2 GLU A 159 6.913 -6.712 6.931 1.00 2.77 O ATOM 0 H GLU A 159 9.658 -2.770 6.977 1.00 1.26 H new ATOM 0 HA GLU A 159 7.793 -2.510 9.160 1.00 1.20 H new ATOM 0 HB2 GLU A 159 9.943 -4.580 8.632 1.00 1.23 H new ATOM 0 HB3 GLU A 159 8.691 -4.690 9.854 1.00 1.23 H new ATOM 0 HG2 GLU A 159 7.038 -4.179 7.859 1.00 1.63 H new ATOM 0 HG3 GLU A 159 8.382 -4.638 6.832 1.00 1.63 H new ATOM 2516 N ALA A 160 10.722 -1.374 9.711 1.00 1.14 N ATOM 2517 CA ALA A 160 11.460 -0.498 10.619 1.00 1.12 C ATOM 2518 C ALA A 160 10.682 0.806 10.903 1.00 1.33 C ATOM 2519 O ALA A 160 11.110 1.895 10.512 1.00 1.38 O ATOM 2520 CB ALA A 160 12.874 -0.262 10.057 1.00 1.19 C ATOM 0 H ALA A 160 11.122 -1.405 8.773 1.00 1.14 H new ATOM 0 HA ALA A 160 11.569 -0.980 11.591 1.00 1.12 H new ATOM 0 HB1 ALA A 160 13.429 0.391 10.731 1.00 1.19 H new ATOM 0 HB2 ALA A 160 13.393 -1.216 9.967 1.00 1.19 H new ATOM 0 HB3 ALA A 160 12.802 0.206 9.075 1.00 1.19 H new ATOM 2526 N THR A 161 9.562 0.683 11.628 1.00 1.05 N ATOM 2527 CA THR A 161 8.654 1.759 12.080 1.00 1.08 C ATOM 2528 C THR A 161 9.375 3.066 12.379 1.00 1.21 C ATOM 2529 O THR A 161 9.112 4.094 11.766 1.00 1.50 O ATOM 2530 CB THR A 161 7.924 1.298 13.351 1.00 1.04 C ATOM 2531 OG1 THR A 161 6.979 0.319 13.010 1.00 1.17 O ATOM 2532 CG2 THR A 161 7.164 2.426 14.050 1.00 1.18 C ATOM 0 H THR A 161 9.239 -0.233 11.939 1.00 1.05 H new ATOM 0 HA THR A 161 7.958 1.951 11.264 1.00 1.08 H new ATOM 0 HB THR A 161 8.692 0.923 14.028 1.00 1.04 H new ATOM 0 HG1 THR A 161 6.203 0.746 12.590 1.00 1.17 H new ATOM 0 HG21 THR A 161 6.670 2.035 14.940 1.00 1.18 H new ATOM 0 HG22 THR A 161 7.863 3.212 14.338 1.00 1.18 H new ATOM 0 HG23 THR A 161 6.416 2.836 13.371 1.00 1.18 H new ATOM 2540 N ASP A 162 10.287 3.032 13.343 1.00 1.17 N ATOM 2541 CA ASP A 162 10.946 4.225 13.867 1.00 1.34 C ATOM 2542 C ASP A 162 11.960 4.831 12.875 1.00 1.62 C ATOM 2543 O ASP A 162 12.292 6.014 12.966 1.00 1.80 O ATOM 2544 CB ASP A 162 11.520 3.866 15.247 1.00 1.51 C ATOM 2545 CG ASP A 162 10.389 3.542 16.243 1.00 2.23 C ATOM 2546 OD1 ASP A 162 9.849 2.408 16.226 1.00 2.83 O ATOM 2547 OD2 ASP A 162 10.003 4.457 17.002 1.00 3.22 O ATOM 0 H ASP A 162 10.594 2.167 13.788 1.00 1.17 H new ATOM 0 HA ASP A 162 10.230 5.037 13.996 1.00 1.34 H new ATOM 0 HB2 ASP A 162 12.187 3.009 15.156 1.00 1.51 H new ATOM 0 HB3 ASP A 162 12.117 4.696 15.625 1.00 1.51 H new ATOM 2552 N ARG A 163 12.405 4.047 11.880 1.00 1.45 N ATOM 2553 CA ARG A 163 13.049 4.561 10.660 1.00 1.59 C ATOM 2554 C ARG A 163 12.036 5.227 9.717 1.00 1.66 C ATOM 2555 O ARG A 163 12.318 6.331 9.259 1.00 1.97 O ATOM 2556 CB ARG A 163 13.864 3.476 9.927 1.00 1.63 C ATOM 2557 CG ARG A 163 14.840 2.682 10.814 1.00 1.76 C ATOM 2558 CD ARG A 163 15.952 3.534 11.428 1.00 2.02 C ATOM 2559 NE ARG A 163 17.119 3.683 10.526 1.00 1.96 N ATOM 2560 CZ ARG A 163 18.214 2.922 10.541 1.00 2.42 C ATOM 2561 NH1 ARG A 163 18.366 1.953 11.418 1.00 3.46 N ATOM 2562 NH2 ARG A 163 19.169 3.117 9.654 1.00 3.31 N ATOM 0 H ARG A 163 12.327 3.030 11.900 1.00 1.45 H new ATOM 0 HA ARG A 163 13.753 5.328 10.983 1.00 1.59 H new ATOM 0 HB2 ARG A 163 13.171 2.776 9.460 1.00 1.63 H new ATOM 0 HB3 ARG A 163 14.430 3.949 9.124 1.00 1.63 H new ATOM 0 HG2 ARG A 163 14.279 2.202 11.616 1.00 1.76 H new ATOM 0 HG3 ARG A 163 15.291 1.887 10.220 1.00 1.76 H new ATOM 0 HD2 ARG A 163 15.557 4.520 11.671 1.00 2.02 H new ATOM 0 HD3 ARG A 163 16.277 3.081 12.365 1.00 2.02 H new ATOM 0 HE ARG A 163 17.081 4.432 9.835 1.00 1.96 H new ATOM 0 HH11 ARG A 163 17.637 1.770 12.107 1.00 3.46 H new ATOM 0 HH12 ARG A 163 19.213 1.385 11.409 1.00 3.46 H new ATOM 0 HH21 ARG A 163 19.072 3.852 8.953 1.00 3.31 H new ATOM 0 HH22 ARG A 163 20.005 2.533 9.668 1.00 3.31 H new ATOM 2576 N VAL A 164 10.856 4.632 9.478 1.00 1.47 N ATOM 2577 CA VAL A 164 9.802 5.226 8.615 1.00 1.46 C ATOM 2578 C VAL A 164 9.434 6.645 9.070 1.00 1.64 C ATOM 2579 O VAL A 164 9.329 7.529 8.230 1.00 1.73 O ATOM 2580 CB VAL A 164 8.517 4.359 8.500 1.00 1.46 C ATOM 2581 CG1 VAL A 164 7.411 5.034 7.666 1.00 1.55 C ATOM 2582 CG2 VAL A 164 8.794 2.987 7.879 1.00 1.51 C ATOM 0 H VAL A 164 10.599 3.727 9.873 1.00 1.47 H new ATOM 0 HA VAL A 164 10.245 5.267 7.620 1.00 1.46 H new ATOM 0 HB VAL A 164 8.175 4.241 9.528 1.00 1.46 H new ATOM 0 HG11 VAL A 164 6.539 4.381 7.621 1.00 1.55 H new ATOM 0 HG12 VAL A 164 7.132 5.980 8.129 1.00 1.55 H new ATOM 0 HG13 VAL A 164 7.778 5.219 6.656 1.00 1.55 H new ATOM 0 HG21 VAL A 164 7.865 2.420 7.821 1.00 1.51 H new ATOM 0 HG22 VAL A 164 9.203 3.117 6.877 1.00 1.51 H new ATOM 0 HG23 VAL A 164 9.511 2.446 8.497 1.00 1.51 H new ATOM 2592 N VAL A 165 9.307 6.900 10.379 1.00 1.49 N ATOM 2593 CA VAL A 165 8.912 8.238 10.881 1.00 1.46 C ATOM 2594 C VAL A 165 9.941 9.336 10.546 1.00 1.64 C ATOM 2595 O VAL A 165 9.566 10.491 10.373 1.00 1.89 O ATOM 2596 CB VAL A 165 8.591 8.234 12.395 1.00 1.52 C ATOM 2597 CG1 VAL A 165 8.059 9.593 12.904 1.00 1.69 C ATOM 2598 CG2 VAL A 165 7.529 7.169 12.714 1.00 1.46 C ATOM 0 H VAL A 165 9.469 6.208 11.111 1.00 1.49 H new ATOM 0 HA VAL A 165 7.994 8.482 10.347 1.00 1.46 H new ATOM 0 HB VAL A 165 9.534 8.019 12.898 1.00 1.52 H new ATOM 0 HG11 VAL A 165 7.853 9.526 13.972 1.00 1.69 H new ATOM 0 HG12 VAL A 165 8.807 10.366 12.727 1.00 1.69 H new ATOM 0 HG13 VAL A 165 7.142 9.847 12.372 1.00 1.69 H new ATOM 0 HG21 VAL A 165 7.314 7.178 13.783 1.00 1.46 H new ATOM 0 HG22 VAL A 165 6.617 7.387 12.158 1.00 1.46 H new ATOM 0 HG23 VAL A 165 7.902 6.186 12.428 1.00 1.46 H new ATOM 2608 N ALA A 166 11.227 8.997 10.422 1.00 1.46 N ATOM 2609 CA ALA A 166 12.264 9.927 9.948 1.00 1.44 C ATOM 2610 C ALA A 166 12.152 10.231 8.439 1.00 1.54 C ATOM 2611 O ALA A 166 12.420 11.357 8.032 1.00 1.65 O ATOM 2612 CB ALA A 166 13.627 9.323 10.313 1.00 1.42 C ATOM 0 H ALA A 166 11.583 8.068 10.647 1.00 1.46 H new ATOM 0 HA ALA A 166 12.135 10.893 10.435 1.00 1.44 H new ATOM 0 HB1 ALA A 166 14.422 9.988 9.975 1.00 1.42 H new ATOM 0 HB2 ALA A 166 13.692 9.199 11.394 1.00 1.42 H new ATOM 0 HB3 ALA A 166 13.736 8.352 9.829 1.00 1.42 H new ATOM 2618 N ASP A 167 11.730 9.267 7.623 1.00 1.44 N ATOM 2619 CA ASP A 167 11.376 9.490 6.214 1.00 1.52 C ATOM 2620 C ASP A 167 10.116 10.374 6.112 1.00 1.97 C ATOM 2621 O ASP A 167 10.090 11.333 5.348 1.00 1.98 O ATOM 2622 CB ASP A 167 11.145 8.122 5.545 1.00 1.62 C ATOM 2623 CG ASP A 167 11.718 7.972 4.134 1.00 1.77 C ATOM 2624 OD1 ASP A 167 11.698 8.947 3.352 1.00 2.96 O ATOM 2625 OD2 ASP A 167 12.180 6.843 3.832 1.00 1.78 O ATOM 0 H ASP A 167 11.622 8.297 7.920 1.00 1.44 H new ATOM 0 HA ASP A 167 12.186 10.011 5.703 1.00 1.52 H new ATOM 0 HB2 ASP A 167 11.580 7.349 6.179 1.00 1.62 H new ATOM 0 HB3 ASP A 167 10.072 7.934 5.504 1.00 1.62 H new ATOM 2630 N LEU A 168 9.094 10.114 6.945 1.00 1.74 N ATOM 2631 CA LEU A 168 7.860 10.914 7.025 1.00 1.87 C ATOM 2632 C LEU A 168 8.110 12.361 7.462 1.00 2.13 C ATOM 2633 O LEU A 168 7.353 13.254 7.091 1.00 2.31 O ATOM 2634 CB LEU A 168 6.848 10.251 7.977 1.00 2.02 C ATOM 2635 CG LEU A 168 6.271 8.908 7.482 1.00 1.94 C ATOM 2636 CD1 LEU A 168 5.372 8.310 8.574 1.00 2.47 C ATOM 2637 CD2 LEU A 168 5.473 9.078 6.182 1.00 2.24 C ATOM 0 H LEU A 168 9.103 9.327 7.594 1.00 1.74 H new ATOM 0 HA LEU A 168 7.451 10.949 6.015 1.00 1.87 H new ATOM 0 HB2 LEU A 168 7.331 10.089 8.941 1.00 2.02 H new ATOM 0 HB3 LEU A 168 6.023 10.943 8.146 1.00 2.02 H new ATOM 0 HG LEU A 168 7.103 8.235 7.272 1.00 1.94 H new ATOM 0 HD11 LEU A 168 4.962 7.361 8.228 1.00 2.47 H new ATOM 0 HD12 LEU A 168 5.958 8.144 9.478 1.00 2.47 H new ATOM 0 HD13 LEU A 168 4.556 9.000 8.792 1.00 2.47 H new ATOM 0 HD21 LEU A 168 5.083 8.111 5.865 1.00 2.24 H new ATOM 0 HD22 LEU A 168 4.644 9.766 6.351 1.00 2.24 H new ATOM 0 HD23 LEU A 168 6.124 9.479 5.405 1.00 2.24 H new ATOM 2649 N GLN A 169 9.166 12.591 8.240 1.00 1.73 N ATOM 2650 CA GLN A 169 9.655 13.919 8.625 1.00 1.72 C ATOM 2651 C GLN A 169 10.227 14.664 7.409 1.00 1.80 C ATOM 2652 O GLN A 169 9.942 15.843 7.218 1.00 1.80 O ATOM 2653 CB GLN A 169 10.699 13.732 9.745 1.00 1.73 C ATOM 2654 CG GLN A 169 10.083 13.474 11.129 1.00 1.95 C ATOM 2655 CD GLN A 169 10.188 14.676 12.067 1.00 2.32 C ATOM 2656 OE1 GLN A 169 11.268 15.089 12.469 1.00 3.50 O ATOM 2657 NE2 GLN A 169 9.086 15.259 12.492 1.00 2.96 N ATOM 0 H GLN A 169 9.725 11.835 8.634 1.00 1.73 H new ATOM 0 HA GLN A 169 8.839 14.537 8.999 1.00 1.72 H new ATOM 0 HB2 GLN A 169 11.351 12.897 9.486 1.00 1.73 H new ATOM 0 HB3 GLN A 169 11.326 14.622 9.797 1.00 1.73 H new ATOM 0 HG2 GLN A 169 9.033 13.206 11.008 1.00 1.95 H new ATOM 0 HG3 GLN A 169 10.580 12.619 11.587 1.00 1.95 H new ATOM 0 HE21 GLN A 169 8.177 14.929 12.168 1.00 2.96 H new ATOM 0 HE22 GLN A 169 9.142 16.041 13.145 1.00 2.96 H new ATOM 2666 N ALA A 170 11.016 13.984 6.573 1.00 1.53 N ATOM 2667 CA ALA A 170 11.521 14.495 5.295 1.00 1.45 C ATOM 2668 C ALA A 170 10.467 14.556 4.162 1.00 1.43 C ATOM 2669 O ALA A 170 10.701 15.203 3.138 1.00 1.57 O ATOM 2670 CB ALA A 170 12.761 13.676 4.934 1.00 1.58 C ATOM 0 H ALA A 170 11.331 13.034 6.772 1.00 1.53 H new ATOM 0 HA ALA A 170 11.787 15.545 5.414 1.00 1.45 H new ATOM 0 HB1 ALA A 170 13.166 14.028 3.986 1.00 1.58 H new ATOM 0 HB2 ALA A 170 13.513 13.791 5.715 1.00 1.58 H new ATOM 0 HB3 ALA A 170 12.489 12.624 4.844 1.00 1.58 H new ATOM 2676 N LEU A 171 9.337 13.849 4.306 1.00 1.30 N ATOM 2677 CA LEU A 171 8.194 13.801 3.385 1.00 1.38 C ATOM 2678 C LEU A 171 7.020 14.706 3.815 1.00 1.77 C ATOM 2679 O LEU A 171 5.967 14.642 3.173 1.00 2.02 O ATOM 2680 CB LEU A 171 7.731 12.334 3.242 1.00 1.55 C ATOM 2681 CG LEU A 171 8.639 11.428 2.389 1.00 1.33 C ATOM 2682 CD1 LEU A 171 8.230 9.962 2.602 1.00 1.68 C ATOM 2683 CD2 LEU A 171 8.495 11.790 0.901 1.00 1.73 C ATOM 0 H LEU A 171 9.188 13.257 5.123 1.00 1.30 H new ATOM 0 HA LEU A 171 8.527 14.192 2.424 1.00 1.38 H new ATOM 0 HB2 LEU A 171 7.648 11.900 4.238 1.00 1.55 H new ATOM 0 HB3 LEU A 171 6.731 12.328 2.807 1.00 1.55 H new ATOM 0 HG LEU A 171 9.677 11.571 2.690 1.00 1.33 H new ATOM 0 HD11 LEU A 171 8.869 9.315 2.001 1.00 1.68 H new ATOM 0 HD12 LEU A 171 8.339 9.703 3.655 1.00 1.68 H new ATOM 0 HD13 LEU A 171 7.191 9.827 2.301 1.00 1.68 H new ATOM 0 HD21 LEU A 171 9.141 11.145 0.305 1.00 1.73 H new ATOM 0 HD22 LEU A 171 7.459 11.652 0.592 1.00 1.73 H new ATOM 0 HD23 LEU A 171 8.783 12.830 0.750 1.00 1.73 H new ATOM 2695 N LEU A 172 7.181 15.545 4.847 1.00 1.54 N ATOM 2696 CA LEU A 172 6.264 16.650 5.186 1.00 1.87 C ATOM 2697 C LEU A 172 5.905 17.519 3.972 1.00 1.99 C ATOM 2698 O LEU A 172 4.691 17.797 3.832 1.00 2.05 O ATOM 2699 CB LEU A 172 6.876 17.483 6.335 1.00 2.46 C ATOM 2700 CG LEU A 172 6.864 16.816 7.719 1.00 2.34 C ATOM 2701 CD1 LEU A 172 7.577 17.718 8.727 1.00 3.17 C ATOM 2702 CD2 LEU A 172 5.443 16.578 8.238 1.00 2.52 C ATOM 2703 OXT LEU A 172 6.752 17.758 3.091 1.00 2.77 O ATOM 0 H LEU A 172 7.972 15.475 5.488 1.00 1.54 H new ATOM 0 HA LEU A 172 5.319 16.221 5.520 1.00 1.87 H new ATOM 0 HB2 LEU A 172 7.907 17.723 6.076 1.00 2.46 H new ATOM 0 HB3 LEU A 172 6.336 18.428 6.402 1.00 2.46 H new ATOM 0 HG LEU A 172 7.366 15.855 7.611 1.00 2.34 H new ATOM 0 HD11 LEU A 172 7.568 17.245 9.709 1.00 3.17 H new ATOM 0 HD12 LEU A 172 8.608 17.875 8.409 1.00 3.17 H new ATOM 0 HD13 LEU A 172 7.064 18.678 8.783 1.00 3.17 H new ATOM 0 HD21 LEU A 172 5.488 16.105 9.219 1.00 2.52 H new ATOM 0 HD22 LEU A 172 4.921 17.531 8.319 1.00 2.52 H new ATOM 0 HD23 LEU A 172 4.907 15.928 7.546 1.00 2.52 H new