USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -0.807 K(o=-0.81,f=-4.4!) USER MOD Set 1.2: A 108 GLN : amide:sc= 0 K(o=-0.81,f=-2) USER MOD Set 2.1: A 45 SER OG : rot 120:sc= -4.94! USER MOD Set 2.2: A 95 ASN : amide:sc= -12.6! C(o=-18!,f=-31!) USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0 F(o=-2.3,f=-0.99) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -0.985 F(o=-3.1!,f=-0.99) USER MOD Set 4.1: A 34 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.9!) USER MOD Set 4.2: A 36 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.39! X(o=-1.4!,f=-0.96) USER MOD Single : A 48 THR OG1 : rot -22:sc= -1.5! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -135:sc= -0.499 (180deg=-2.32!) USER MOD Single : A 59 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.032) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.923 K(o=-0.92,f=-3.2!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -7.73! C(o=-11!,f=-7.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 45:sc= 0.015 USER MOD Single : A 78 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.083) USER MOD Single : A 80 ASN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -120:sc= -2.4 USER MOD Single : A 88 SER OG : rot -94:sc= 1.17 USER MOD Single : A 92 MET CE :methyl -137:sc= -7.97! (180deg=-13.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -162:sc= 1.09 USER MOD Single : A 103 SER OG : rot 75:sc= -0.386 USER MOD Single : A 106 SER OG : rot 100:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.590 -11.220 -6.894 1.00 0.00 N ATOM 133 CA VAL A 13 -27.332 -9.792 -6.833 1.00 0.00 C ATOM 134 C VAL A 13 -25.840 -9.558 -6.586 1.00 0.00 C ATOM 135 O VAL A 13 -25.253 -10.164 -5.691 1.00 0.00 O ATOM 136 CB VAL A 13 -28.223 -9.144 -5.772 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.412 -7.651 -6.052 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.571 -9.860 -5.676 1.00 0.00 C ATOM 0 HA VAL A 13 -27.583 -9.318 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.723 -9.243 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.049 -7.214 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.442 -7.154 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.879 -7.520 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.185 -9.379 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.080 -9.808 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.410 -10.904 -5.407 1.00 0.00 H new ATOM 148 N TYR A 14 -25.270 -8.676 -7.394 1.00 0.00 N ATOM 149 CA TYR A 14 -23.858 -8.355 -7.274 1.00 0.00 C ATOM 150 C TYR A 14 -23.660 -6.881 -6.913 1.00 0.00 C ATOM 151 O TYR A 14 -24.605 -6.205 -6.508 1.00 0.00 O ATOM 152 CB TYR A 14 -23.247 -8.616 -8.652 1.00 0.00 C ATOM 153 CG TYR A 14 -23.716 -9.918 -9.304 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.872 -9.936 -10.057 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.982 -11.076 -9.138 1.00 0.00 C ATOM 156 CE1 TYR A 14 -25.313 -11.162 -10.670 1.00 0.00 C ATOM 157 CE2 TYR A 14 -23.423 -12.302 -9.752 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.567 -12.284 -10.487 1.00 0.00 C ATOM 159 OH TYR A 14 -24.984 -13.442 -11.066 1.00 0.00 O ATOM 0 H TYR A 14 -25.760 -8.174 -8.134 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.394 -8.954 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.492 -7.783 -9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.161 -8.639 -8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.446 -9.030 -10.187 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -22.078 -11.062 -8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -26.216 -11.190 -11.262 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.858 -13.215 -9.631 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.353 -14.161 -10.851 1.00 0.00 H new ATOM 169 N ASP A 15 -22.426 -6.426 -7.073 1.00 0.00 N ATOM 170 CA ASP A 15 -22.092 -5.045 -6.768 1.00 0.00 C ATOM 171 C ASP A 15 -20.591 -4.937 -6.492 1.00 0.00 C ATOM 172 O ASP A 15 -20.184 -4.430 -5.448 1.00 0.00 O ATOM 173 CB ASP A 15 -22.838 -4.559 -5.524 1.00 0.00 C ATOM 174 CG ASP A 15 -24.120 -3.773 -5.805 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.230 -3.252 -6.936 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.961 -3.710 -4.882 1.00 0.00 O ATOM 0 H ASP A 15 -21.645 -6.989 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.379 -4.432 -7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.087 -5.423 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.166 -3.932 -4.938 1.00 0.00 H new ATOM 181 N VAL A 16 -19.810 -5.421 -7.446 1.00 0.00 N ATOM 182 CA VAL A 16 -18.363 -5.385 -7.319 1.00 0.00 C ATOM 183 C VAL A 16 -17.961 -5.948 -5.954 1.00 0.00 C ATOM 184 O VAL A 16 -18.786 -6.030 -5.045 1.00 0.00 O ATOM 185 CB VAL A 16 -17.852 -3.962 -7.552 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.144 -3.502 -8.982 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.449 -2.991 -6.531 1.00 0.00 C ATOM 0 H VAL A 16 -20.152 -5.840 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.898 -6.012 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.771 -3.968 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.771 -2.487 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.650 -4.170 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.220 -3.520 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.069 -1.987 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.535 -2.991 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.168 -3.303 -5.525 1.00 0.00 H new ATOM 197 N PRO A 17 -16.660 -6.331 -5.850 1.00 0.00 N ATOM 198 CA PRO A 17 -16.139 -6.884 -4.612 1.00 0.00 C ATOM 199 C PRO A 17 -15.936 -5.787 -3.564 1.00 0.00 C ATOM 200 O PRO A 17 -15.205 -4.826 -3.800 1.00 0.00 O ATOM 201 CB PRO A 17 -14.845 -7.577 -5.004 1.00 0.00 C ATOM 202 CG PRO A 17 -14.452 -6.995 -6.352 1.00 0.00 C ATOM 203 CD PRO A 17 -15.655 -6.248 -6.905 1.00 0.00 C ATOM 0 HA PRO A 17 -16.827 -7.589 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.067 -7.401 -4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.984 -8.656 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.601 -6.322 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.147 -7.787 -7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.406 -5.212 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.013 -6.702 -7.829 1.00 0.00 H new ATOM 211 N ASN A 18 -16.596 -5.967 -2.430 1.00 0.00 N ATOM 212 CA ASN A 18 -16.497 -5.004 -1.346 1.00 0.00 C ATOM 213 C ASN A 18 -15.028 -4.632 -1.133 1.00 0.00 C ATOM 214 O ASN A 18 -14.132 -5.359 -1.558 1.00 0.00 O ATOM 215 CB ASN A 18 -17.031 -5.591 -0.038 1.00 0.00 C ATOM 216 CG ASN A 18 -18.530 -5.325 0.112 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.222 -5.486 -1.012 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.025 -4.996 1.177 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.201 -6.765 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.088 -4.129 -1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.845 -6.665 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.495 -5.156 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.435 -4.890 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.029 -4.827 1.242 1.00 0.00 H new ATOM 225 N PRO A 19 -14.822 -3.471 -0.456 1.00 0.00 N ATOM 226 CA PRO A 19 -13.477 -2.993 -0.181 1.00 0.00 C ATOM 227 C PRO A 19 -12.827 -3.803 0.942 1.00 0.00 C ATOM 228 O PRO A 19 -13.518 -4.334 1.810 1.00 0.00 O ATOM 229 CB PRO A 19 -13.645 -1.523 0.167 1.00 0.00 C ATOM 230 CG PRO A 19 -15.111 -1.345 0.528 1.00 0.00 C ATOM 231 CD PRO A 19 -15.859 -2.584 0.063 1.00 0.00 C ATOM 0 HA PRO A 19 -12.806 -3.113 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.001 -1.243 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.370 -0.888 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.226 -1.211 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.516 -0.453 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.403 -3.050 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.592 -2.339 -0.706 1.00 0.00 H new ATOM 239 N PRO A 20 -11.470 -3.875 0.887 1.00 0.00 N ATOM 240 CA PRO A 20 -10.718 -4.611 1.889 1.00 0.00 C ATOM 241 C PRO A 20 -10.659 -3.838 3.208 1.00 0.00 C ATOM 242 O PRO A 20 -11.075 -2.682 3.273 1.00 0.00 O ATOM 243 CB PRO A 20 -9.349 -4.834 1.269 1.00 0.00 C ATOM 244 CG PRO A 20 -9.231 -3.819 0.143 1.00 0.00 C ATOM 245 CD PRO A 20 -10.618 -3.259 -0.126 1.00 0.00 C ATOM 0 HA PRO A 20 -11.182 -5.563 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.559 -4.693 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.253 -5.851 0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.544 -3.020 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.828 -4.289 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.629 -2.172 -0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.957 -3.507 -1.132 1.00 0.00 H new ATOM 253 N PHE A 21 -10.137 -4.506 4.226 1.00 0.00 N ATOM 254 CA PHE A 21 -10.017 -3.896 5.539 1.00 0.00 C ATOM 255 C PHE A 21 -8.812 -4.457 6.297 1.00 0.00 C ATOM 256 O PHE A 21 -8.110 -5.332 5.793 1.00 0.00 O ATOM 257 CB PHE A 21 -11.294 -4.239 6.310 1.00 0.00 C ATOM 258 CG PHE A 21 -11.673 -5.721 6.257 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.139 -6.592 7.154 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.545 -6.166 5.313 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.491 -7.967 7.105 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.897 -7.541 5.264 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.362 -8.412 6.161 1.00 0.00 C ATOM 0 H PHE A 21 -9.792 -5.464 4.168 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.879 -2.820 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.168 -3.944 7.352 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.118 -3.649 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.447 -6.238 7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.970 -5.474 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.067 -8.659 7.818 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.589 -7.895 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.629 -9.458 6.123 1.00 0.00 H new ATOM 273 N ASP A 22 -8.609 -3.930 7.495 1.00 0.00 N ATOM 274 CA ASP A 22 -7.501 -4.367 8.327 1.00 0.00 C ATOM 275 C ASP A 22 -6.184 -4.093 7.599 1.00 0.00 C ATOM 276 O ASP A 22 -5.147 -4.652 7.953 1.00 0.00 O ATOM 277 CB ASP A 22 -7.582 -5.868 8.609 1.00 0.00 C ATOM 278 CG ASP A 22 -7.766 -6.241 10.081 1.00 0.00 C ATOM 279 OD1 ASP A 22 -6.915 -5.807 10.887 1.00 0.00 O ATOM 280 OD2 ASP A 22 -8.753 -6.953 10.367 1.00 0.00 O ATOM 0 H ASP A 22 -9.193 -3.204 7.910 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.551 -3.820 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.411 -6.285 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.672 -6.341 8.241 1.00 0.00 H new ATOM 285 N LEU A 23 -6.267 -3.231 6.596 1.00 0.00 N ATOM 286 CA LEU A 23 -5.094 -2.876 5.815 1.00 0.00 C ATOM 287 C LEU A 23 -3.896 -2.704 6.752 1.00 0.00 C ATOM 288 O LEU A 23 -4.001 -2.044 7.784 1.00 0.00 O ATOM 289 CB LEU A 23 -5.379 -1.647 4.949 1.00 0.00 C ATOM 290 CG LEU A 23 -5.245 -1.846 3.438 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.430 -2.638 2.882 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.064 -0.506 2.722 1.00 0.00 C ATOM 0 H LEU A 23 -7.128 -2.768 6.306 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.843 -3.676 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.391 -1.304 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.702 -0.849 5.252 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.347 -2.435 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.310 -2.765 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.471 -3.616 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.355 -2.097 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.971 -0.676 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.928 0.129 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.163 -0.015 3.091 1.00 0.00 H new ATOM 304 N GLU A 24 -2.786 -3.310 6.357 1.00 0.00 N ATOM 305 CA GLU A 24 -1.570 -3.233 7.149 1.00 0.00 C ATOM 306 C GLU A 24 -0.350 -3.098 6.235 1.00 0.00 C ATOM 307 O GLU A 24 -0.461 -3.248 5.019 1.00 0.00 O ATOM 308 CB GLU A 24 -1.435 -4.448 8.068 1.00 0.00 C ATOM 309 CG GLU A 24 -1.481 -4.031 9.539 1.00 0.00 C ATOM 310 CD GLU A 24 -2.321 -5.010 10.361 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.503 -5.189 9.995 1.00 0.00 O ATOM 312 OE2 GLU A 24 -1.762 -5.558 11.336 1.00 0.00 O ATOM 0 H GLU A 24 -2.703 -3.856 5.500 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.627 -2.347 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.238 -5.155 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.496 -4.962 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.469 -3.989 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.899 -3.028 9.623 1.00 0.00 H new ATOM 319 N LEU A 25 0.786 -2.816 6.856 1.00 0.00 N ATOM 320 CA LEU A 25 2.026 -2.659 6.113 1.00 0.00 C ATOM 321 C LEU A 25 3.148 -3.402 6.841 1.00 0.00 C ATOM 322 O LEU A 25 3.605 -2.965 7.896 1.00 0.00 O ATOM 323 CB LEU A 25 2.323 -1.178 5.874 1.00 0.00 C ATOM 324 CG LEU A 25 1.625 -0.539 4.672 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.128 0.868 5.011 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.535 -0.545 3.442 1.00 0.00 C ATOM 0 H LEU A 25 0.874 -2.692 7.865 1.00 0.00 H new ATOM 0 HA LEU A 25 1.937 -3.106 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.043 -0.623 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.399 -1.059 5.749 1.00 0.00 H new ATOM 0 HG LEU A 25 0.749 -1.140 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.636 1.300 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.420 0.814 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.974 1.493 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.014 -0.085 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.443 0.018 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.797 -1.572 3.188 1.00 0.00 H new ATOM 445 N VAL A 33 8.453 -3.094 0.262 1.00 0.00 N ATOM 446 CA VAL A 33 7.510 -3.360 1.335 1.00 0.00 C ATOM 447 C VAL A 33 6.293 -4.093 0.768 1.00 0.00 C ATOM 448 O VAL A 33 5.893 -3.852 -0.370 1.00 0.00 O ATOM 449 CB VAL A 33 7.145 -2.055 2.045 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.314 -1.148 1.134 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.410 -2.333 3.359 1.00 0.00 C ATOM 0 HA VAL A 33 7.959 -4.009 2.087 1.00 0.00 H new ATOM 0 HB VAL A 33 8.072 -1.533 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.068 -0.227 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.887 -0.909 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.394 -1.660 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.162 -1.389 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.494 -2.887 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.050 -2.921 4.016 1.00 0.00 H new ATOM 461 N GLN A 34 5.738 -4.973 1.588 1.00 0.00 N ATOM 462 CA GLN A 34 4.574 -5.743 1.183 1.00 0.00 C ATOM 463 C GLN A 34 3.309 -5.170 1.824 1.00 0.00 C ATOM 464 O GLN A 34 3.296 -4.864 3.015 1.00 0.00 O ATOM 465 CB GLN A 34 4.746 -7.222 1.534 1.00 0.00 C ATOM 466 CG GLN A 34 3.558 -8.047 1.032 1.00 0.00 C ATOM 467 CD GLN A 34 2.952 -8.880 2.163 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.136 -10.082 2.251 1.00 0.00 O ATOM 469 NE2 GLN A 34 2.220 -8.175 3.022 1.00 0.00 N ATOM 0 H GLN A 34 6.073 -5.170 2.531 1.00 0.00 H new ATOM 0 HA GLN A 34 4.473 -5.670 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.668 -7.599 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.841 -7.334 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.799 -7.383 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.882 -8.704 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.106 -7.170 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.773 -8.640 3.812 1.00 0.00 H new ATOM 478 N LEU A 35 2.274 -5.043 1.006 1.00 0.00 N ATOM 479 CA LEU A 35 1.007 -4.512 1.478 1.00 0.00 C ATOM 480 C LEU A 35 0.005 -5.658 1.633 1.00 0.00 C ATOM 481 O LEU A 35 -0.412 -6.260 0.645 1.00 0.00 O ATOM 482 CB LEU A 35 0.521 -3.389 0.560 1.00 0.00 C ATOM 483 CG LEU A 35 -0.866 -2.822 0.870 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.849 -2.013 2.169 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.401 -2.005 -0.308 1.00 0.00 C ATOM 0 H LEU A 35 2.288 -5.299 0.019 1.00 0.00 H new ATOM 0 HA LEU A 35 1.127 -4.058 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.243 -2.574 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.519 -3.760 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.551 -3.657 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.847 -1.621 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.542 -2.656 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.146 -1.185 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.388 -1.614 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.723 -1.176 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.473 -2.642 -1.190 1.00 0.00 H new ATOM 497 N SER A 36 -0.352 -5.924 2.880 1.00 0.00 N ATOM 498 CA SER A 36 -1.298 -6.987 3.177 1.00 0.00 C ATOM 499 C SER A 36 -2.707 -6.409 3.320 1.00 0.00 C ATOM 500 O SER A 36 -2.941 -5.533 4.151 1.00 0.00 O ATOM 501 CB SER A 36 -0.900 -7.739 4.449 1.00 0.00 C ATOM 502 OG SER A 36 0.237 -7.156 5.080 1.00 0.00 O ATOM 0 H SER A 36 -0.004 -5.422 3.697 1.00 0.00 H new ATOM 0 HA SER A 36 -1.286 -7.697 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.739 -7.743 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.685 -8.779 4.203 1.00 0.00 H new ATOM 0 HG SER A 36 0.458 -7.663 5.889 1.00 0.00 H new ATOM 508 N TRP A 37 -3.609 -6.923 2.497 1.00 0.00 N ATOM 509 CA TRP A 37 -4.989 -6.469 2.522 1.00 0.00 C ATOM 510 C TRP A 37 -5.889 -7.699 2.655 1.00 0.00 C ATOM 511 O TRP A 37 -5.448 -8.824 2.426 1.00 0.00 O ATOM 512 CB TRP A 37 -5.311 -5.625 1.287 1.00 0.00 C ATOM 513 CG TRP A 37 -5.221 -6.393 -0.033 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.150 -7.179 -0.595 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.099 -6.417 -0.940 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.710 -7.705 -1.792 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.423 -7.227 -2.009 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.851 -5.774 -0.859 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.553 -7.470 -3.078 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.992 -6.028 -1.936 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.303 -6.841 -3.019 1.00 0.00 C ATOM 0 H TRP A 37 -3.411 -7.649 1.809 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.164 -5.815 3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.317 -5.217 1.390 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.626 -4.778 1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.121 -7.376 -0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.233 -8.330 -2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.577 -5.135 -0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.831 -8.108 -3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.019 -5.559 -1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.584 -6.987 -3.812 1.00 0.00 H new ATOM 532 N THR A 38 -7.136 -7.443 3.026 1.00 0.00 N ATOM 533 CA THR A 38 -8.102 -8.516 3.193 1.00 0.00 C ATOM 534 C THR A 38 -9.380 -8.209 2.410 1.00 0.00 C ATOM 535 O THR A 38 -10.121 -7.291 2.759 1.00 0.00 O ATOM 536 CB THR A 38 -8.339 -8.709 4.692 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.152 -9.348 5.153 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.446 -9.724 4.984 1.00 0.00 C ATOM 0 H THR A 38 -7.499 -6.509 3.215 1.00 0.00 H new ATOM 0 HA THR A 38 -7.726 -9.454 2.785 1.00 0.00 H new ATOM 0 HB THR A 38 -8.596 -7.751 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.220 -9.509 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.574 -9.823 6.062 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.380 -9.382 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.174 -10.691 4.560 1.00 0.00 H new ATOM 546 N PRO A 39 -9.604 -9.015 1.338 1.00 0.00 N ATOM 547 CA PRO A 39 -10.780 -8.839 0.502 1.00 0.00 C ATOM 548 C PRO A 39 -12.034 -9.364 1.204 1.00 0.00 C ATOM 549 O PRO A 39 -12.179 -10.568 1.406 1.00 0.00 O ATOM 550 CB PRO A 39 -10.463 -9.584 -0.784 1.00 0.00 C ATOM 551 CG PRO A 39 -9.325 -10.533 -0.447 1.00 0.00 C ATOM 552 CD PRO A 39 -8.748 -10.112 0.895 1.00 0.00 C ATOM 0 HA PRO A 39 -10.997 -7.791 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.335 -10.131 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.173 -8.892 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.686 -11.561 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.557 -10.498 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.760 -10.937 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.711 -9.791 0.797 1.00 0.00 H new ATOM 560 N GLY A 40 -12.910 -8.433 1.554 1.00 0.00 N ATOM 561 CA GLY A 40 -14.148 -8.787 2.228 1.00 0.00 C ATOM 562 C GLY A 40 -15.059 -9.603 1.309 1.00 0.00 C ATOM 563 O GLY A 40 -14.593 -10.488 0.594 1.00 0.00 O ATOM 0 H GLY A 40 -12.787 -7.435 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.925 -9.361 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.664 -7.882 2.547 1.00 0.00 H new ATOM 567 N ASP A 41 -16.342 -9.276 1.359 1.00 0.00 N ATOM 568 CA ASP A 41 -17.323 -9.968 0.540 1.00 0.00 C ATOM 569 C ASP A 41 -17.008 -9.726 -0.938 1.00 0.00 C ATOM 570 O ASP A 41 -16.383 -8.726 -1.288 1.00 0.00 O ATOM 571 CB ASP A 41 -18.735 -9.447 0.814 1.00 0.00 C ATOM 572 CG ASP A 41 -19.115 -9.355 2.293 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.576 -10.388 2.825 1.00 0.00 O ATOM 574 OD2 ASP A 41 -18.935 -8.255 2.858 1.00 0.00 O ATOM 0 H ASP A 41 -16.725 -8.541 1.954 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.277 -11.030 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.834 -8.458 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.450 -10.098 0.311 1.00 0.00 H new ATOM 579 N ASP A 42 -17.456 -10.659 -1.766 1.00 0.00 N ATOM 580 CA ASP A 42 -17.230 -10.559 -3.197 1.00 0.00 C ATOM 581 C ASP A 42 -18.545 -10.200 -3.893 1.00 0.00 C ATOM 582 O ASP A 42 -18.544 -9.769 -5.045 1.00 0.00 O ATOM 583 CB ASP A 42 -16.740 -11.890 -3.771 1.00 0.00 C ATOM 584 CG ASP A 42 -15.808 -12.686 -2.855 1.00 0.00 C ATOM 585 OD1 ASP A 42 -16.295 -13.120 -1.789 1.00 0.00 O ATOM 586 OD2 ASP A 42 -14.629 -12.840 -3.241 1.00 0.00 O ATOM 0 H ASP A 42 -17.974 -11.487 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.474 -9.792 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.607 -12.507 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.222 -11.695 -4.710 1.00 0.00 H new ATOM 591 N ASN A 43 -19.634 -10.391 -3.164 1.00 0.00 N ATOM 592 CA ASN A 43 -20.953 -10.093 -3.697 1.00 0.00 C ATOM 593 C ASN A 43 -21.211 -10.965 -4.927 1.00 0.00 C ATOM 594 O ASN A 43 -21.285 -10.460 -6.046 1.00 0.00 O ATOM 595 CB ASN A 43 -21.055 -8.628 -4.126 1.00 0.00 C ATOM 596 CG ASN A 43 -21.053 -7.699 -2.911 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.129 -7.998 -2.002 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.839 -6.772 -2.805 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.631 -10.748 -2.209 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.686 -10.292 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.220 -8.378 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.968 -8.477 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.524 -6.597 -3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.811 -6.171 -1.981 1.00 0.00 H new ATOM 605 N ASN A 44 -21.340 -12.260 -4.678 1.00 0.00 N ATOM 606 CA ASN A 44 -21.588 -13.207 -5.752 1.00 0.00 C ATOM 607 C ASN A 44 -20.360 -13.273 -6.662 1.00 0.00 C ATOM 608 O ASN A 44 -19.739 -14.326 -6.799 1.00 0.00 O ATOM 609 CB ASN A 44 -22.784 -12.776 -6.602 1.00 0.00 C ATOM 610 CG ASN A 44 -24.095 -13.297 -6.010 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.590 -14.354 -6.366 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.627 -12.499 -5.088 1.00 0.00 N ATOM 0 H ASN A 44 -21.277 -12.676 -3.749 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.797 -14.178 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.816 -11.688 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.666 -13.151 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.502 -12.759 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.160 -11.628 -4.837 1.00 0.00 H new ATOM 619 N SER A 45 -20.045 -12.133 -7.261 1.00 0.00 N ATOM 620 CA SER A 45 -18.903 -12.048 -8.154 1.00 0.00 C ATOM 621 C SER A 45 -17.603 -12.098 -7.348 1.00 0.00 C ATOM 622 O SER A 45 -17.342 -11.217 -6.530 1.00 0.00 O ATOM 623 CB SER A 45 -18.956 -10.772 -8.997 1.00 0.00 C ATOM 624 OG SER A 45 -17.779 -10.601 -9.782 1.00 0.00 O ATOM 0 H SER A 45 -20.561 -11.261 -7.145 1.00 0.00 H new ATOM 0 HA SER A 45 -18.936 -12.901 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.827 -10.806 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.083 -9.910 -8.342 1.00 0.00 H new ATOM 0 HG SER A 45 -18.020 -10.579 -10.732 1.00 0.00 H new ATOM 630 N PRO A 46 -16.802 -13.164 -7.615 1.00 0.00 N ATOM 631 CA PRO A 46 -15.536 -13.340 -6.923 1.00 0.00 C ATOM 632 C PRO A 46 -14.480 -12.370 -7.457 1.00 0.00 C ATOM 633 O PRO A 46 -14.576 -11.906 -8.592 1.00 0.00 O ATOM 634 CB PRO A 46 -15.168 -14.798 -7.143 1.00 0.00 C ATOM 635 CG PRO A 46 -15.996 -15.263 -8.329 1.00 0.00 C ATOM 636 CD PRO A 46 -17.079 -14.226 -8.577 1.00 0.00 C ATOM 0 HA PRO A 46 -15.603 -13.116 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.102 -14.906 -7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.386 -15.394 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.367 -15.377 -9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.440 -16.238 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.043 -13.853 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.073 -14.647 -8.426 1.00 0.00 H new ATOM 644 N ILE A 47 -13.498 -12.091 -6.612 1.00 0.00 N ATOM 645 CA ILE A 47 -12.426 -11.184 -6.984 1.00 0.00 C ATOM 646 C ILE A 47 -11.565 -11.837 -8.068 1.00 0.00 C ATOM 647 O ILE A 47 -11.348 -13.047 -8.047 1.00 0.00 O ATOM 648 CB ILE A 47 -11.635 -10.753 -5.747 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.710 -9.238 -5.550 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.190 -11.251 -5.819 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.112 -8.498 -6.748 1.00 0.00 C ATOM 0 H ILE A 47 -13.423 -12.477 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.833 -10.267 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.091 -11.215 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.749 -8.937 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.175 -8.959 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.650 -10.931 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.183 -12.339 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.706 -10.838 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.178 -7.423 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.067 -8.783 -6.867 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.664 -8.760 -7.650 1.00 0.00 H new ATOM 663 N THR A 48 -11.098 -11.006 -8.988 1.00 0.00 N ATOM 664 CA THR A 48 -10.266 -11.487 -10.077 1.00 0.00 C ATOM 665 C THR A 48 -8.919 -10.761 -10.081 1.00 0.00 C ATOM 666 O THR A 48 -7.892 -11.352 -10.409 1.00 0.00 O ATOM 667 CB THR A 48 -11.050 -11.320 -11.381 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.410 -9.942 -11.395 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.391 -12.056 -11.356 1.00 0.00 C ATOM 0 H THR A 48 -11.280 -10.002 -9.001 1.00 0.00 H new ATOM 0 HA THR A 48 -10.029 -12.544 -9.956 1.00 0.00 H new ATOM 0 HB THR A 48 -10.451 -11.686 -12.215 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.383 -9.588 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.907 -11.905 -12.304 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.219 -13.121 -11.202 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.005 -11.667 -10.543 1.00 0.00 H new ATOM 677 N LYS A 49 -8.968 -9.489 -9.712 1.00 0.00 N ATOM 678 CA LYS A 49 -7.765 -8.675 -9.669 1.00 0.00 C ATOM 679 C LYS A 49 -7.856 -7.701 -8.492 1.00 0.00 C ATOM 680 O LYS A 49 -8.944 -7.436 -7.984 1.00 0.00 O ATOM 681 CB LYS A 49 -7.532 -7.991 -11.017 1.00 0.00 C ATOM 682 CG LYS A 49 -6.946 -6.591 -10.827 1.00 0.00 C ATOM 683 CD LYS A 49 -6.744 -5.893 -12.174 1.00 0.00 C ATOM 684 CE LYS A 49 -8.082 -5.662 -12.878 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.063 -6.252 -14.235 1.00 0.00 N ATOM 0 H LYS A 49 -9.822 -9.002 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.888 -9.300 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.855 -8.594 -11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.473 -7.924 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.612 -5.996 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.993 -6.660 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.240 -4.939 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.095 -6.498 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.888 -6.105 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.286 -4.593 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.979 -6.086 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.306 -5.810 -14.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.890 -7.275 -14.166 1.00 0.00 H new ATOM 699 N PHE A 50 -6.698 -7.196 -8.094 1.00 0.00 N ATOM 700 CA PHE A 50 -6.632 -6.257 -6.987 1.00 0.00 C ATOM 701 C PHE A 50 -5.701 -5.088 -7.313 1.00 0.00 C ATOM 702 O PHE A 50 -4.480 -5.238 -7.296 1.00 0.00 O ATOM 703 CB PHE A 50 -6.071 -7.020 -5.785 1.00 0.00 C ATOM 704 CG PHE A 50 -7.111 -7.861 -5.042 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.213 -7.267 -4.511 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.933 -9.203 -4.912 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.177 -8.048 -3.821 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.897 -9.984 -4.222 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.999 -9.390 -3.691 1.00 0.00 C ATOM 0 H PHE A 50 -5.798 -7.419 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.623 -5.851 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.267 -7.672 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.630 -6.307 -5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.355 -6.201 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.058 -9.675 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.052 -7.576 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.755 -11.050 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.733 -9.984 -3.166 1.00 0.00 H new ATOM 719 N ILE A 51 -6.313 -3.949 -7.604 1.00 0.00 N ATOM 720 CA ILE A 51 -5.554 -2.755 -7.934 1.00 0.00 C ATOM 721 C ILE A 51 -5.243 -1.982 -6.651 1.00 0.00 C ATOM 722 O ILE A 51 -5.961 -2.104 -5.659 1.00 0.00 O ATOM 723 CB ILE A 51 -6.290 -1.926 -8.988 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.429 -2.704 -10.298 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.609 -0.571 -9.195 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.899 -2.844 -10.699 1.00 0.00 C ATOM 0 H ILE A 51 -7.326 -3.828 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.598 -3.024 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.298 -1.727 -8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.880 -2.193 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.983 -3.692 -10.187 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.153 -0.002 -9.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.606 -0.018 -8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.583 -0.727 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.970 -3.401 -11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.440 -3.377 -9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.336 -1.854 -10.833 1.00 0.00 H new ATOM 738 N ILE A 52 -4.173 -1.203 -6.711 1.00 0.00 N ATOM 739 CA ILE A 52 -3.759 -0.410 -5.566 1.00 0.00 C ATOM 740 C ILE A 52 -3.467 1.021 -6.020 1.00 0.00 C ATOM 741 O ILE A 52 -3.245 1.267 -7.205 1.00 0.00 O ATOM 742 CB ILE A 52 -2.585 -1.079 -4.848 1.00 0.00 C ATOM 743 CG1 ILE A 52 -3.013 -2.402 -4.211 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.953 -0.129 -3.828 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.317 -3.586 -4.885 1.00 0.00 C ATOM 0 H ILE A 52 -3.580 -1.104 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.562 -0.354 -4.831 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.820 -1.312 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.773 -2.392 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.094 -2.516 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.121 -0.629 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.588 0.762 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.699 0.157 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.639 -4.514 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.578 -3.607 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.237 -3.481 -4.780 1.00 0.00 H new ATOM 757 N GLU A 53 -3.478 1.928 -5.055 1.00 0.00 N ATOM 758 CA GLU A 53 -3.217 3.329 -5.341 1.00 0.00 C ATOM 759 C GLU A 53 -2.691 4.037 -4.091 1.00 0.00 C ATOM 760 O GLU A 53 -2.886 3.560 -2.975 1.00 0.00 O ATOM 761 CB GLU A 53 -4.472 4.022 -5.876 1.00 0.00 C ATOM 762 CG GLU A 53 -4.770 3.584 -7.312 1.00 0.00 C ATOM 763 CD GLU A 53 -5.682 4.592 -8.014 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.342 5.794 -7.967 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.699 4.138 -8.581 1.00 0.00 O ATOM 0 H GLU A 53 -3.664 1.720 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.452 3.385 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.323 3.787 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.337 5.103 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.837 3.484 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.244 2.602 -7.306 1.00 0.00 H new ATOM 772 N TYR A 54 -2.034 5.164 -4.322 1.00 0.00 N ATOM 773 CA TYR A 54 -1.477 5.943 -3.228 1.00 0.00 C ATOM 774 C TYR A 54 -1.543 7.441 -3.533 1.00 0.00 C ATOM 775 O TYR A 54 -1.637 7.839 -4.693 1.00 0.00 O ATOM 776 CB TYR A 54 -0.011 5.522 -3.114 1.00 0.00 C ATOM 777 CG TYR A 54 0.906 6.170 -4.153 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.037 5.606 -5.405 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.601 7.320 -3.838 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.899 6.216 -6.384 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.464 7.931 -4.817 1.00 0.00 C ATOM 782 CZ TYR A 54 2.570 7.348 -6.041 1.00 0.00 C ATOM 783 OH TYR A 54 3.385 7.925 -6.965 1.00 0.00 O ATOM 0 H TYR A 54 -1.875 5.557 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.035 5.767 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.352 5.773 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.054 4.438 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.493 4.706 -5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.498 7.762 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.010 5.785 -7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.014 8.831 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 54 3.798 8.727 -6.582 1.00 0.00 H new ATOM 793 N GLU A 55 -1.491 8.231 -2.471 1.00 0.00 N ATOM 794 CA GLU A 55 -1.543 9.677 -2.610 1.00 0.00 C ATOM 795 C GLU A 55 -0.324 10.319 -1.945 1.00 0.00 C ATOM 796 O GLU A 55 -0.021 10.034 -0.787 1.00 0.00 O ATOM 797 CB GLU A 55 -2.843 10.237 -2.028 1.00 0.00 C ATOM 798 CG GLU A 55 -2.989 9.861 -0.552 1.00 0.00 C ATOM 799 CD GLU A 55 -2.915 11.102 0.340 1.00 0.00 C ATOM 800 OE1 GLU A 55 -1.901 11.824 0.224 1.00 0.00 O ATOM 801 OE2 GLU A 55 -3.874 11.301 1.116 1.00 0.00 O ATOM 0 H GLU A 55 -1.413 7.897 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.523 9.921 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.855 11.322 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.693 9.852 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.940 9.352 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.203 9.160 -0.272 1.00 0.00 H new ATOM 808 N ASP A 56 0.345 11.172 -2.707 1.00 0.00 N ATOM 809 CA ASP A 56 1.525 11.857 -2.207 1.00 0.00 C ATOM 810 C ASP A 56 1.098 12.936 -1.210 1.00 0.00 C ATOM 811 O ASP A 56 0.792 14.062 -1.601 1.00 0.00 O ATOM 812 CB ASP A 56 2.289 12.538 -3.343 1.00 0.00 C ATOM 813 CG ASP A 56 2.090 11.911 -4.724 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.918 11.843 -5.153 1.00 0.00 O ATOM 815 OD2 ASP A 56 3.114 11.512 -5.320 1.00 0.00 O ATOM 0 H ASP A 56 0.092 11.404 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 56 2.169 11.117 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.986 13.584 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.352 12.525 -3.104 1.00 0.00 H new ATOM 820 N ALA A 57 1.092 12.556 0.059 1.00 0.00 N ATOM 821 CA ALA A 57 0.709 13.477 1.115 1.00 0.00 C ATOM 822 C ALA A 57 1.839 14.483 1.343 1.00 0.00 C ATOM 823 O ALA A 57 1.600 15.593 1.816 1.00 0.00 O ATOM 824 CB ALA A 57 0.365 12.689 2.380 1.00 0.00 C ATOM 0 H ALA A 57 1.347 11.622 0.380 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.180 14.039 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.078 13.380 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.463 12.011 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.235 12.114 2.698 1.00 0.00 H new ATOM 830 N MET A 58 3.045 14.059 0.996 1.00 0.00 N ATOM 831 CA MET A 58 4.212 14.909 1.158 1.00 0.00 C ATOM 832 C MET A 58 4.289 15.953 0.042 1.00 0.00 C ATOM 833 O MET A 58 5.109 16.867 0.098 1.00 0.00 O ATOM 834 CB MET A 58 5.477 14.048 1.139 1.00 0.00 C ATOM 835 CG MET A 58 6.731 14.918 1.027 1.00 0.00 C ATOM 836 SD MET A 58 8.096 14.132 1.867 1.00 0.00 S ATOM 837 CE MET A 58 7.433 14.044 3.522 1.00 0.00 C ATOM 0 H MET A 58 3.239 13.138 0.603 1.00 0.00 H new ATOM 0 HA MET A 58 4.130 15.429 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.526 13.448 2.048 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.436 13.353 0.300 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.981 15.076 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.543 15.900 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.194 14.360 4.236 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.566 14.700 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.134 13.019 3.740 1.00 0.00 H new ATOM 847 N HIS A 59 3.422 15.781 -0.946 1.00 0.00 N ATOM 848 CA HIS A 59 3.381 16.697 -2.073 1.00 0.00 C ATOM 849 C HIS A 59 1.952 17.205 -2.270 1.00 0.00 C ATOM 850 O HIS A 59 1.672 18.383 -2.053 1.00 0.00 O ATOM 851 CB HIS A 59 3.956 16.039 -3.329 1.00 0.00 C ATOM 852 CG HIS A 59 5.407 15.642 -3.206 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.815 14.469 -2.595 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.542 16.274 -3.622 1.00 0.00 C ATOM 855 CE1 HIS A 59 7.137 14.409 -2.646 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.586 15.528 -3.282 1.00 0.00 N ATOM 0 H HIS A 59 2.743 15.021 -0.989 1.00 0.00 H new ATOM 0 HA HIS A 59 4.011 17.562 -1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.366 15.153 -3.565 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.848 16.726 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.584 17.221 -4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.752 13.613 -2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.563 15.755 -3.466 1.00 0.00 H new ATOM 864 N LYS A 60 1.085 16.291 -2.680 1.00 0.00 N ATOM 865 CA LYS A 60 -0.309 16.631 -2.909 1.00 0.00 C ATOM 866 C LYS A 60 -1.201 15.545 -2.303 1.00 0.00 C ATOM 867 O LYS A 60 -1.443 14.514 -2.930 1.00 0.00 O ATOM 868 CB LYS A 60 -0.563 16.876 -4.397 1.00 0.00 C ATOM 869 CG LYS A 60 -0.232 18.320 -4.780 1.00 0.00 C ATOM 870 CD LYS A 60 -1.462 19.035 -5.340 1.00 0.00 C ATOM 871 CE LYS A 60 -1.873 18.444 -6.691 1.00 0.00 C ATOM 872 NZ LYS A 60 -3.202 18.952 -7.096 1.00 0.00 N ATOM 0 H LYS A 60 1.321 15.315 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.560 17.566 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.042 16.191 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.606 16.664 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.138 18.856 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.567 18.329 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.289 18.950 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.249 20.098 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.132 18.702 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.897 17.356 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.466 18.541 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.909 18.684 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.168 19.988 -7.177 1.00 0.00 H new ATOM 886 N PRO A 61 -1.678 15.820 -1.060 1.00 0.00 N ATOM 887 CA PRO A 61 -2.537 14.878 -0.363 1.00 0.00 C ATOM 888 C PRO A 61 -3.952 14.892 -0.946 1.00 0.00 C ATOM 889 O PRO A 61 -4.657 15.895 -0.849 1.00 0.00 O ATOM 890 CB PRO A 61 -2.491 15.308 1.095 1.00 0.00 C ATOM 891 CG PRO A 61 -1.986 16.741 1.091 1.00 0.00 C ATOM 892 CD PRO A 61 -1.412 17.030 -0.287 1.00 0.00 C ATOM 0 HA PRO A 61 -2.204 13.846 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.478 15.243 1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.829 14.662 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.797 17.432 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.224 16.879 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.886 17.901 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.344 17.240 -0.235 1.00 0.00 H new ATOM 900 N GLY A 62 -4.324 13.767 -1.538 1.00 0.00 N ATOM 901 CA GLY A 62 -5.642 13.637 -2.137 1.00 0.00 C ATOM 902 C GLY A 62 -5.537 13.249 -3.613 1.00 0.00 C ATOM 903 O GLY A 62 -6.552 13.068 -4.284 1.00 0.00 O ATOM 0 H GLY A 62 -3.736 12.937 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.217 12.883 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.183 14.579 -2.042 1.00 0.00 H new ATOM 907 N LEU A 63 -4.301 13.131 -4.075 1.00 0.00 N ATOM 908 CA LEU A 63 -4.051 12.768 -5.459 1.00 0.00 C ATOM 909 C LEU A 63 -3.628 11.299 -5.528 1.00 0.00 C ATOM 910 O LEU A 63 -2.454 10.978 -5.348 1.00 0.00 O ATOM 911 CB LEU A 63 -3.042 13.728 -6.092 1.00 0.00 C ATOM 912 CG LEU A 63 -3.150 13.912 -7.607 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.494 14.534 -7.990 1.00 0.00 C ATOM 914 CD2 LEU A 63 -1.969 14.722 -8.146 1.00 0.00 C ATOM 0 H LEU A 63 -3.462 13.280 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.963 12.866 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.153 14.704 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.038 13.373 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.106 12.928 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.544 14.654 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.304 13.884 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.593 15.509 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.070 14.838 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.956 15.705 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.038 14.201 -7.923 1.00 0.00 H new ATOM 926 N TRP A 64 -4.607 10.446 -5.790 1.00 0.00 N ATOM 927 CA TRP A 64 -4.351 9.019 -5.884 1.00 0.00 C ATOM 928 C TRP A 64 -3.905 8.712 -7.316 1.00 0.00 C ATOM 929 O TRP A 64 -4.494 9.211 -8.273 1.00 0.00 O ATOM 930 CB TRP A 64 -5.578 8.211 -5.455 1.00 0.00 C ATOM 931 CG TRP A 64 -6.141 8.613 -4.090 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.021 9.585 -3.814 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.823 8.011 -2.818 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.294 9.652 -2.463 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.542 8.664 -1.838 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.957 6.948 -2.505 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.468 8.329 -0.481 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.894 6.625 -1.144 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.612 7.273 -0.146 1.00 0.00 C ATOM 0 H TRP A 64 -5.579 10.716 -5.940 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.555 8.725 -5.200 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.358 8.327 -6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.314 7.154 -5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.461 10.235 -4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.930 10.306 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.385 6.422 -3.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.040 8.857 0.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.242 5.816 -0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.510 6.963 0.884 1.00 0.00 H new ATOM 950 N HIS A 65 -2.869 7.893 -7.416 1.00 0.00 N ATOM 951 CA HIS A 65 -2.337 7.514 -8.714 1.00 0.00 C ATOM 952 C HIS A 65 -2.319 5.989 -8.836 1.00 0.00 C ATOM 953 O HIS A 65 -2.585 5.282 -7.866 1.00 0.00 O ATOM 954 CB HIS A 65 -0.961 8.143 -8.942 1.00 0.00 C ATOM 955 CG HIS A 65 -0.949 9.649 -8.833 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.178 10.482 -9.915 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.734 10.463 -7.760 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.101 11.738 -9.500 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.825 11.724 -8.164 1.00 0.00 N ATOM 0 H HIS A 65 -2.383 7.481 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.984 7.899 -9.502 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.260 7.731 -8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.602 7.858 -9.931 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.373 10.180 -10.870 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.525 10.137 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.233 12.618 -10.112 1.00 0.00 H new ATOM 967 N HIS A 66 -2.003 5.528 -10.037 1.00 0.00 N ATOM 968 CA HIS A 66 -1.947 4.099 -10.299 1.00 0.00 C ATOM 969 C HIS A 66 -0.640 3.528 -9.748 1.00 0.00 C ATOM 970 O HIS A 66 0.443 3.891 -10.206 1.00 0.00 O ATOM 971 CB HIS A 66 -2.139 3.812 -11.790 1.00 0.00 C ATOM 972 CG HIS A 66 -2.950 2.571 -12.077 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.642 1.334 -11.539 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.059 2.390 -12.850 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.532 0.455 -11.976 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.409 1.112 -12.788 1.00 0.00 N ATOM 0 H HIS A 66 -1.783 6.118 -10.840 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.767 3.598 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.628 4.668 -12.254 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.160 3.711 -12.259 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.566 3.157 -13.416 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.558 -0.597 -11.732 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.204 0.690 -13.269 1.00 0.00 H new ATOM 984 N GLN A 67 -0.782 2.642 -8.773 1.00 0.00 N ATOM 985 CA GLN A 67 0.374 2.016 -8.155 1.00 0.00 C ATOM 986 C GLN A 67 0.683 0.682 -8.837 1.00 0.00 C ATOM 987 O GLN A 67 1.605 0.593 -9.647 1.00 0.00 O ATOM 988 CB GLN A 67 0.158 1.827 -6.653 1.00 0.00 C ATOM 989 CG GLN A 67 1.332 1.078 -6.019 1.00 0.00 C ATOM 990 CD GLN A 67 2.114 1.986 -5.069 1.00 0.00 C ATOM 991 OE1 GLN A 67 1.603 2.959 -4.537 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.378 1.617 -4.885 1.00 0.00 N ATOM 0 H GLN A 67 -1.681 2.343 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 67 1.232 2.675 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.041 2.799 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.766 1.274 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.962 0.209 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.995 0.706 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.743 0.792 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.983 2.159 -4.268 1.00 0.00 H new ATOM 1001 N THR A 68 -0.104 -0.323 -8.483 1.00 0.00 N ATOM 1002 CA THR A 68 0.073 -1.649 -9.051 1.00 0.00 C ATOM 1003 C THR A 68 -1.122 -2.540 -8.709 1.00 0.00 C ATOM 1004 O THR A 68 -1.872 -2.249 -7.778 1.00 0.00 O ATOM 1005 CB THR A 68 1.408 -2.203 -8.548 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.596 -3.396 -9.304 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.331 -2.689 -7.099 1.00 0.00 C ATOM 0 H THR A 68 -0.866 -0.246 -7.810 1.00 0.00 H new ATOM 0 HA THR A 68 0.109 -1.612 -10.140 1.00 0.00 H new ATOM 0 HB THR A 68 2.175 -1.434 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.440 -3.819 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.304 -3.072 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.047 -1.859 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.587 -3.482 -7.020 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.263 -3.608 -9.481 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.355 -4.543 -9.272 1.00 0.00 C ATOM 1017 C GLU A 69 -1.824 -5.977 -9.223 1.00 0.00 C ATOM 1018 O GLU A 69 -0.651 -6.218 -9.505 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.423 -4.391 -10.357 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.806 -4.497 -11.753 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.211 -5.887 -11.986 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.811 -6.855 -11.469 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.171 -5.951 -12.675 1.00 0.00 O ATOM 0 H GLU A 69 -0.639 -3.846 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.823 -4.316 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.185 -5.161 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.922 -3.428 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.566 -4.292 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.029 -3.741 -11.870 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.712 -6.892 -8.863 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.347 -8.295 -8.774 1.00 0.00 C ATOM 1032 C VAL A 70 -3.567 -9.157 -9.104 1.00 0.00 C ATOM 1033 O VAL A 70 -4.622 -8.635 -9.462 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.758 -8.596 -7.393 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.230 -8.628 -7.444 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.252 -7.587 -6.355 1.00 0.00 C ATOM 0 H VAL A 70 -3.684 -6.689 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.573 -8.535 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.103 -9.584 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.163 -8.844 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.095 -9.403 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.143 -7.660 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.819 -7.823 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.951 -6.582 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.339 -7.635 -6.289 1.00 0.00 H new ATOM 1046 N SER A 71 -3.382 -10.463 -8.972 1.00 0.00 N ATOM 1047 CA SER A 71 -4.455 -11.402 -9.252 1.00 0.00 C ATOM 1048 C SER A 71 -5.482 -11.377 -8.119 1.00 0.00 C ATOM 1049 O SER A 71 -5.239 -10.782 -7.070 1.00 0.00 O ATOM 1050 CB SER A 71 -3.910 -12.819 -9.444 1.00 0.00 C ATOM 1051 OG SER A 71 -4.214 -13.338 -10.736 1.00 0.00 O ATOM 0 H SER A 71 -2.506 -10.892 -8.675 1.00 0.00 H new ATOM 0 HA SER A 71 -4.941 -11.100 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.830 -12.814 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.330 -13.475 -8.682 1.00 0.00 H new ATOM 0 HG SER A 71 -3.848 -14.243 -10.819 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.607 -12.031 -8.368 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.672 -12.091 -7.381 1.00 0.00 C ATOM 1059 C GLY A 72 -7.501 -13.303 -6.463 1.00 0.00 C ATOM 1060 O GLY A 72 -8.464 -13.768 -5.856 1.00 0.00 O ATOM 0 H GLY A 72 -6.804 -12.524 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.674 -11.177 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.637 -12.145 -7.885 1.00 0.00 H new ATOM 1064 N THR A 73 -6.267 -13.780 -6.390 1.00 0.00 N ATOM 1065 CA THR A 73 -5.957 -14.929 -5.557 1.00 0.00 C ATOM 1066 C THR A 73 -5.002 -14.529 -4.430 1.00 0.00 C ATOM 1067 O THR A 73 -5.122 -15.017 -3.307 1.00 0.00 O ATOM 1068 CB THR A 73 -5.402 -16.033 -6.460 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.511 -16.903 -6.666 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.369 -16.908 -5.748 1.00 0.00 C ATOM 0 H THR A 73 -5.470 -13.391 -6.894 1.00 0.00 H new ATOM 0 HA THR A 73 -6.850 -15.311 -5.064 1.00 0.00 H new ATOM 0 HB THR A 73 -4.950 -15.585 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.240 -17.647 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.008 -17.675 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.533 -16.290 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.830 -17.383 -4.882 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.076 -13.644 -4.769 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.102 -13.173 -3.800 1.00 0.00 C ATOM 1080 C GLN A 74 -3.686 -12.025 -2.975 1.00 0.00 C ATOM 1081 O GLN A 74 -4.725 -11.468 -3.328 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.804 -12.747 -4.490 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.918 -11.325 -5.043 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.538 -10.747 -5.360 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.324 -9.541 -4.842 1.00 0.00 O flip ATOM 1086 NE2 GLN A 74 0.280 -11.357 -6.030 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.980 -13.241 -5.701 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.864 -13.995 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.977 -12.800 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.575 -13.439 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.530 -11.330 -5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.425 -10.689 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.051 -12.280 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.192 -10.943 -6.222 1.00 0.00 H new ATOM 1095 N THR A 75 -2.994 -11.705 -1.891 1.00 0.00 N ATOM 1096 CA THR A 75 -3.432 -10.633 -1.013 1.00 0.00 C ATOM 1097 C THR A 75 -2.228 -9.849 -0.487 1.00 0.00 C ATOM 1098 O THR A 75 -2.349 -9.085 0.469 1.00 0.00 O ATOM 1099 CB THR A 75 -4.287 -11.250 0.096 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.567 -12.418 0.480 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.621 -11.788 -0.425 1.00 0.00 C ATOM 0 H THR A 75 -2.133 -12.169 -1.601 1.00 0.00 H new ATOM 0 HA THR A 75 -4.044 -9.907 -1.549 1.00 0.00 H new ATOM 0 HB THR A 75 -4.474 -10.504 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.050 -12.879 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.189 -12.215 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.191 -10.975 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.435 -12.558 -1.174 1.00 0.00 H new ATOM 1109 N THR A 76 -1.092 -10.066 -1.135 1.00 0.00 N ATOM 1110 CA THR A 76 0.133 -9.389 -0.744 1.00 0.00 C ATOM 1111 C THR A 76 0.905 -8.928 -1.982 1.00 0.00 C ATOM 1112 O THR A 76 1.278 -9.743 -2.824 1.00 0.00 O ATOM 1113 CB THR A 76 0.932 -10.338 0.152 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.734 -11.620 -0.437 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.325 -10.472 1.550 1.00 0.00 C ATOM 0 H THR A 76 -0.995 -10.701 -1.928 1.00 0.00 H new ATOM 0 HA THR A 76 -0.079 -8.483 -0.175 1.00 0.00 H new ATOM 0 HB THR A 76 1.959 -9.981 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.838 -11.553 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.930 -11.156 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.302 -9.495 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.690 -10.861 1.470 1.00 0.00 H new ATOM 1123 N ALA A 77 1.122 -7.623 -2.053 1.00 0.00 N ATOM 1124 CA ALA A 77 1.843 -7.044 -3.174 1.00 0.00 C ATOM 1125 C ALA A 77 2.953 -6.133 -2.644 1.00 0.00 C ATOM 1126 O ALA A 77 2.792 -5.492 -1.607 1.00 0.00 O ATOM 1127 CB ALA A 77 0.862 -6.301 -4.083 1.00 0.00 C ATOM 0 H ALA A 77 0.811 -6.950 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 77 2.314 -7.824 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.403 -5.867 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.112 -6.998 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.372 -5.508 -3.518 1.00 0.00 H new ATOM 1133 N GLN A 78 4.054 -6.106 -3.381 1.00 0.00 N ATOM 1134 CA GLN A 78 5.189 -5.284 -2.999 1.00 0.00 C ATOM 1135 C GLN A 78 4.990 -3.846 -3.482 1.00 0.00 C ATOM 1136 O GLN A 78 4.546 -3.621 -4.607 1.00 0.00 O ATOM 1137 CB GLN A 78 6.496 -5.868 -3.541 1.00 0.00 C ATOM 1138 CG GLN A 78 7.144 -6.802 -2.517 1.00 0.00 C ATOM 1139 CD GLN A 78 7.747 -8.031 -3.201 1.00 0.00 C ATOM 1140 OE1 GLN A 78 8.920 -8.337 -3.064 1.00 0.00 O ATOM 1141 NE2 GLN A 78 6.881 -8.716 -3.943 1.00 0.00 N ATOM 0 H GLN A 78 4.184 -6.640 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 78 5.256 -5.275 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.300 -6.414 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.185 -5.060 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.921 -6.267 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.400 -7.117 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.912 -8.404 -4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.186 -9.553 -4.440 1.00 0.00 H new ATOM 1150 N LEU A 79 5.329 -2.910 -2.608 1.00 0.00 N ATOM 1151 CA LEU A 79 5.193 -1.500 -2.930 1.00 0.00 C ATOM 1152 C LEU A 79 6.580 -0.854 -2.968 1.00 0.00 C ATOM 1153 O LEU A 79 7.413 -1.114 -2.101 1.00 0.00 O ATOM 1154 CB LEU A 79 4.223 -0.819 -1.962 1.00 0.00 C ATOM 1155 CG LEU A 79 2.822 -1.428 -1.878 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.821 -0.423 -1.306 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.377 -1.970 -3.238 1.00 0.00 C ATOM 0 H LEU A 79 5.698 -3.101 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 79 4.756 -1.376 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.665 -0.834 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.126 0.227 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 79 2.858 -2.273 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.833 -0.881 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.134 -0.127 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.781 0.457 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.378 -2.397 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.362 -1.159 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.074 -2.741 -3.568 1.00 0.00 H new ATOM 1169 N ASN A 80 6.784 -0.024 -3.980 1.00 0.00 N ATOM 1170 CA ASN A 80 8.055 0.662 -4.142 1.00 0.00 C ATOM 1171 C ASN A 80 7.977 2.035 -3.473 1.00 0.00 C ATOM 1172 O ASN A 80 7.276 2.925 -3.953 1.00 0.00 O ATOM 1173 CB ASN A 80 8.382 0.874 -5.621 1.00 0.00 C ATOM 1174 CG ASN A 80 9.186 -0.302 -6.179 1.00 0.00 C ATOM 1175 OD1 ASN A 80 8.805 -1.455 -6.071 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.317 0.054 -6.781 1.00 0.00 N ATOM 0 H ASN A 80 6.090 0.189 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 80 8.831 0.047 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.458 0.989 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.949 1.797 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.924 -0.658 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.577 1.039 -6.837 1.00 0.00 H new ATOM 1183 N LEU A 81 8.707 2.165 -2.374 1.00 0.00 N ATOM 1184 CA LEU A 81 8.730 3.416 -1.635 1.00 0.00 C ATOM 1185 C LEU A 81 10.091 4.089 -1.821 1.00 0.00 C ATOM 1186 O LEU A 81 11.066 3.435 -2.185 1.00 0.00 O ATOM 1187 CB LEU A 81 8.357 3.178 -0.170 1.00 0.00 C ATOM 1188 CG LEU A 81 7.084 2.365 0.075 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.654 2.448 1.541 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.966 2.798 -0.876 1.00 0.00 C ATOM 0 H LEU A 81 9.286 1.425 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 81 7.979 4.103 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.189 2.669 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.245 4.146 0.318 1.00 0.00 H new ATOM 0 HG LEU A 81 7.301 1.318 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.747 1.862 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.448 2.054 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.461 3.488 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.073 2.205 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.743 3.853 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.285 2.645 -1.907 1.00 0.00 H new ATOM 1202 N SER A 82 10.112 5.389 -1.564 1.00 0.00 N ATOM 1203 CA SER A 82 11.338 6.158 -1.699 1.00 0.00 C ATOM 1204 C SER A 82 11.582 6.980 -0.432 1.00 0.00 C ATOM 1205 O SER A 82 10.683 7.139 0.392 1.00 0.00 O ATOM 1206 CB SER A 82 11.281 7.074 -2.923 1.00 0.00 C ATOM 1207 OG SER A 82 9.962 7.174 -3.454 1.00 0.00 O ATOM 0 H SER A 82 9.300 5.929 -1.263 1.00 0.00 H new ATOM 0 HA SER A 82 12.165 5.462 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.638 8.067 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.954 6.694 -3.692 1.00 0.00 H new ATOM 0 HG SER A 82 9.967 7.769 -4.233 1.00 0.00 H new ATOM 1213 N PRO A 83 12.835 7.494 -0.313 1.00 0.00 N ATOM 1214 CA PRO A 83 13.209 8.296 0.840 1.00 0.00 C ATOM 1215 C PRO A 83 12.605 9.699 0.752 1.00 0.00 C ATOM 1216 O PRO A 83 12.561 10.293 -0.325 1.00 0.00 O ATOM 1217 CB PRO A 83 14.729 8.303 0.838 1.00 0.00 C ATOM 1218 CG PRO A 83 15.146 7.900 -0.567 1.00 0.00 C ATOM 1219 CD PRO A 83 13.926 7.326 -1.269 1.00 0.00 C ATOM 0 HA PRO A 83 12.827 7.890 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.115 9.290 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.124 7.606 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.530 8.762 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.948 7.162 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.721 7.853 -2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.072 6.276 -1.522 1.00 0.00 H new ATOM 1227 N TYR A 84 12.154 10.187 1.898 1.00 0.00 N ATOM 1228 CA TYR A 84 11.554 11.509 1.963 1.00 0.00 C ATOM 1229 C TYR A 84 10.271 11.571 1.132 1.00 0.00 C ATOM 1230 O TYR A 84 10.114 12.454 0.290 1.00 0.00 O ATOM 1231 CB TYR A 84 12.583 12.469 1.363 1.00 0.00 C ATOM 1232 CG TYR A 84 14.020 12.205 1.817 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.424 12.579 3.082 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.912 11.592 0.960 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.776 12.330 3.509 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.265 11.343 1.388 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.630 11.724 2.641 1.00 0.00 C ATOM 1238 OH TYR A 84 17.907 11.489 3.045 1.00 0.00 O ATOM 0 H TYR A 84 12.192 9.691 2.789 1.00 0.00 H new ATOM 0 HA TYR A 84 11.295 11.762 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.538 12.400 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.311 13.490 1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.726 13.059 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.596 11.299 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.105 12.618 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.973 10.864 0.728 1.00 0.00 H new ATOM 0 HH TYR A 84 18.403 11.050 2.323 1.00 0.00 H new ATOM 1248 N VAL A 85 9.386 10.621 1.397 1.00 0.00 N ATOM 1249 CA VAL A 85 8.121 10.556 0.684 1.00 0.00 C ATOM 1250 C VAL A 85 7.041 10.007 1.619 1.00 0.00 C ATOM 1251 O VAL A 85 7.234 8.972 2.255 1.00 0.00 O ATOM 1252 CB VAL A 85 8.283 9.730 -0.593 1.00 0.00 C ATOM 1253 CG1 VAL A 85 7.212 10.098 -1.623 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.686 9.894 -1.179 1.00 0.00 C ATOM 0 H VAL A 85 9.520 9.890 2.096 1.00 0.00 H new ATOM 0 HA VAL A 85 7.806 11.552 0.373 1.00 0.00 H new ATOM 0 HB VAL A 85 8.151 8.680 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.349 9.497 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.224 9.905 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.299 11.154 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.774 9.296 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.860 10.943 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.426 9.560 -0.451 1.00 0.00 H new ATOM 1264 N ASN A 86 5.929 10.725 1.672 1.00 0.00 N ATOM 1265 CA ASN A 86 4.818 10.322 2.518 1.00 0.00 C ATOM 1266 C ASN A 86 3.569 10.132 1.656 1.00 0.00 C ATOM 1267 O ASN A 86 3.356 10.868 0.693 1.00 0.00 O ATOM 1268 CB ASN A 86 4.510 11.392 3.567 1.00 0.00 C ATOM 1269 CG ASN A 86 3.396 10.931 4.510 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.417 11.621 4.741 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.599 9.728 5.039 1.00 0.00 N ATOM 0 H ASN A 86 5.773 11.583 1.143 1.00 0.00 H new ATOM 0 HA ASN A 86 5.094 9.394 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.410 11.613 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.213 12.317 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.913 9.331 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.441 9.203 4.803 1.00 0.00 H new ATOM 1278 N TYR A 87 2.775 9.140 2.032 1.00 0.00 N ATOM 1279 CA TYR A 87 1.552 8.844 1.305 1.00 0.00 C ATOM 1280 C TYR A 87 0.837 7.633 1.907 1.00 0.00 C ATOM 1281 O TYR A 87 1.385 6.948 2.769 1.00 0.00 O ATOM 1282 CB TYR A 87 1.982 8.509 -0.125 1.00 0.00 C ATOM 1283 CG TYR A 87 3.308 7.751 -0.214 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.496 6.601 0.525 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.315 8.217 -1.034 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.744 5.887 0.441 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.563 7.503 -1.119 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.716 6.373 -0.377 1.00 0.00 C ATOM 1289 OH TYR A 87 6.894 5.699 -0.457 1.00 0.00 O ATOM 0 H TYR A 87 2.955 8.531 2.830 1.00 0.00 H new ATOM 0 HA TYR A 87 0.865 9.690 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.202 7.913 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.065 9.434 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.707 6.236 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.167 9.117 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.904 4.986 1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.359 7.857 -1.757 1.00 0.00 H new ATOM 0 HH TYR A 87 7.626 6.286 -0.174 1.00 0.00 H new ATOM 1299 N SER A 88 -0.378 7.405 1.428 1.00 0.00 N ATOM 1300 CA SER A 88 -1.174 6.288 1.908 1.00 0.00 C ATOM 1301 C SER A 88 -1.250 5.200 0.835 1.00 0.00 C ATOM 1302 O SER A 88 -0.668 5.342 -0.240 1.00 0.00 O ATOM 1303 CB SER A 88 -2.581 6.744 2.302 1.00 0.00 C ATOM 1304 OG SER A 88 -3.585 6.126 1.503 1.00 0.00 O ATOM 0 H SER A 88 -0.830 7.975 0.713 1.00 0.00 H new ATOM 0 HA SER A 88 -0.691 5.880 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.758 6.509 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.653 7.827 2.201 1.00 0.00 H new ATOM 0 HG SER A 88 -3.812 6.713 0.751 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.972 4.139 1.163 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.132 3.028 0.241 1.00 0.00 C ATOM 1312 C PHE A 89 -3.567 2.498 0.264 1.00 0.00 C ATOM 1313 O PHE A 89 -4.064 2.086 1.310 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.185 1.920 0.707 1.00 0.00 C ATOM 1315 CG PHE A 89 0.296 2.301 0.646 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.906 2.467 -0.558 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.002 2.473 1.796 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.280 2.820 -0.615 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.376 2.826 1.739 1.00 0.00 C ATOM 1320 CZ PHE A 89 2.986 2.992 0.535 1.00 0.00 C ATOM 0 H PHE A 89 -2.453 4.025 2.055 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.909 3.353 -0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.438 1.647 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.348 1.035 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.345 2.330 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.517 2.341 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.765 2.952 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.937 2.963 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.031 3.260 0.492 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.192 2.527 -0.904 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.561 2.055 -1.032 1.00 0.00 C ATOM 1332 C ARG A 90 -5.620 0.846 -1.968 1.00 0.00 C ATOM 1333 O ARG A 90 -5.067 0.879 -3.066 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.475 3.156 -1.573 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.154 3.465 -3.036 1.00 0.00 C ATOM 1336 CD ARG A 90 -7.012 4.621 -3.554 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.544 4.295 -4.896 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.414 5.063 -5.566 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.856 6.206 -5.024 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.843 4.688 -6.779 1.00 0.00 N ATOM 0 H ARG A 90 -3.776 2.870 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.907 1.767 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.516 2.846 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.358 4.058 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.098 3.718 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.327 2.578 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.834 4.812 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.417 5.533 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.229 3.432 -5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.530 6.492 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.518 6.790 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.507 3.818 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.505 5.273 -7.289 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.296 -0.192 -1.499 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.435 -1.409 -2.281 1.00 0.00 C ATOM 1356 C VAL A 91 -7.832 -1.452 -2.905 1.00 0.00 C ATOM 1357 O VAL A 91 -8.804 -1.017 -2.291 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.133 -2.629 -1.408 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.293 -3.926 -2.204 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.734 -2.531 -0.796 1.00 0.00 C ATOM 0 H VAL A 91 -6.753 -0.216 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.713 -1.423 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.856 -2.645 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.073 -4.778 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.316 -4.004 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.604 -3.922 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.544 -3.410 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.991 -2.478 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.669 -1.635 -0.179 1.00 0.00 H new ATOM 1370 N MET A 92 -7.886 -1.982 -4.119 1.00 0.00 N ATOM 1371 CA MET A 92 -9.147 -2.088 -4.833 1.00 0.00 C ATOM 1372 C MET A 92 -9.376 -3.516 -5.332 1.00 0.00 C ATOM 1373 O MET A 92 -8.422 -4.245 -5.596 1.00 0.00 O ATOM 1374 CB MET A 92 -9.142 -1.126 -6.023 1.00 0.00 C ATOM 1375 CG MET A 92 -9.315 0.322 -5.558 1.00 0.00 C ATOM 1376 SD MET A 92 -8.197 1.388 -6.453 1.00 0.00 S ATOM 1377 CE MET A 92 -6.651 0.929 -5.687 1.00 0.00 C ATOM 0 H MET A 92 -7.077 -2.342 -4.625 1.00 0.00 H new ATOM 0 HA MET A 92 -9.954 -1.829 -4.148 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.206 -1.226 -6.572 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.945 -1.389 -6.711 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.344 0.644 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.121 0.395 -4.488 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.063 1.825 -5.488 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.850 0.409 -4.750 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.095 0.272 -6.355 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.647 -3.872 -5.445 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.014 -5.200 -5.908 1.00 0.00 C ATOM 1389 C ALA A 93 -11.815 -5.080 -7.206 1.00 0.00 C ATOM 1390 O ALA A 93 -12.727 -4.260 -7.303 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.791 -5.927 -4.808 1.00 0.00 C ATOM 0 H ALA A 93 -11.436 -3.264 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.124 -5.791 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.067 -6.923 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.168 -6.012 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.693 -5.364 -4.567 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.446 -5.909 -8.171 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.118 -5.907 -9.458 1.00 0.00 C ATOM 1399 C VAL A 94 -12.529 -7.336 -9.817 1.00 0.00 C ATOM 1400 O VAL A 94 -11.720 -8.259 -9.731 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.222 -5.259 -10.516 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.045 -4.776 -11.711 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.404 -4.114 -9.914 1.00 0.00 C ATOM 0 H VAL A 94 -10.689 -6.587 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.028 -5.309 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.525 -6.017 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.384 -4.320 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.562 -5.623 -12.163 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.777 -4.041 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.776 -3.670 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.078 -3.356 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.775 -4.499 -9.111 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.786 -7.475 -10.213 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.314 -8.776 -10.585 1.00 0.00 C ATOM 1415 C ASN A 95 -15.070 -8.655 -11.910 1.00 0.00 C ATOM 1416 O ASN A 95 -14.961 -7.643 -12.601 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.291 -9.297 -9.530 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.516 -8.386 -9.420 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.788 -7.562 -10.278 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.238 -8.581 -8.320 1.00 0.00 N ATOM 0 H ASN A 95 -14.454 -6.707 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.476 -9.467 -10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.607 -10.308 -9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.790 -9.357 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.076 -8.024 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.954 -9.288 -7.642 1.00 0.00 H new ATOM 1427 N SER A 96 -15.818 -9.702 -12.226 1.00 0.00 N ATOM 1428 CA SER A 96 -16.591 -9.725 -13.456 1.00 0.00 C ATOM 1429 C SER A 96 -17.469 -8.476 -13.546 1.00 0.00 C ATOM 1430 O SER A 96 -17.647 -7.914 -14.626 1.00 0.00 O ATOM 1431 CB SER A 96 -17.453 -10.987 -13.540 1.00 0.00 C ATOM 1432 OG SER A 96 -17.495 -11.517 -14.862 1.00 0.00 O ATOM 0 H SER A 96 -15.905 -10.540 -11.652 1.00 0.00 H new ATOM 0 HA SER A 96 -15.897 -9.734 -14.296 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.059 -11.741 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.466 -10.757 -13.209 1.00 0.00 H new ATOM 0 HG SER A 96 -18.053 -12.322 -14.874 1.00 0.00 H new ATOM 1438 N ILE A 97 -17.995 -8.077 -12.397 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.851 -6.904 -12.333 1.00 0.00 C ATOM 1440 C ILE A 97 -18.041 -5.666 -12.725 1.00 0.00 C ATOM 1441 O ILE A 97 -18.165 -5.168 -13.843 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.510 -6.796 -10.957 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.235 -8.094 -10.593 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.439 -5.582 -10.887 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.512 -8.259 -11.420 1.00 0.00 C ATOM 0 H ILE A 97 -17.845 -8.545 -11.503 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.670 -6.990 -13.047 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.727 -6.645 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.574 -8.944 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.483 -8.091 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.894 -5.529 -9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.865 -4.674 -11.072 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.220 -5.677 -11.641 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.008 -9.189 -11.142 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.181 -7.420 -11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.258 -8.286 -12.480 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.231 -5.205 -11.784 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.402 -4.035 -12.017 1.00 0.00 C ATOM 1459 C GLY A 98 -15.413 -3.826 -10.868 1.00 0.00 C ATOM 1460 O GLY A 98 -15.138 -4.751 -10.105 1.00 0.00 O ATOM 0 H GLY A 98 -17.131 -5.621 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.857 -4.152 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.033 -3.153 -12.123 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.905 -2.605 -10.781 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.953 -2.263 -9.739 1.00 0.00 C ATOM 1466 C LYS A 99 -14.687 -1.563 -8.594 1.00 0.00 C ATOM 1467 O LYS A 99 -15.431 -0.609 -8.819 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.795 -1.447 -10.317 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.784 -1.081 -9.228 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.177 0.299 -9.485 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.398 0.320 -10.802 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.902 1.684 -11.089 1.00 0.00 N ATOM 0 H LYS A 99 -15.135 -1.840 -11.416 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.501 -3.165 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.299 -2.018 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.181 -0.539 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.273 -1.091 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.993 -1.830 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.968 1.048 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.514 0.567 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.559 -0.374 -10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.039 -0.019 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.376 1.680 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.707 2.338 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.274 1.994 -10.320 1.00 0.00 H new ATOM 1486 N SER A 100 -14.453 -2.063 -7.389 1.00 0.00 N ATOM 1487 CA SER A 100 -15.082 -1.497 -6.208 1.00 0.00 C ATOM 1488 C SER A 100 -14.323 -0.247 -5.759 1.00 0.00 C ATOM 1489 O SER A 100 -13.333 0.139 -6.378 1.00 0.00 O ATOM 1490 CB SER A 100 -15.141 -2.520 -5.072 1.00 0.00 C ATOM 1491 OG SER A 100 -13.851 -2.795 -4.534 1.00 0.00 O ATOM 0 H SER A 100 -13.836 -2.854 -7.206 1.00 0.00 H new ATOM 0 HA SER A 100 -16.105 -1.220 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.792 -2.146 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.585 -3.445 -5.440 1.00 0.00 H new ATOM 0 HG SER A 100 -13.879 -3.636 -4.032 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.817 0.351 -4.684 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.197 1.550 -4.145 1.00 0.00 C ATOM 1499 C LEU A 101 -12.855 1.183 -3.509 1.00 0.00 C ATOM 1500 O LEU A 101 -12.606 0.017 -3.205 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.155 2.264 -3.190 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.253 3.105 -3.845 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.275 3.577 -2.809 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.653 4.272 -4.632 1.00 0.00 C ATOM 0 H LEU A 101 -15.638 0.028 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.988 2.263 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.629 1.515 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.570 2.912 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.786 2.476 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.044 4.172 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.736 2.712 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.774 4.184 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.454 4.854 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.080 4.909 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.997 3.886 -5.412 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.003 2.226 -3.322 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.692 2.025 -2.728 1.00 0.00 C ATOM 1518 C PRO A 102 -10.803 1.801 -1.218 1.00 0.00 C ATOM 1519 O PRO A 102 -11.658 2.392 -0.560 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.902 3.274 -3.086 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.933 4.325 -3.464 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.264 3.620 -3.670 1.00 0.00 C ATOM 0 HA PRO A 102 -10.192 1.132 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.295 3.607 -2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.220 3.081 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.017 5.077 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.632 4.845 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.041 4.048 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.606 3.713 -4.701 1.00 0.00 H new ATOM 1530 N SER A 103 -9.927 0.945 -0.714 1.00 0.00 N ATOM 1531 CA SER A 103 -9.916 0.635 0.706 1.00 0.00 C ATOM 1532 C SER A 103 -9.925 1.927 1.524 1.00 0.00 C ATOM 1533 O SER A 103 -9.453 2.964 1.059 1.00 0.00 O ATOM 1534 CB SER A 103 -8.700 -0.218 1.074 1.00 0.00 C ATOM 1535 OG SER A 103 -7.498 0.548 1.096 1.00 0.00 O ATOM 0 H SER A 103 -9.220 0.456 -1.263 1.00 0.00 H new ATOM 0 HA SER A 103 -10.813 0.060 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.858 -0.672 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.598 -1.032 0.357 1.00 0.00 H new ATOM 0 HG SER A 103 -7.479 1.104 1.903 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.467 1.824 2.728 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.544 2.972 3.616 1.00 0.00 C ATOM 1543 C GLU A 104 -9.306 3.856 3.449 1.00 0.00 C ATOM 1544 O GLU A 104 -9.364 4.894 2.792 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.710 2.530 5.071 1.00 0.00 C ATOM 1546 CG GLU A 104 -12.016 1.757 5.263 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.858 0.672 6.331 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.045 -0.247 6.090 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.553 0.786 7.363 1.00 0.00 O ATOM 0 H GLU A 104 -10.858 0.963 3.110 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.423 3.557 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.867 1.904 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.701 3.403 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.811 2.445 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.316 1.302 4.319 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.215 3.411 4.055 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.965 4.148 3.981 1.00 0.00 C ATOM 1558 C ALA A 105 -6.033 3.677 5.100 1.00 0.00 C ATOM 1559 O ALA A 105 -6.227 4.028 6.263 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.252 5.649 4.055 1.00 0.00 C ATOM 0 H ALA A 105 -8.171 2.550 4.599 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.463 3.958 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.314 6.202 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.894 5.938 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.753 5.878 4.996 1.00 0.00 H new ATOM 1566 N SER A 106 -5.043 2.889 4.709 1.00 0.00 N ATOM 1567 CA SER A 106 -4.081 2.366 5.664 1.00 0.00 C ATOM 1568 C SER A 106 -3.346 3.519 6.352 1.00 0.00 C ATOM 1569 O SER A 106 -3.537 4.681 5.996 1.00 0.00 O ATOM 1570 CB SER A 106 -3.080 1.430 4.983 1.00 0.00 C ATOM 1571 OG SER A 106 -2.106 2.148 4.229 1.00 0.00 O ATOM 0 H SER A 106 -4.886 2.600 3.744 1.00 0.00 H new ATOM 0 HA SER A 106 -4.623 1.790 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.579 0.823 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.614 0.744 4.326 1.00 0.00 H new ATOM 0 HG SER A 106 -1.277 2.217 4.747 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.522 3.157 7.324 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.758 4.146 8.064 1.00 0.00 C ATOM 1579 C GLU A 107 -0.870 4.952 7.114 1.00 0.00 C ATOM 1580 O GLU A 107 -0.704 4.583 5.952 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.925 3.486 9.165 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.149 2.285 8.619 1.00 0.00 C ATOM 1583 CD GLU A 107 1.309 2.319 9.082 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.512 2.466 10.307 1.00 0.00 O ATOM 1585 OE2 GLU A 107 2.187 2.196 8.202 1.00 0.00 O ATOM 0 H GLU A 107 -2.367 2.192 7.616 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.458 4.830 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.230 4.213 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.578 3.164 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.619 1.361 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.189 2.286 7.530 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.322 6.036 7.642 1.00 0.00 N ATOM 1593 CA GLN A 108 0.545 6.896 6.855 1.00 0.00 C ATOM 1594 C GLN A 108 1.997 6.429 6.965 1.00 0.00 C ATOM 1595 O GLN A 108 2.692 6.768 7.922 1.00 0.00 O ATOM 1596 CB GLN A 108 0.405 8.358 7.286 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.505 9.128 6.326 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.206 10.627 6.372 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.508 11.118 7.231 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.790 11.325 5.402 1.00 0.00 N ATOM 0 H GLN A 108 -0.462 6.339 8.606 1.00 0.00 H new ATOM 0 HA GLN A 108 0.240 6.829 5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.002 8.406 8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.388 8.828 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.366 8.757 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.548 8.953 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.376 10.851 4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.652 12.334 5.346 1.00 0.00 H new ATOM 1609 N TYR A 109 2.414 5.658 5.971 1.00 0.00 N ATOM 1610 CA TYR A 109 3.772 5.141 5.944 1.00 0.00 C ATOM 1611 C TYR A 109 4.753 6.204 5.445 1.00 0.00 C ATOM 1612 O TYR A 109 4.656 6.658 4.306 1.00 0.00 O ATOM 1613 CB TYR A 109 3.758 3.973 4.957 1.00 0.00 C ATOM 1614 CG TYR A 109 4.892 2.967 5.166 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.164 3.414 5.462 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.644 1.614 5.060 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.232 2.468 5.659 1.00 0.00 C ATOM 1618 CE2 TYR A 109 5.711 0.668 5.258 1.00 0.00 C ATOM 1619 CZ TYR A 109 6.953 1.142 5.547 1.00 0.00 C ATOM 1620 OH TYR A 109 7.961 0.248 5.734 1.00 0.00 O ATOM 0 H TYR A 109 1.835 5.379 5.179 1.00 0.00 H new ATOM 0 HA TYR A 109 4.089 4.841 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.804 3.452 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.818 4.367 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.358 4.473 5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.649 1.264 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.232 2.804 5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.530 -0.394 5.179 1.00 0.00 H new ATOM 0 HH TYR A 109 7.615 -0.662 5.624 1.00 0.00 H new ATOM 1630 N LEU A 110 5.677 6.569 6.322 1.00 0.00 N ATOM 1631 CA LEU A 110 6.675 7.569 5.984 1.00 0.00 C ATOM 1632 C LEU A 110 8.064 6.926 6.009 1.00 0.00 C ATOM 1633 O LEU A 110 8.495 6.412 7.040 1.00 0.00 O ATOM 1634 CB LEU A 110 6.545 8.787 6.901 1.00 0.00 C ATOM 1635 CG LEU A 110 7.248 10.061 6.429 1.00 0.00 C ATOM 1636 CD1 LEU A 110 8.619 10.208 7.093 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.343 10.101 4.903 1.00 0.00 C ATOM 0 H LEU A 110 5.755 6.190 7.266 1.00 0.00 H new ATOM 0 HA LEU A 110 6.514 7.942 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.485 9.007 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.938 8.521 7.882 1.00 0.00 H new ATOM 0 HG LEU A 110 6.648 10.917 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.098 11.122 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.496 10.257 8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.241 9.350 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.847 11.017 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.909 9.239 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.341 10.076 4.475 1.00 0.00 H new