USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 25 GLN : amide:sc= -0.238 K(o=-0.29,f=-3.8!) USER MOD Set 1.2: A 97 CYS SG : rot 180:sc= -0.0494 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -175:sc=0.000774 (180deg=0.000147) USER MOD Set 2.2: A 78 THR OG1 : rot -160:sc= -0.41 USER MOD Set 3.1: A 18 TYR OH : rot -16:sc= -0.191 USER MOD Set 3.2: A 75 THR OG1 : rot -169:sc= 0.893 USER MOD Single : A 11 ASN : amide:sc= 0.541 K(o=0.54,f=-4.5!) USER MOD Single : A 23 THR OG1 : rot 3:sc= 0.99 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0363 (180deg=-0.207) USER MOD Single : A 29 TYR OH : rot 130:sc= 0.503 USER MOD Single : A 32 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.48) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 79 TYR OH : rot -15:sc= -0.1 USER MOD Single : A 81 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.036) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 107:sc= 0.699 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 128:sc= 1.06 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 103 CYS SG : rot 177:sc= -0.3 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0696) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 96:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.801 8.323 1.014 1.00 0.00 N ATOM 131 CA ASN A 11 -12.375 7.817 2.328 1.00 0.00 C ATOM 132 C ASN A 11 -13.517 7.804 3.330 1.00 0.00 C ATOM 133 O ASN A 11 -13.327 7.458 4.495 1.00 0.00 O ATOM 134 CB ASN A 11 -11.212 8.655 2.885 1.00 0.00 C ATOM 135 CG ASN A 11 -11.609 10.090 3.203 1.00 0.00 C ATOM 136 OD1 ASN A 11 -12.075 10.397 4.307 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.412 10.978 2.249 1.00 0.00 N ATOM 0 HA ASN A 11 -12.042 6.790 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.831 8.181 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.397 8.662 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.646 11.958 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.025 10.685 1.352 1.00 0.00 H new ATOM 144 N ALA A 12 -14.694 8.183 2.883 1.00 0.00 N ATOM 145 CA ALA A 12 -15.851 8.200 3.750 1.00 0.00 C ATOM 146 C ALA A 12 -16.397 6.793 3.950 1.00 0.00 C ATOM 147 O ALA A 12 -16.615 6.056 2.982 1.00 0.00 O ATOM 148 CB ALA A 12 -16.925 9.116 3.184 1.00 0.00 C ATOM 0 H ALA A 12 -14.875 8.483 1.925 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.545 8.586 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.789 9.118 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.531 10.129 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.225 8.759 2.199 1.00 0.00 H new ATOM 154 N VAL A 13 -16.624 6.429 5.194 1.00 0.00 N ATOM 155 CA VAL A 13 -17.162 5.122 5.518 1.00 0.00 C ATOM 156 C VAL A 13 -18.398 5.254 6.375 1.00 0.00 C ATOM 157 O VAL A 13 -18.628 6.299 6.996 1.00 0.00 O ATOM 158 CB VAL A 13 -16.131 4.229 6.263 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.936 3.932 5.383 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.685 4.878 7.566 1.00 0.00 C ATOM 0 H VAL A 13 -16.443 7.023 6.003 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.410 4.645 4.570 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.622 3.286 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.230 3.306 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.266 3.410 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.450 4.866 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.964 4.232 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.222 5.841 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.549 5.026 8.213 1.00 0.00 H new ATOM 170 N VAL A 14 -19.193 4.216 6.400 1.00 0.00 N ATOM 171 CA VAL A 14 -20.383 4.192 7.206 1.00 0.00 C ATOM 172 C VAL A 14 -20.211 3.171 8.307 1.00 0.00 C ATOM 173 O VAL A 14 -20.024 1.984 8.034 1.00 0.00 O ATOM 174 CB VAL A 14 -21.635 3.821 6.370 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.889 3.835 7.236 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.794 4.761 5.185 1.00 0.00 C ATOM 0 H VAL A 14 -19.033 3.364 5.862 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.532 5.190 7.619 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.495 2.810 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.754 3.572 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.781 3.112 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.030 4.831 7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.679 4.480 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.903 5.784 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.914 4.693 4.546 1.00 0.00 H new ATOM 186 N VAL A 15 -20.247 3.624 9.538 1.00 0.00 N ATOM 187 CA VAL A 15 -20.122 2.723 10.655 1.00 0.00 C ATOM 188 C VAL A 15 -21.425 2.703 11.425 1.00 0.00 C ATOM 189 O VAL A 15 -21.935 3.753 11.827 1.00 0.00 O ATOM 190 CB VAL A 15 -18.965 3.126 11.600 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.808 2.103 12.714 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.667 3.269 10.821 1.00 0.00 C ATOM 0 H VAL A 15 -20.361 4.606 9.789 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.895 1.731 10.264 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.205 4.090 12.049 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.990 2.402 13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.732 2.047 13.289 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.589 1.126 12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.864 3.553 11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.421 2.319 10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.784 4.038 10.057 1.00 0.00 H new ATOM 202 N PHE A 16 -21.956 1.523 11.626 1.00 0.00 N ATOM 203 CA PHE A 16 -23.227 1.361 12.295 1.00 0.00 C ATOM 204 C PHE A 16 -23.204 0.128 13.185 1.00 0.00 C ATOM 205 O PHE A 16 -22.276 -0.680 13.111 1.00 0.00 O ATOM 206 CB PHE A 16 -24.367 1.271 11.255 1.00 0.00 C ATOM 207 CG PHE A 16 -24.249 0.107 10.298 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.815 -1.122 10.602 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.573 0.248 9.095 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.709 -2.185 9.726 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.465 -0.811 8.216 1.00 0.00 C ATOM 212 CZ PHE A 16 -24.034 -2.030 8.532 1.00 0.00 C ATOM 0 H PHE A 16 -21.522 0.648 11.332 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.407 2.230 12.927 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.318 1.197 11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.392 2.197 10.680 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.345 -1.250 11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.126 1.198 8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.154 -3.137 9.975 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.936 -0.687 7.282 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.951 -2.860 7.846 1.00 0.00 H new ATOM 222 N GLY A 17 -24.214 -0.009 14.023 1.00 0.00 N ATOM 223 CA GLY A 17 -24.280 -1.148 14.914 1.00 0.00 C ATOM 224 C GLY A 17 -24.310 -0.735 16.367 1.00 0.00 C ATOM 225 O GLY A 17 -24.582 -1.547 17.245 1.00 0.00 O ATOM 0 H GLY A 17 -24.991 0.647 14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.170 -1.734 14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.420 -1.794 14.739 1.00 0.00 H new ATOM 229 N TYR A 18 -24.040 0.536 16.617 1.00 0.00 N ATOM 230 CA TYR A 18 -24.052 1.062 17.969 1.00 0.00 C ATOM 231 C TYR A 18 -25.180 2.070 18.149 1.00 0.00 C ATOM 232 O TYR A 18 -26.025 2.227 17.264 1.00 0.00 O ATOM 233 CB TYR A 18 -22.683 1.658 18.357 1.00 0.00 C ATOM 234 CG TYR A 18 -22.114 2.684 17.388 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.425 4.039 17.495 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.245 2.295 16.379 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.883 4.964 16.623 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.707 3.214 15.505 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.025 4.545 15.631 1.00 0.00 C ATOM 240 OH TYR A 18 -20.481 5.460 14.762 1.00 0.00 O ATOM 0 H TYR A 18 -23.810 1.222 15.899 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.240 0.232 18.650 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.774 2.123 19.338 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.967 0.842 18.456 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.099 4.370 18.271 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -20.985 1.252 16.277 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.131 6.011 16.719 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.037 2.889 14.723 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.986 6.299 14.812 1.00 0.00 H new ATOM 250 N ARG A 19 -25.202 2.738 19.293 1.00 0.00 N ATOM 251 CA ARG A 19 -26.267 3.678 19.603 1.00 0.00 C ATOM 252 C ARG A 19 -25.711 4.968 20.202 1.00 0.00 C ATOM 253 O ARG A 19 -24.526 5.071 20.479 1.00 0.00 O ATOM 254 CB ARG A 19 -27.274 3.036 20.562 1.00 0.00 C ATOM 255 CG ARG A 19 -26.700 2.677 21.929 1.00 0.00 C ATOM 256 CD ARG A 19 -27.752 2.020 22.804 1.00 0.00 C ATOM 257 NE ARG A 19 -27.235 1.640 24.122 1.00 0.00 N ATOM 258 CZ ARG A 19 -27.673 0.583 24.813 1.00 0.00 C ATOM 259 NH1 ARG A 19 -28.587 -0.228 24.288 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.183 0.328 26.019 1.00 0.00 N ATOM 0 H ARG A 19 -24.494 2.646 20.021 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.774 3.933 18.673 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.112 3.719 20.701 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.673 2.133 20.100 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -25.852 2.004 21.806 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.325 3.576 22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.592 2.703 22.931 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.136 1.133 22.300 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.500 2.214 24.535 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.956 -0.044 23.355 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -28.919 -1.034 24.818 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.471 0.939 26.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.518 -0.479 26.545 1.00 0.00 H new ATOM 274 N GLU A 20 -26.581 5.937 20.399 1.00 0.00 N ATOM 275 CA GLU A 20 -26.204 7.236 20.949 1.00 0.00 C ATOM 276 C GLU A 20 -25.765 7.117 22.417 1.00 0.00 C ATOM 277 O GLU A 20 -24.799 7.752 22.844 1.00 0.00 O ATOM 278 CB GLU A 20 -27.397 8.190 20.836 1.00 0.00 C ATOM 279 CG GLU A 20 -27.150 9.584 21.382 1.00 0.00 C ATOM 280 CD GLU A 20 -28.386 10.449 21.308 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.292 10.267 22.155 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.465 11.318 20.415 1.00 0.00 O ATOM 0 H GLU A 20 -27.574 5.852 20.184 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.358 7.623 20.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.682 8.271 19.787 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.245 7.753 21.364 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.818 9.514 22.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.344 10.056 20.820 1.00 0.00 H new ATOM 289 N ALA A 21 -26.458 6.262 23.164 1.00 0.00 N ATOM 290 CA ALA A 21 -26.242 6.105 24.608 1.00 0.00 C ATOM 291 C ALA A 21 -24.844 5.581 24.975 1.00 0.00 C ATOM 292 O ALA A 21 -24.439 5.658 26.133 1.00 0.00 O ATOM 293 CB ALA A 21 -27.313 5.200 25.195 1.00 0.00 C ATOM 0 H ALA A 21 -27.187 5.655 22.789 1.00 0.00 H new ATOM 0 HA ALA A 21 -26.311 7.104 25.040 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -27.147 5.088 26.266 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -28.295 5.640 25.024 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.266 4.222 24.716 1.00 0.00 H new ATOM 299 N ILE A 22 -24.109 5.067 24.008 1.00 0.00 N ATOM 300 CA ILE A 22 -22.779 4.518 24.283 1.00 0.00 C ATOM 301 C ILE A 22 -21.677 5.537 23.974 1.00 0.00 C ATOM 302 O ILE A 22 -20.535 5.162 23.707 1.00 0.00 O ATOM 303 CB ILE A 22 -22.529 3.194 23.494 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.684 3.390 21.976 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.464 2.099 23.985 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.387 3.669 21.251 1.00 0.00 C ATOM 0 H ILE A 22 -24.399 5.014 23.032 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.745 4.290 25.348 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.498 2.893 23.681 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.140 2.496 21.550 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.373 4.216 21.796 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.277 1.183 23.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.288 1.919 25.045 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.498 2.410 23.837 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.585 3.794 20.186 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.938 4.580 21.646 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.702 2.834 21.397 1.00 0.00 H new ATOM 318 N THR A 23 -22.030 6.829 24.075 1.00 0.00 N ATOM 319 CA THR A 23 -21.123 7.937 23.737 1.00 0.00 C ATOM 320 C THR A 23 -19.707 7.737 24.288 1.00 0.00 C ATOM 321 O THR A 23 -18.795 7.440 23.535 1.00 0.00 O ATOM 322 CB THR A 23 -21.670 9.287 24.249 1.00 0.00 C ATOM 323 OG1 THR A 23 -23.015 9.489 23.794 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.803 10.441 23.771 1.00 0.00 C ATOM 0 H THR A 23 -22.950 7.134 24.393 1.00 0.00 H new ATOM 0 HA THR A 23 -21.068 7.948 22.648 1.00 0.00 H new ATOM 0 HB THR A 23 -21.655 9.258 25.339 1.00 0.00 H new ATOM 0 HG1 THR A 23 -23.312 8.702 23.291 1.00 0.00 H new ATOM 0 HG21 THR A 23 -21.209 11.381 24.145 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.787 10.311 24.144 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.790 10.459 22.681 1.00 0.00 H new ATOM 332 N LYS A 24 -19.553 7.859 25.600 1.00 0.00 N ATOM 333 CA LYS A 24 -18.245 7.768 26.257 1.00 0.00 C ATOM 334 C LYS A 24 -17.543 6.425 26.040 1.00 0.00 C ATOM 335 O LYS A 24 -16.310 6.362 26.045 1.00 0.00 O ATOM 336 CB LYS A 24 -18.382 8.065 27.746 1.00 0.00 C ATOM 337 CG LYS A 24 -17.739 9.372 28.196 1.00 0.00 C ATOM 338 CD LYS A 24 -18.166 10.576 27.361 1.00 0.00 C ATOM 339 CE LYS A 24 -17.592 11.863 27.941 1.00 0.00 C ATOM 340 NZ LYS A 24 -16.102 11.831 28.034 1.00 0.00 N ATOM 0 H LYS A 24 -20.327 8.024 26.243 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.611 8.520 25.788 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.441 8.090 28.002 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.937 7.244 28.309 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.995 9.554 29.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.655 9.271 28.147 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.826 10.451 26.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.254 10.638 27.332 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.896 12.706 27.320 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.012 12.030 28.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.749 12.780 28.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.815 11.159 28.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.704 11.532 27.121 1.00 0.00 H new ATOM 354 N GLN A 25 -18.315 5.364 25.867 1.00 0.00 N ATOM 355 CA GLN A 25 -17.752 4.024 25.698 1.00 0.00 C ATOM 356 C GLN A 25 -16.846 3.930 24.454 1.00 0.00 C ATOM 357 O GLN A 25 -15.620 3.853 24.570 1.00 0.00 O ATOM 358 CB GLN A 25 -18.868 2.990 25.606 1.00 0.00 C ATOM 359 CG GLN A 25 -19.682 2.835 26.880 1.00 0.00 C ATOM 360 CD GLN A 25 -20.791 1.808 26.736 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.703 0.892 25.924 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.840 1.956 27.521 1.00 0.00 N ATOM 0 H GLN A 25 -19.334 5.400 25.839 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.136 3.819 26.573 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.538 3.267 24.792 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.433 2.025 25.347 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.022 2.541 27.696 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.115 3.798 27.151 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.876 2.731 28.183 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.615 1.296 27.466 1.00 0.00 H new ATOM 371 N ILE A 26 -17.454 3.965 23.271 1.00 0.00 N ATOM 372 CA ILE A 26 -16.703 3.863 22.013 1.00 0.00 C ATOM 373 C ILE A 26 -15.842 5.109 21.762 1.00 0.00 C ATOM 374 O ILE A 26 -14.815 5.045 21.070 1.00 0.00 O ATOM 375 CB ILE A 26 -17.648 3.568 20.792 1.00 0.00 C ATOM 376 CG1 ILE A 26 -18.091 2.095 20.820 1.00 0.00 C ATOM 377 CG2 ILE A 26 -16.994 3.913 19.459 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.998 1.696 19.671 1.00 0.00 C ATOM 0 H ILE A 26 -18.462 4.063 23.152 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.027 3.014 22.116 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.524 4.210 20.886 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.205 1.461 20.806 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.607 1.900 21.760 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.686 3.692 18.646 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.741 4.973 19.442 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.087 3.321 19.335 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.264 0.643 19.766 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -19.903 2.302 19.695 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.479 1.856 18.726 1.00 0.00 H new ATOM 390 N LEU A 27 -16.237 6.218 22.375 1.00 0.00 N ATOM 391 CA LEU A 27 -15.552 7.501 22.205 1.00 0.00 C ATOM 392 C LEU A 27 -14.089 7.381 22.630 1.00 0.00 C ATOM 393 O LEU A 27 -13.196 7.791 21.914 1.00 0.00 O ATOM 394 CB LEU A 27 -16.250 8.550 23.088 1.00 0.00 C ATOM 395 CG LEU A 27 -15.836 10.003 22.917 1.00 0.00 C ATOM 396 CD1 LEU A 27 -16.320 10.528 21.573 1.00 0.00 C ATOM 397 CD2 LEU A 27 -16.378 10.855 24.073 1.00 0.00 C ATOM 0 H LEU A 27 -17.039 6.257 23.004 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.591 7.797 21.157 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.322 8.483 22.905 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.086 8.275 24.130 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.748 10.067 22.937 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.019 11.569 21.459 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.882 9.934 20.771 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.407 10.457 21.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.072 11.892 23.935 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.466 10.796 24.089 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.981 10.482 25.017 1.00 0.00 H new ATOM 409 N ALA A 28 -13.865 6.770 23.780 1.00 0.00 N ATOM 410 CA ALA A 28 -12.524 6.614 24.324 1.00 0.00 C ATOM 411 C ALA A 28 -11.656 5.657 23.497 1.00 0.00 C ATOM 412 O ALA A 28 -10.433 5.812 23.441 1.00 0.00 O ATOM 413 CB ALA A 28 -12.594 6.153 25.772 1.00 0.00 C ATOM 0 H ALA A 28 -14.601 6.370 24.361 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.045 7.592 24.277 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.584 6.040 26.167 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.135 6.892 26.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.113 5.196 25.824 1.00 0.00 H new ATOM 419 N TYR A 29 -12.277 4.665 22.871 1.00 0.00 N ATOM 420 CA TYR A 29 -11.527 3.657 22.115 1.00 0.00 C ATOM 421 C TYR A 29 -11.232 4.097 20.669 1.00 0.00 C ATOM 422 O TYR A 29 -10.097 4.001 20.206 1.00 0.00 O ATOM 423 CB TYR A 29 -12.273 2.314 22.121 1.00 0.00 C ATOM 424 CG TYR A 29 -11.560 1.222 21.354 1.00 0.00 C ATOM 425 CD1 TYR A 29 -10.528 0.492 21.928 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.916 0.932 20.049 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.874 -0.498 21.215 1.00 0.00 C ATOM 428 CE2 TYR A 29 -11.275 -0.049 19.332 1.00 0.00 C ATOM 429 CZ TYR A 29 -10.253 -0.762 19.914 1.00 0.00 C ATOM 430 OH TYR A 29 -9.607 -1.743 19.194 1.00 0.00 O ATOM 0 H TYR A 29 -13.288 4.533 22.868 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.566 3.539 22.616 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -12.413 1.990 23.152 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.266 2.457 21.694 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.231 0.699 22.945 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.716 1.489 19.584 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.073 -1.060 21.673 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.572 -0.259 18.315 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.269 -2.342 18.790 1.00 0.00 H new ATOM 440 N PHE A 30 -12.246 4.583 19.972 1.00 0.00 N ATOM 441 CA PHE A 30 -12.096 4.990 18.570 1.00 0.00 C ATOM 442 C PHE A 30 -11.599 6.422 18.418 1.00 0.00 C ATOM 443 O PHE A 30 -11.391 6.891 17.302 1.00 0.00 O ATOM 444 CB PHE A 30 -13.361 4.729 17.748 1.00 0.00 C ATOM 445 CG PHE A 30 -13.433 3.322 17.208 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.882 3.023 15.971 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.031 2.306 17.928 1.00 0.00 C ATOM 448 CE1 PHE A 30 -12.927 1.741 15.462 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.078 1.015 17.425 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.523 0.734 16.189 1.00 0.00 C ATOM 0 H PHE A 30 -13.186 4.708 20.348 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.315 4.352 18.157 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.237 4.919 18.369 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.400 5.434 16.917 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.410 3.806 15.397 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.466 2.520 18.893 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.496 1.528 14.495 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.548 0.229 17.998 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.557 -0.271 15.796 1.00 0.00 H new ATOM 460 N ALA A 31 -11.455 7.105 19.551 1.00 0.00 N ATOM 461 CA ALA A 31 -10.934 8.491 19.642 1.00 0.00 C ATOM 462 C ALA A 31 -9.779 8.795 18.664 1.00 0.00 C ATOM 463 O ALA A 31 -9.604 9.932 18.245 1.00 0.00 O ATOM 464 CB ALA A 31 -10.457 8.738 21.049 1.00 0.00 C ATOM 0 H ALA A 31 -11.700 6.712 20.460 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.756 9.151 19.366 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.071 9.754 21.129 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.288 8.609 21.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.666 8.029 21.295 1.00 0.00 H new ATOM 470 N GLN A 32 -8.995 7.775 18.320 1.00 0.00 N ATOM 471 CA GLN A 32 -7.877 7.938 17.389 1.00 0.00 C ATOM 472 C GLN A 32 -8.360 8.507 16.050 1.00 0.00 C ATOM 473 O GLN A 32 -7.624 9.205 15.354 1.00 0.00 O ATOM 474 CB GLN A 32 -7.175 6.592 17.168 1.00 0.00 C ATOM 475 CG GLN A 32 -6.013 6.646 16.186 1.00 0.00 C ATOM 476 CD GLN A 32 -4.899 7.571 16.637 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.652 7.735 17.828 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.224 8.182 15.687 1.00 0.00 N ATOM 0 H GLN A 32 -9.113 6.825 18.672 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.168 8.643 17.824 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.809 6.225 18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.907 5.869 16.808 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.612 5.642 16.051 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.381 6.976 15.214 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.460 8.019 14.708 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.465 8.818 15.929 1.00 0.00 H new ATOM 487 N PHE A 33 -9.589 8.190 15.702 1.00 0.00 N ATOM 488 CA PHE A 33 -10.183 8.681 14.481 1.00 0.00 C ATOM 489 C PHE A 33 -10.867 10.018 14.736 1.00 0.00 C ATOM 490 O PHE A 33 -10.742 10.953 13.945 1.00 0.00 O ATOM 491 CB PHE A 33 -11.164 7.660 13.936 1.00 0.00 C ATOM 492 CG PHE A 33 -10.512 6.349 13.602 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.885 6.165 12.382 1.00 0.00 C ATOM 494 CD2 PHE A 33 -10.512 5.307 14.514 1.00 0.00 C ATOM 495 CE1 PHE A 33 -9.275 4.965 12.078 1.00 0.00 C ATOM 496 CE2 PHE A 33 -9.903 4.107 14.217 1.00 0.00 C ATOM 497 CZ PHE A 33 -9.284 3.936 12.998 1.00 0.00 C ATOM 0 H PHE A 33 -10.200 7.588 16.255 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.403 8.835 13.736 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.952 7.492 14.670 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.641 8.062 13.042 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.873 6.969 11.661 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.996 5.436 15.471 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.791 4.831 11.122 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.911 3.303 14.938 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.806 2.997 12.762 1.00 0.00 H new ATOM 507 N GLY A 34 -11.592 10.094 15.843 1.00 0.00 N ATOM 508 CA GLY A 34 -12.207 11.342 16.237 1.00 0.00 C ATOM 509 C GLY A 34 -13.722 11.320 16.213 1.00 0.00 C ATOM 510 O GLY A 34 -14.357 10.900 17.179 1.00 0.00 O ATOM 0 H GLY A 34 -11.765 9.312 16.475 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.874 11.597 17.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.855 12.133 15.575 1.00 0.00 H new ATOM 514 N GLU A 35 -14.297 11.788 15.114 1.00 0.00 N ATOM 515 CA GLU A 35 -15.748 11.880 14.968 1.00 0.00 C ATOM 516 C GLU A 35 -16.416 10.509 15.101 1.00 0.00 C ATOM 517 O GLU A 35 -16.191 9.623 14.294 1.00 0.00 O ATOM 518 CB GLU A 35 -16.107 12.564 13.624 1.00 0.00 C ATOM 519 CG GLU A 35 -15.434 11.951 12.388 1.00 0.00 C ATOM 520 CD GLU A 35 -15.638 12.787 11.131 1.00 0.00 C ATOM 521 OE1 GLU A 35 -15.016 13.861 11.029 1.00 0.00 O ATOM 522 OE2 GLU A 35 -16.424 12.373 10.233 1.00 0.00 O ATOM 0 H GLU A 35 -13.776 12.114 14.300 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.136 12.497 15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -17.188 12.523 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.833 13.617 13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.366 11.842 12.577 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.832 10.950 12.222 1.00 0.00 H new ATOM 529 N ILE A 36 -17.223 10.340 16.160 1.00 0.00 N ATOM 530 CA ILE A 36 -17.927 9.073 16.404 1.00 0.00 C ATOM 531 C ILE A 36 -19.394 9.334 16.770 1.00 0.00 C ATOM 532 O ILE A 36 -20.309 8.935 16.058 1.00 0.00 O ATOM 533 CB ILE A 36 -17.287 8.259 17.574 1.00 0.00 C ATOM 534 CG1 ILE A 36 -15.770 8.073 17.380 1.00 0.00 C ATOM 535 CG2 ILE A 36 -17.966 6.901 17.700 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.386 7.287 16.147 1.00 0.00 C ATOM 0 H ILE A 36 -17.403 11.062 16.858 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.851 8.499 15.481 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.437 8.828 18.492 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.300 9.055 17.330 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.364 7.570 18.257 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.512 6.342 18.518 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.028 7.042 17.902 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.844 6.346 16.770 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.300 7.206 16.091 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.822 6.290 16.201 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.758 7.798 15.259 1.00 0.00 H new ATOM 548 N LEU A 37 -19.594 10.009 17.896 1.00 0.00 N ATOM 549 CA LEU A 37 -20.929 10.299 18.414 1.00 0.00 C ATOM 550 C LEU A 37 -21.056 11.766 18.813 1.00 0.00 C ATOM 551 O LEU A 37 -20.202 12.573 18.471 1.00 0.00 O ATOM 552 CB LEU A 37 -21.232 9.397 19.604 1.00 0.00 C ATOM 553 CG LEU A 37 -21.482 7.931 19.261 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.448 7.100 20.502 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.825 7.763 18.569 1.00 0.00 C ATOM 0 H LEU A 37 -18.837 10.371 18.476 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.654 10.103 17.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.398 9.453 20.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.108 9.787 20.121 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.695 7.599 18.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.628 6.056 20.246 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.471 7.194 20.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.220 7.443 21.191 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.984 6.711 18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.620 8.111 19.228 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -22.836 8.347 17.649 1.00 0.00 H new ATOM 567 N GLU A 38 -22.132 12.092 19.545 1.00 0.00 N ATOM 568 CA GLU A 38 -22.411 13.470 19.987 1.00 0.00 C ATOM 569 C GLU A 38 -21.283 14.019 20.858 1.00 0.00 C ATOM 570 O GLU A 38 -20.885 15.172 20.709 1.00 0.00 O ATOM 571 CB GLU A 38 -23.719 13.508 20.779 1.00 0.00 C ATOM 572 CG GLU A 38 -24.125 14.903 21.240 1.00 0.00 C ATOM 573 CD GLU A 38 -25.344 14.884 22.133 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.178 14.718 23.365 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.469 15.006 21.623 1.00 0.00 O ATOM 0 H GLU A 38 -22.831 11.413 19.847 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.493 14.092 19.096 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.517 13.094 20.163 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.622 12.862 21.652 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.294 15.362 21.775 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.326 15.526 20.369 1.00 0.00 H new ATOM 582 N ASP A 39 -20.789 13.175 21.770 1.00 0.00 N ATOM 583 CA ASP A 39 -19.707 13.542 22.696 1.00 0.00 C ATOM 584 C ASP A 39 -20.192 14.527 23.772 1.00 0.00 C ATOM 585 O ASP A 39 -21.329 15.011 23.733 1.00 0.00 O ATOM 586 CB ASP A 39 -18.488 14.096 21.931 1.00 0.00 C ATOM 587 CG ASP A 39 -17.351 14.530 22.836 1.00 0.00 C ATOM 588 OD1 ASP A 39 -16.983 13.758 23.733 1.00 0.00 O ATOM 589 OD2 ASP A 39 -16.828 15.638 22.652 1.00 0.00 O ATOM 0 H ASP A 39 -21.126 12.220 21.889 1.00 0.00 H new ATOM 0 HA ASP A 39 -19.392 12.634 23.211 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.123 13.333 21.243 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.804 14.946 21.326 1.00 0.00 H new ATOM 594 N LEU A 40 -19.345 14.781 24.738 1.00 0.00 N ATOM 595 CA LEU A 40 -19.650 15.668 25.821 1.00 0.00 C ATOM 596 C LEU A 40 -18.728 16.899 25.788 1.00 0.00 C ATOM 597 O LEU A 40 -19.125 17.961 25.315 1.00 0.00 O ATOM 598 CB LEU A 40 -19.536 14.908 27.146 1.00 0.00 C ATOM 599 CG LEU A 40 -19.683 15.730 28.405 1.00 0.00 C ATOM 600 CD1 LEU A 40 -21.007 16.481 28.411 1.00 0.00 C ATOM 601 CD2 LEU A 40 -19.572 14.844 29.634 1.00 0.00 C ATOM 0 H LEU A 40 -18.413 14.370 24.790 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.673 16.031 25.720 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -20.295 14.126 27.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.566 14.412 27.173 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.876 16.462 28.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.090 17.065 29.327 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -21.051 17.148 27.550 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.830 15.768 28.360 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -19.680 15.452 30.532 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -20.358 14.089 29.610 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.598 14.354 29.643 1.00 0.00 H new ATOM 1035 N SER A 67 -21.056 18.352 13.962 1.00 0.00 N ATOM 1036 CA SER A 67 -20.697 19.214 12.830 1.00 0.00 C ATOM 1037 C SER A 67 -20.606 18.334 11.605 1.00 0.00 C ATOM 1038 O SER A 67 -20.976 18.714 10.501 1.00 0.00 O ATOM 1039 CB SER A 67 -19.346 19.935 13.042 1.00 0.00 C ATOM 1040 OG SER A 67 -19.106 20.893 12.029 1.00 0.00 O ATOM 0 HA SER A 67 -21.456 19.989 12.722 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.342 20.425 14.016 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.539 19.203 13.051 1.00 0.00 H new ATOM 0 HG SER A 67 -18.245 21.333 12.192 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.131 17.132 11.841 1.00 0.00 N ATOM 1047 CA ARG A 68 -19.963 16.142 10.819 1.00 0.00 C ATOM 1048 C ARG A 68 -21.276 15.439 10.513 1.00 0.00 C ATOM 1049 O ARG A 68 -22.160 15.338 11.373 1.00 0.00 O ATOM 1050 CB ARG A 68 -18.902 15.141 11.257 1.00 0.00 C ATOM 1051 CG ARG A 68 -17.503 15.736 11.346 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.000 16.071 9.963 1.00 0.00 C ATOM 1053 NE ARG A 68 -17.163 14.916 9.096 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.893 14.909 7.987 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -18.360 16.042 7.473 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -18.152 13.774 7.388 1.00 0.00 N ATOM 0 H ARG A 68 -19.847 16.816 12.768 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.637 16.633 9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.178 14.734 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -18.889 14.307 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.518 16.633 11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.827 15.029 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.550 16.922 9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.950 16.361 10.006 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.685 14.054 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.159 16.931 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.920 16.023 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.793 12.900 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.712 13.763 6.536 1.00 0.00 H new ATOM 1070 N GLU A 69 -21.385 14.955 9.290 1.00 0.00 N ATOM 1071 CA GLU A 69 -22.596 14.326 8.792 1.00 0.00 C ATOM 1072 C GLU A 69 -22.792 12.925 9.377 1.00 0.00 C ATOM 1073 O GLU A 69 -21.907 12.073 9.292 1.00 0.00 O ATOM 1074 CB GLU A 69 -22.530 14.256 7.263 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.750 13.645 6.601 1.00 0.00 C ATOM 1076 CD GLU A 69 -23.621 13.602 5.095 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -22.594 13.093 4.590 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -24.543 14.071 4.401 1.00 0.00 O ATOM 0 H GLU A 69 -20.628 14.987 8.607 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.450 14.928 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -22.389 15.264 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.651 13.678 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -23.899 12.634 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.635 14.221 6.872 1.00 0.00 H new ATOM 1085 N HIS A 70 -23.955 12.701 9.973 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.296 11.406 10.543 1.00 0.00 C ATOM 1087 C HIS A 70 -25.808 11.217 10.525 1.00 0.00 C ATOM 1088 O HIS A 70 -26.553 12.167 10.277 1.00 0.00 O ATOM 1089 CB HIS A 70 -23.749 11.258 11.979 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.500 12.038 13.020 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.538 11.505 13.749 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -24.351 13.310 13.461 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.998 12.406 14.588 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.298 13.512 14.439 1.00 0.00 N ATOM 0 H HIS A 70 -24.684 13.407 10.074 1.00 0.00 H new ATOM 0 HA HIS A 70 -23.829 10.632 9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -23.766 10.203 12.253 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -22.706 11.574 11.990 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -23.626 14.030 13.111 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.813 12.264 15.283 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -25.435 14.376 14.963 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.259 10.003 10.786 1.00 0.00 N ATOM 1103 CA GLY A 71 -27.681 9.741 10.791 1.00 0.00 C ATOM 1104 C GLY A 71 -28.251 9.720 12.189 1.00 0.00 C ATOM 1105 O GLY A 71 -28.856 10.698 12.635 1.00 0.00 O ATOM 0 H GLY A 71 -25.670 9.197 10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.192 10.504 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -27.874 8.784 10.307 1.00 0.00 H new ATOM 1109 N ARG A 72 -28.049 8.610 12.881 1.00 0.00 N ATOM 1110 CA ARG A 72 -28.538 8.441 14.250 1.00 0.00 C ATOM 1111 C ARG A 72 -27.950 7.203 14.847 1.00 0.00 C ATOM 1112 O ARG A 72 -27.318 7.234 15.893 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.063 8.330 14.274 1.00 0.00 C ATOM 1114 CG ARG A 72 -30.668 8.491 15.660 1.00 0.00 C ATOM 1115 CD ARG A 72 -32.178 8.368 15.619 1.00 0.00 C ATOM 1116 NE ARG A 72 -32.602 7.014 15.263 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.223 6.175 16.097 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -33.550 6.565 17.325 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.519 4.953 15.694 1.00 0.00 N ATOM 0 H ARG A 72 -27.545 7.802 12.517 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.238 9.314 14.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.484 9.088 13.614 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.354 7.360 13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.257 7.734 16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -30.391 9.462 16.070 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.591 8.635 16.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.581 9.077 14.896 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.411 6.689 14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.327 7.510 17.636 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.024 5.919 17.956 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.274 4.654 14.750 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.993 4.308 16.326 1.00 0.00 H new ATOM 1133 N THR A 73 -28.167 6.115 14.173 1.00 0.00 N ATOM 1134 CA THR A 73 -27.689 4.848 14.606 1.00 0.00 C ATOM 1135 C THR A 73 -26.471 4.442 13.781 1.00 0.00 C ATOM 1136 O THR A 73 -25.901 3.357 13.947 1.00 0.00 O ATOM 1137 CB THR A 73 -28.802 3.823 14.467 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.384 3.924 13.153 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.882 4.074 15.507 1.00 0.00 C ATOM 0 H THR A 73 -28.688 6.087 13.297 1.00 0.00 H new ATOM 0 HA THR A 73 -27.387 4.903 15.652 1.00 0.00 H new ATOM 0 HB THR A 73 -28.384 2.827 14.616 1.00 0.00 H new ATOM 0 HG1 THR A 73 -30.101 3.262 13.061 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.673 3.333 15.396 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.451 3.998 16.505 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.298 5.072 15.366 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.086 5.343 12.897 1.00 0.00 N ATOM 1148 CA TRP A 74 -24.952 5.168 12.033 1.00 0.00 C ATOM 1149 C TRP A 74 -24.237 6.500 11.884 1.00 0.00 C ATOM 1150 O TRP A 74 -24.884 7.561 11.850 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.402 4.650 10.656 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.375 5.561 9.953 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.730 5.606 10.124 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.064 6.549 8.957 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.277 6.566 9.308 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.276 7.156 8.579 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -24.878 6.980 8.355 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.336 8.170 7.626 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -24.941 7.985 7.406 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.160 8.569 7.050 1.00 0.00 C ATOM 0 H TRP A 74 -26.568 6.232 12.763 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.274 4.434 12.467 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.524 4.514 10.024 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.861 3.669 10.779 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.289 4.978 10.802 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.268 6.802 9.253 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -23.931 6.537 8.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.276 8.625 7.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.032 8.324 6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.174 9.351 6.305 1.00 0.00 H new ATOM 1171 N THR A 75 -22.935 6.458 11.798 1.00 0.00 N ATOM 1172 CA THR A 75 -22.157 7.663 11.665 1.00 0.00 C ATOM 1173 C THR A 75 -21.241 7.561 10.447 1.00 0.00 C ATOM 1174 O THR A 75 -20.512 6.573 10.282 1.00 0.00 O ATOM 1175 CB THR A 75 -21.318 7.918 12.948 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.176 7.869 14.093 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.634 9.285 12.914 1.00 0.00 C ATOM 0 H THR A 75 -22.387 5.598 11.818 1.00 0.00 H new ATOM 0 HA THR A 75 -22.838 8.503 11.528 1.00 0.00 H new ATOM 0 HB THR A 75 -20.550 7.146 13.001 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.693 8.203 14.878 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.057 9.426 13.828 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.968 9.337 12.053 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.389 10.068 12.837 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.319 8.553 9.576 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.472 8.613 8.403 1.00 0.00 C ATOM 1187 C LYS A 76 -19.154 9.253 8.779 1.00 0.00 C ATOM 1188 O LYS A 76 -19.081 10.458 9.012 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.179 9.392 7.284 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.358 9.646 6.054 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.203 10.340 5.007 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.386 10.729 3.812 1.00 0.00 C ATOM 1193 NZ LYS A 76 -19.605 11.974 4.053 1.00 0.00 N ATOM 0 H LYS A 76 -21.969 9.334 9.664 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.275 7.608 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.075 8.844 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.507 10.351 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.494 10.262 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.976 8.704 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -22.013 9.681 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.663 11.228 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.705 9.917 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.043 10.873 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.121 12.255 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.248 12.735 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.900 11.803 4.798 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.115 8.447 8.824 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.829 8.911 9.290 1.00 0.00 C ATOM 1209 C LEU A 77 -15.977 9.392 8.141 1.00 0.00 C ATOM 1210 O LEU A 77 -15.649 8.630 7.222 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.103 7.802 10.056 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.901 7.129 11.179 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.030 6.165 11.960 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.509 8.160 12.098 1.00 0.00 C ATOM 0 H LEU A 77 -18.137 7.467 8.543 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.000 9.750 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.798 7.035 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.192 8.220 10.484 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.710 6.560 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.619 5.701 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.650 5.394 11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.193 6.706 12.402 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.070 7.659 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.717 8.763 12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.179 8.804 11.529 1.00 0.00 H new ATOM 1226 N THR A 78 -15.665 10.661 8.168 1.00 0.00 N ATOM 1227 CA THR A 78 -14.829 11.269 7.172 1.00 0.00 C ATOM 1228 C THR A 78 -13.505 11.703 7.796 1.00 0.00 C ATOM 1229 O THR A 78 -13.470 12.602 8.621 1.00 0.00 O ATOM 1230 CB THR A 78 -15.560 12.458 6.541 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.745 11.958 5.886 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.681 13.181 5.527 1.00 0.00 C ATOM 0 H THR A 78 -15.988 11.306 8.889 1.00 0.00 H new ATOM 0 HA THR A 78 -14.610 10.545 6.387 1.00 0.00 H new ATOM 0 HB THR A 78 -15.817 13.174 7.322 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.054 12.612 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.232 14.019 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.784 13.552 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.398 12.490 4.733 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.418 11.068 7.395 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.122 11.369 7.989 1.00 0.00 C ATOM 1242 C TYR A 79 -10.275 12.216 7.053 1.00 0.00 C ATOM 1243 O TYR A 79 -9.270 12.789 7.468 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.359 10.078 8.287 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.209 8.934 8.790 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.619 8.863 10.114 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.595 7.913 7.927 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.389 7.806 10.563 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.358 6.857 8.367 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.754 6.807 9.682 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.508 5.748 10.122 1.00 0.00 O ATOM 0 H TYR A 79 -12.402 10.350 6.671 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.308 11.919 8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.847 9.759 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.589 10.292 9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.333 9.644 10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.289 7.951 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.703 7.762 11.595 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.644 6.072 7.683 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.497 5.723 11.102 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.682 12.268 5.778 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.938 12.973 4.722 1.00 0.00 C ATOM 1263 C ALA A 80 -8.620 12.253 4.407 1.00 0.00 C ATOM 1264 O ALA A 80 -7.804 12.736 3.621 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.693 14.439 5.085 1.00 0.00 C ATOM 0 H ALA A 80 -11.538 11.822 5.448 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.554 12.961 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.141 14.926 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.649 14.944 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.114 14.494 6.007 1.00 0.00 H new ATOM 1271 N ASN A 81 -8.435 11.090 5.020 1.00 0.00 N ATOM 1272 CA ASN A 81 -7.242 10.276 4.824 1.00 0.00 C ATOM 1273 C ASN A 81 -7.642 8.867 4.443 1.00 0.00 C ATOM 1274 O ASN A 81 -8.634 8.341 4.946 1.00 0.00 O ATOM 1275 CB ASN A 81 -6.378 10.246 6.093 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.738 11.587 6.426 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.542 11.921 7.594 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.404 12.361 5.409 1.00 0.00 N ATOM 0 H ASN A 81 -9.110 10.684 5.668 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.653 10.720 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.994 9.928 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.594 9.499 5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.969 13.268 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.581 12.052 4.453 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.881 8.259 3.560 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.181 6.913 3.103 1.00 0.00 C ATOM 1287 C HIS A 82 -6.544 5.864 4.016 1.00 0.00 C ATOM 1288 O HIS A 82 -7.006 4.729 4.082 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.721 6.712 1.655 1.00 0.00 C ATOM 1290 CG HIS A 82 -7.193 5.424 1.049 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -8.486 5.228 0.619 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -6.546 4.260 0.821 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -8.613 4.000 0.156 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -7.450 3.392 0.267 1.00 0.00 N ATOM 0 H HIS A 82 -6.048 8.673 3.141 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.263 6.785 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.082 7.543 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.632 6.742 1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.508 4.052 1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.517 3.567 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.254 2.431 -0.014 1.00 0.00 H new ATOM 1302 N SER A 83 -5.490 6.242 4.711 1.00 0.00 N ATOM 1303 CA SER A 83 -4.796 5.316 5.594 1.00 0.00 C ATOM 1304 C SER A 83 -5.711 4.857 6.732 1.00 0.00 C ATOM 1305 O SER A 83 -5.735 3.675 7.094 1.00 0.00 O ATOM 1306 CB SER A 83 -3.519 5.950 6.152 1.00 0.00 C ATOM 1307 OG SER A 83 -2.802 5.023 6.946 1.00 0.00 O ATOM 0 H SER A 83 -5.093 7.181 4.684 1.00 0.00 H new ATOM 0 HA SER A 83 -4.515 4.440 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.890 6.295 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.773 6.826 6.749 1.00 0.00 H new ATOM 0 HG SER A 83 -1.989 5.448 7.291 1.00 0.00 H new ATOM 1313 N SER A 84 -6.468 5.794 7.276 1.00 0.00 N ATOM 1314 CA SER A 84 -7.386 5.516 8.363 1.00 0.00 C ATOM 1315 C SER A 84 -8.548 4.626 7.906 1.00 0.00 C ATOM 1316 O SER A 84 -9.203 3.975 8.723 1.00 0.00 O ATOM 1317 CB SER A 84 -7.895 6.833 8.928 1.00 0.00 C ATOM 1318 OG SER A 84 -8.266 7.707 7.876 1.00 0.00 O ATOM 0 H SER A 84 -6.462 6.769 6.975 1.00 0.00 H new ATOM 0 HA SER A 84 -6.857 4.966 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.751 6.651 9.578 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.122 7.297 9.540 1.00 0.00 H new ATOM 0 HG SER A 84 -9.243 7.771 7.833 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.779 4.595 6.594 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.844 3.788 6.005 1.00 0.00 C ATOM 1326 C TYR A 85 -9.632 2.308 6.326 1.00 0.00 C ATOM 1327 O TYR A 85 -10.537 1.635 6.799 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.859 4.011 4.476 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.838 3.157 3.692 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.130 3.592 3.442 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.455 1.920 3.180 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.012 2.818 2.707 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.329 1.144 2.452 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.604 1.596 2.217 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.474 0.825 1.485 1.00 0.00 O ATOM 0 H TYR A 85 -8.236 5.126 5.913 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.803 4.091 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.086 5.060 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.856 3.826 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.453 4.548 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.452 1.562 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.015 3.170 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.013 0.185 2.068 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.028 -0.005 1.214 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.421 1.822 6.080 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.082 0.421 6.333 1.00 0.00 C ATOM 1347 C LEU A 86 -8.104 0.085 7.819 1.00 0.00 C ATOM 1348 O LEU A 86 -8.581 -0.976 8.222 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.715 0.063 5.738 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.639 -0.035 4.209 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.713 1.337 3.560 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.376 -0.763 3.789 1.00 0.00 C ATOM 0 H LEU A 86 -7.653 2.378 5.704 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.849 -0.177 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.993 0.810 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.400 -0.893 6.157 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.501 -0.607 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.656 1.231 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.654 1.816 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.881 1.950 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.336 -0.825 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.504 -0.220 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.379 -1.769 4.210 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.583 0.991 8.629 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.492 0.773 10.069 1.00 0.00 C ATOM 1366 C ARG A 87 -8.883 0.649 10.712 1.00 0.00 C ATOM 1367 O ARG A 87 -9.117 -0.230 11.545 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.704 1.910 10.731 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.483 1.715 12.223 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.769 2.903 12.849 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.396 3.050 12.363 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.303 2.872 13.120 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.423 2.507 14.398 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -2.095 3.052 12.597 1.00 0.00 N ATOM 0 H ARG A 87 -7.214 1.889 8.316 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.965 -0.168 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.736 2.003 10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.235 2.849 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.444 1.567 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.897 0.811 12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.327 3.814 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.757 2.786 13.933 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.262 3.304 11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.348 2.362 14.802 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.590 2.373 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.998 3.326 11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.264 2.916 13.173 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.797 1.522 10.309 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.155 1.530 10.857 1.00 0.00 C ATOM 1390 C ALA A 88 -12.037 0.481 10.196 1.00 0.00 C ATOM 1391 O ALA A 88 -13.111 0.168 10.691 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.777 2.908 10.695 1.00 0.00 C ATOM 0 H ALA A 88 -9.626 2.237 9.602 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.084 1.285 11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.787 2.902 11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.173 3.644 11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.817 3.167 9.637 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.559 -0.069 9.093 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.318 -1.024 8.281 1.00 0.00 C ATOM 1400 C LEU A 89 -12.555 -2.359 9.019 1.00 0.00 C ATOM 1401 O LEU A 89 -13.292 -3.219 8.536 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.565 -1.289 6.965 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.316 -2.085 5.896 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.479 -1.274 5.351 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.376 -2.492 4.774 1.00 0.00 C ATOM 0 H LEU A 89 -10.628 0.131 8.727 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.294 -0.583 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.279 -0.328 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.643 -1.820 7.201 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.712 -2.991 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.003 -1.854 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.166 -1.033 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.103 -0.352 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.929 -3.057 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.949 -1.600 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.575 -3.111 5.177 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.924 -2.532 10.174 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.019 -3.790 10.910 1.00 0.00 C ATOM 1419 C ARG A 90 -13.399 -4.004 11.583 1.00 0.00 C ATOM 1420 O ARG A 90 -13.616 -3.629 12.736 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.881 -3.923 11.943 1.00 0.00 C ATOM 1422 CG ARG A 90 -10.926 -2.924 13.102 1.00 0.00 C ATOM 1423 CD ARG A 90 -9.800 -3.191 14.080 1.00 0.00 C ATOM 1424 NE ARG A 90 -9.865 -2.351 15.279 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.243 -1.178 15.421 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -8.607 -0.627 14.397 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -9.266 -0.550 16.591 1.00 0.00 N ATOM 0 H ARG A 90 -11.344 -1.822 10.621 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.911 -4.580 10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.903 -4.932 12.354 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.928 -3.810 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.847 -1.908 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.885 -2.996 13.615 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.826 -4.239 14.377 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.846 -3.025 13.580 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.426 -2.687 16.062 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.591 -1.099 13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.134 0.269 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.759 -0.964 17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.790 0.346 16.698 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.328 -4.588 10.847 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.632 -4.925 11.411 1.00 0.00 C ATOM 1443 C GLU A 91 -15.556 -6.269 12.144 1.00 0.00 C ATOM 1444 O GLU A 91 -16.191 -6.473 13.181 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.710 -4.986 10.319 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.448 -6.034 9.251 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.606 -6.197 8.300 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.574 -6.904 8.658 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.556 -5.639 7.191 1.00 0.00 O ATOM 0 H GLU A 91 -14.210 -4.839 9.865 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.907 -4.142 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.674 -5.190 10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.787 -4.008 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.557 -5.758 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.239 -6.991 9.730 1.00 0.00 H new ATOM 1456 N HIS A 92 -14.757 -7.173 11.599 1.00 0.00 N ATOM 1457 CA HIS A 92 -14.597 -8.496 12.169 1.00 0.00 C ATOM 1458 C HIS A 92 -13.579 -8.469 13.294 1.00 0.00 C ATOM 1459 O HIS A 92 -12.459 -7.986 13.120 1.00 0.00 O ATOM 1460 CB HIS A 92 -14.175 -9.496 11.087 1.00 0.00 C ATOM 1461 CG HIS A 92 -13.971 -10.893 11.596 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -12.745 -11.521 11.590 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -14.840 -11.782 12.137 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -12.869 -12.732 12.106 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -14.128 -12.913 12.446 1.00 0.00 N ATOM 0 H HIS A 92 -14.206 -7.010 10.756 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.555 -8.815 12.579 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.934 -9.512 10.305 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.250 -9.149 10.626 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -15.897 -11.628 12.295 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.072 -13.451 12.228 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.512 -13.757 12.870 1.00 0.00 H new ATOM 1473 N GLY A 93 -13.976 -8.983 14.443 1.00 0.00 N ATOM 1474 CA GLY A 93 -13.093 -9.011 15.584 1.00 0.00 C ATOM 1475 C GLY A 93 -13.317 -7.831 16.495 1.00 0.00 C ATOM 1476 O GLY A 93 -12.721 -7.739 17.568 1.00 0.00 O ATOM 0 H GLY A 93 -14.900 -9.384 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.248 -9.935 16.141 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.058 -9.015 15.242 1.00 0.00 H new ATOM 1480 N THR A 94 -14.187 -6.932 16.075 1.00 0.00 N ATOM 1481 CA THR A 94 -14.486 -5.758 16.849 1.00 0.00 C ATOM 1482 C THR A 94 -15.898 -5.840 17.423 1.00 0.00 C ATOM 1483 O THR A 94 -16.867 -5.392 16.805 1.00 0.00 O ATOM 1484 CB THR A 94 -14.344 -4.475 16.004 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.090 -4.498 15.297 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.395 -3.237 16.890 1.00 0.00 C ATOM 0 H THR A 94 -14.698 -7.000 15.195 1.00 0.00 H new ATOM 0 HA THR A 94 -13.766 -5.713 17.666 1.00 0.00 H new ATOM 0 HB THR A 94 -15.171 -4.436 15.296 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.249 -4.337 14.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.293 -2.344 16.273 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.348 -3.207 17.418 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.580 -3.273 17.613 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.010 -6.447 18.587 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.280 -6.559 19.270 1.00 0.00 C ATOM 1496 C ILE A 95 -17.261 -5.728 20.534 1.00 0.00 C ATOM 1497 O ILE A 95 -16.453 -5.964 21.436 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.632 -8.033 19.602 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -17.863 -8.818 18.310 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.863 -8.111 20.504 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -17.995 -10.312 18.514 1.00 0.00 C ATOM 0 H ILE A 95 -15.227 -6.874 19.083 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.052 -6.183 18.599 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.794 -8.476 20.140 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -18.767 -8.446 17.827 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.035 -8.626 17.627 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.089 -9.155 20.722 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.666 -7.580 21.435 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.714 -7.654 19.999 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.157 -10.798 17.552 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.082 -10.699 18.967 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.841 -10.516 19.170 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.146 -4.762 20.592 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.223 -3.873 21.716 1.00 0.00 C ATOM 1515 C TYR A 96 -19.646 -3.869 22.249 1.00 0.00 C ATOM 1516 O TYR A 96 -20.596 -3.809 21.470 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.821 -2.455 21.291 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.435 -1.562 22.443 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -18.394 -0.982 23.257 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -16.100 -1.321 22.729 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -18.038 -0.184 24.319 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.733 -0.523 23.793 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.704 0.043 24.585 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.343 0.835 25.652 1.00 0.00 O ATOM 0 H TYR A 96 -18.831 -4.574 19.860 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.541 -4.211 22.496 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.984 -2.518 20.595 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.651 -1.998 20.751 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.440 -1.160 23.054 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.335 -1.765 22.109 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.799 0.263 24.941 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.689 -0.344 24.003 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.366 0.893 25.701 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.787 -3.967 23.567 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.097 -3.947 24.225 1.00 0.00 C ATOM 1536 C CYS A 97 -21.961 -5.139 23.774 1.00 0.00 C ATOM 1537 O CYS A 97 -23.188 -5.093 23.828 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.817 -2.607 23.945 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.174 -2.222 25.083 1.00 0.00 S ATOM 0 H CYS A 97 -19.002 -4.062 24.211 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.942 -4.038 25.300 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.085 -1.801 23.989 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.209 -2.627 22.928 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.703 -1.080 24.757 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.305 -6.210 23.348 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.024 -7.396 22.918 1.00 0.00 C ATOM 1547 C GLY A 98 -22.536 -7.300 21.492 1.00 0.00 C ATOM 1548 O GLY A 98 -23.446 -8.035 21.105 1.00 0.00 O ATOM 0 H GLY A 98 -20.289 -6.280 23.292 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.368 -8.262 23.004 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.866 -7.566 23.589 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.968 -6.396 20.714 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.363 -6.238 19.326 1.00 0.00 C ATOM 1554 C ALA A 99 -21.166 -5.920 18.451 1.00 0.00 C ATOM 1555 O ALA A 99 -20.204 -5.302 18.900 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.407 -5.147 19.192 1.00 0.00 C ATOM 0 H ALA A 99 -21.232 -5.760 21.020 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.792 -7.182 18.991 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.691 -5.042 18.145 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.285 -5.409 19.782 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.996 -4.204 19.552 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.223 -6.348 17.209 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.158 -6.081 16.268 1.00 0.00 C ATOM 1564 C ALA A 100 -20.505 -4.863 15.438 1.00 0.00 C ATOM 1565 O ALA A 100 -21.585 -4.799 14.839 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.926 -7.285 15.367 1.00 0.00 C ATOM 0 H ALA A 100 -22.001 -6.886 16.826 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.239 -5.887 16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.121 -7.065 14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.652 -8.147 15.975 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.839 -7.507 14.814 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.612 -3.900 15.409 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.846 -2.696 14.647 1.00 0.00 C ATOM 1574 C ILE A 101 -19.415 -2.896 13.203 1.00 0.00 C ATOM 1575 O ILE A 101 -18.351 -3.455 12.930 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.142 -1.456 15.262 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.622 -1.648 15.312 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.688 -1.180 16.660 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.870 -0.412 15.764 1.00 0.00 C ATOM 0 H ILE A 101 -18.720 -3.927 15.903 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.917 -2.497 14.678 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.350 -0.598 14.623 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.390 -2.472 15.987 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.268 -1.937 14.323 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.187 -0.308 17.081 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.760 -0.989 16.601 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.508 -2.045 17.298 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.800 -0.621 15.776 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.072 0.409 15.076 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.196 -0.134 16.766 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.252 -2.466 12.286 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.961 -2.651 10.892 1.00 0.00 C ATOM 1593 C GLY A 102 -19.388 -1.418 10.256 1.00 0.00 C ATOM 1594 O GLY A 102 -20.079 -0.406 10.110 1.00 0.00 O ATOM 0 H GLY A 102 -21.132 -1.990 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.257 -3.476 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.874 -2.936 10.368 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.122 -1.491 9.900 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.445 -0.403 9.234 1.00 0.00 C ATOM 1600 C CYS A 103 -17.277 -0.744 7.766 1.00 0.00 C ATOM 1601 O CYS A 103 -16.401 -1.524 7.397 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.076 -0.169 9.867 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.104 0.016 11.665 1.00 0.00 S ATOM 0 H CYS A 103 -17.535 -2.308 10.066 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.039 0.506 9.336 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.424 -1.004 9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.635 0.727 9.429 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.888 0.141 12.107 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.122 -0.181 6.937 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.084 -0.468 5.516 1.00 0.00 C ATOM 1611 C VAL A 104 -17.944 0.815 4.705 1.00 0.00 C ATOM 1612 O VAL A 104 -18.266 1.902 5.195 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.359 -1.232 5.061 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.406 -2.619 5.684 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.612 -0.448 5.418 1.00 0.00 C ATOM 0 H VAL A 104 -18.847 0.480 7.218 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.214 -1.100 5.337 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.319 -1.342 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.306 -3.136 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.527 -3.186 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.418 -2.530 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.493 -1.001 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.655 -0.303 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.588 0.522 4.922 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.448 0.712 3.458 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.318 1.865 2.568 1.00 0.00 C ATOM 1627 C PRO A 105 -18.676 2.483 2.271 1.00 0.00 C ATOM 1628 O PRO A 105 -19.705 1.800 2.337 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.707 1.273 1.287 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.987 -0.188 1.367 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.961 -0.525 2.826 1.00 0.00 C ATOM 0 HA PRO A 105 -16.712 2.660 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.155 1.713 0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.636 1.467 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.956 -0.426 0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -16.239 -0.761 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.603 -1.376 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.957 -0.783 3.163 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.679 3.771 1.970 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.911 4.493 1.704 1.00 0.00 C ATOM 1641 C TYR A 106 -20.640 3.922 0.488 1.00 0.00 C ATOM 1642 O TYR A 106 -20.293 4.208 -0.654 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.621 5.988 1.501 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.862 6.852 1.350 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.526 7.340 2.467 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.361 7.184 0.095 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.651 8.131 2.342 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.489 7.974 -0.040 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.129 8.445 1.086 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.249 9.234 0.956 1.00 0.00 O ATOM 0 H TYR A 106 -17.836 4.341 1.904 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.562 4.374 2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.041 6.352 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.999 6.108 0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.156 7.097 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.860 6.819 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.154 8.502 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.866 8.220 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.451 9.361 0.006 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.630 3.088 0.752 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.446 2.516 -0.295 1.00 0.00 C ATOM 1662 C LYS A 107 -23.729 3.309 -0.425 1.00 0.00 C ATOM 1663 O LYS A 107 -24.427 3.545 0.563 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.774 1.051 0.004 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.590 0.104 -0.064 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.013 -1.311 0.296 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.846 -2.283 0.240 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.345 -2.472 -1.147 1.00 0.00 N ATOM 0 H LYS A 107 -21.887 2.792 1.694 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.888 2.558 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.214 0.988 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.532 0.712 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.164 0.118 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.809 0.440 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.443 -1.318 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.794 -1.642 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.037 -1.915 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -21.156 -3.245 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.631 -3.228 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.136 -2.734 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.917 -1.587 -1.485 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.047 3.704 -1.636 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.233 4.501 -1.904 1.00 0.00 C ATOM 1684 C HIS A 108 -26.501 3.708 -1.609 1.00 0.00 C ATOM 1685 O HIS A 108 -27.443 4.227 -1.004 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.234 4.974 -3.358 1.00 0.00 C ATOM 1687 CG HIS A 108 -24.127 5.931 -3.680 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -22.866 5.520 -4.060 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -24.090 7.283 -3.673 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -22.103 6.579 -4.270 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -22.822 7.658 -4.043 1.00 0.00 N ATOM 0 H HIS A 108 -23.495 3.485 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.214 5.371 -1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.155 4.107 -4.013 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.190 5.451 -3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -24.906 7.945 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -21.067 6.562 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -22.490 8.619 -4.128 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.509 2.445 -2.014 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.660 1.583 -1.796 1.00 0.00 C ATOM 1701 C GLU A 109 -27.825 1.271 -0.312 1.00 0.00 C ATOM 1702 O GLU A 109 -28.944 1.173 0.195 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.525 0.298 -2.602 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.757 -0.579 -2.555 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.653 -1.757 -3.492 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.088 -2.797 -3.095 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.120 -1.635 -4.653 1.00 0.00 O ATOM 0 H GLU A 109 -25.730 1.996 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.552 2.110 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.309 0.551 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.672 -0.268 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.906 -0.939 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.634 0.014 -2.815 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.701 1.141 0.379 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.705 0.867 1.808 1.00 0.00 C ATOM 1716 C LEU A 110 -27.379 2.002 2.547 1.00 0.00 C ATOM 1717 O LEU A 110 -28.144 1.780 3.487 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.283 0.692 2.330 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.152 0.436 3.832 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.715 -0.927 4.203 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.707 0.559 4.264 1.00 0.00 C ATOM 0 H LEU A 110 -25.770 1.222 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.255 -0.058 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.820 -0.139 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.712 1.587 2.082 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.734 1.191 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.610 -1.084 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.770 -0.971 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.170 -1.704 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.631 0.374 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.103 -0.171 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.345 1.563 4.042 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.107 3.224 2.102 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.684 4.397 2.707 1.00 0.00 C ATOM 1735 C ILE A 111 -29.198 4.355 2.579 1.00 0.00 C ATOM 1736 O ILE A 111 -29.906 4.612 3.538 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.134 5.687 2.050 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.636 5.831 2.343 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.897 6.921 2.530 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.301 5.973 3.815 1.00 0.00 C ATOM 0 H ILE A 111 -26.484 3.418 1.318 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.411 4.407 3.762 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.276 5.608 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.114 4.960 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.255 6.702 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.488 7.811 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.951 6.821 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.797 7.013 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.222 6.070 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.791 6.860 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.648 5.092 4.354 1.00 0.00 H new ATOM 1752 N SER A 112 -29.689 3.985 1.406 1.00 0.00 N ATOM 1753 CA SER A 112 -31.122 3.880 1.182 1.00 0.00 C ATOM 1754 C SER A 112 -31.738 2.855 2.148 1.00 0.00 C ATOM 1755 O SER A 112 -32.810 3.082 2.714 1.00 0.00 O ATOM 1756 CB SER A 112 -31.397 3.474 -0.268 1.00 0.00 C ATOM 1757 OG SER A 112 -30.743 4.356 -1.175 1.00 0.00 O ATOM 0 H SER A 112 -29.116 3.753 0.595 1.00 0.00 H new ATOM 0 HA SER A 112 -31.580 4.852 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.053 2.453 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.471 3.484 -0.455 1.00 0.00 H new ATOM 0 HG SER A 112 -30.931 4.077 -2.095 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.035 1.746 2.339 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.472 0.679 3.241 1.00 0.00 C ATOM 1765 C GLU A 113 -31.579 1.141 4.694 1.00 0.00 C ATOM 1766 O GLU A 113 -32.548 0.824 5.377 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.499 -0.500 3.152 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.591 -1.295 1.866 1.00 0.00 C ATOM 1769 CD GLU A 113 -31.835 -2.141 1.813 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -31.949 -3.088 2.626 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -32.719 -1.875 0.975 1.00 0.00 O ATOM 0 H GLU A 113 -30.146 1.557 1.875 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.470 0.377 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.482 -0.124 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.682 -1.170 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.581 -0.612 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.713 -1.935 1.772 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.592 1.869 5.168 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.577 2.282 6.558 1.00 0.00 C ATOM 1780 C LEU A 114 -31.295 3.608 6.795 1.00 0.00 C ATOM 1781 O LEU A 114 -31.605 3.960 7.928 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.139 2.299 7.088 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.108 3.114 6.296 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -28.257 4.588 6.572 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.698 2.652 6.626 1.00 0.00 C ATOM 0 H LEU A 114 -29.794 2.186 4.618 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.144 1.544 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.160 2.682 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.787 1.269 7.141 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.290 2.948 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -27.514 5.142 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -29.256 4.913 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -28.108 4.776 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -25.979 3.241 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.512 2.785 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -26.591 1.599 6.368 1.00 0.00 H new ATOM 1797 N SER A 115 -31.570 4.328 5.732 1.00 0.00 N ATOM 1798 CA SER A 115 -32.254 5.613 5.856 1.00 0.00 C ATOM 1799 C SER A 115 -33.771 5.459 5.965 1.00 0.00 C ATOM 1800 O SER A 115 -34.473 6.432 6.249 1.00 0.00 O ATOM 1801 CB SER A 115 -31.895 6.552 4.706 1.00 0.00 C ATOM 1802 OG SER A 115 -30.516 6.870 4.729 1.00 0.00 O ATOM 0 H SER A 115 -31.337 4.057 4.777 1.00 0.00 H new ATOM 0 HA SER A 115 -31.903 6.057 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.149 6.084 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.485 7.466 4.779 1.00 0.00 H new ATOM 0 HG SER A 115 -30.033 6.276 4.117 1.00 0.00 H new