USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 802 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: B 501 MET CE :methyl 150:sc= -1.14 (180deg=-2.82!) USER MOD Set 1.2: B 502 THR OG1 : rot 79:sc= 0.952 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0749 K(o=-6.1,f=-6.6!) USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= -5.99! C(o=-9.3!,f=-6.1!) USER MOD Single : A 19 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.6) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.115 (180deg=-0.679) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.158 (180deg=-0.622) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.67 F(o=-0.24,f=0.67) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 162:sc= -10.6! (180deg=-13.8!) USER MOD Single : A 41 THR OG1 : rot -38:sc= 1.28 USER MOD Single : A 43 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 48 TYR OH : rot 40:sc= 1.31 USER MOD Single : A 49 THR OG1 : rot -75:sc= -2.73! USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.886 (180deg=-0.678) USER MOD Single : A 54 SER OG : rot 44:sc= 0.343 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.481 (180deg=-1.89!) USER MOD Single : A 58 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-11!) USER MOD Single : A 59 TYR OH : rot 74:sc= -1.63! USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -93:sc= 0.974 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -58:sc= 0.226 USER MOD Single : A 70 ASN : amide:sc= -1.58! C(o=-1.6!,f=-3.1!) USER MOD Single : A 73 SER OG : rot 42:sc= -2.63! USER MOD Single : A 76 SER OG : rot 17:sc= 0.275 USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= -0.315! (180deg=-1.12!) USER MOD Single : A 91 CYS SG : rot -168:sc= -16.5! USER MOD Single : A 100 MET CE :methyl 167:sc= -3.54! (180deg=-3.62!) USER MOD Single : A 105 MET CE :methyl -118:sc= -5.44! (180deg=-9.94!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0911 F(o=-2.8!,f=-0.091) USER MOD Single : A 107 ASN : amide:sc= 0.625 K(o=0.63,f=-0.29) USER MOD Single : A 108 ASN :FLIP amide:sc= -6.37! C(o=-8.2!,f=-6.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.4!) USER MOD Single : B 511 GLN : amide:sc= -4.85! C(o=-4.8!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.942 12.373 -0.082 1.00 0.00 N ATOM 174 CA ASN A 19 -1.410 11.140 0.441 1.00 0.00 C ATOM 175 C ASN A 19 -2.388 10.450 1.390 1.00 0.00 C ATOM 176 O ASN A 19 -2.419 9.223 1.469 1.00 0.00 O ATOM 177 CB ASN A 19 -0.104 11.460 1.143 1.00 0.00 C ATOM 178 CG ASN A 19 1.036 11.762 0.193 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.207 12.901 -0.247 1.00 0.00 O ATOM 180 ND2 ASN A 19 1.847 10.766 -0.092 1.00 0.00 N ATOM 0 HA ASN A 19 -1.241 10.441 -0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.255 12.316 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.175 10.617 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.653 10.922 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.670 9.838 0.293 1.00 0.00 H new ATOM 187 N LYS A 20 -3.183 11.230 2.112 1.00 0.00 N ATOM 188 CA LYS A 20 -4.194 10.663 2.985 1.00 0.00 C ATOM 189 C LYS A 20 -5.461 10.385 2.180 1.00 0.00 C ATOM 190 O LYS A 20 -6.235 11.301 1.878 1.00 0.00 O ATOM 191 CB LYS A 20 -4.506 11.651 4.115 1.00 0.00 C ATOM 192 CG LYS A 20 -5.516 11.139 5.119 1.00 0.00 C ATOM 193 CD LYS A 20 -4.907 10.147 6.079 1.00 0.00 C ATOM 194 CE LYS A 20 -4.183 10.808 7.230 1.00 0.00 C ATOM 195 NZ LYS A 20 -5.068 11.703 8.025 1.00 0.00 N ATOM 0 H LYS A 20 -3.145 12.249 2.108 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.826 9.731 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.581 11.894 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.879 12.578 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.928 11.979 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.346 10.670 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.692 9.502 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.210 9.507 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.769 10.040 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.343 11.385 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.685 11.806 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.116 12.637 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.022 11.293 8.075 1.00 0.00 H new ATOM 209 N PHE A 21 -5.688 9.123 1.860 1.00 0.00 N ATOM 210 CA PHE A 21 -6.878 8.735 1.116 1.00 0.00 C ATOM 211 C PHE A 21 -7.825 7.924 1.974 1.00 0.00 C ATOM 212 O PHE A 21 -7.423 6.959 2.604 1.00 0.00 O ATOM 213 CB PHE A 21 -6.485 7.939 -0.132 1.00 0.00 C ATOM 214 CG PHE A 21 -6.000 8.794 -1.268 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.441 10.100 -1.428 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.091 8.289 -2.174 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.976 10.871 -2.473 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.628 9.049 -3.203 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.064 10.341 -3.359 1.00 0.00 C ATOM 0 H PHE A 21 -5.068 8.350 2.102 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.395 9.645 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.704 7.227 0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.345 7.359 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.153 10.515 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.741 7.273 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.325 11.886 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.915 8.634 -3.900 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.692 10.942 -4.176 1.00 0.00 H new ATOM 229 N LYS A 22 -9.080 8.323 2.007 1.00 0.00 N ATOM 230 CA LYS A 22 -10.089 7.551 2.705 1.00 0.00 C ATOM 231 C LYS A 22 -10.490 6.360 1.861 1.00 0.00 C ATOM 232 O LYS A 22 -11.178 6.501 0.844 1.00 0.00 O ATOM 233 CB LYS A 22 -11.311 8.398 3.026 1.00 0.00 C ATOM 234 CG LYS A 22 -11.400 8.838 4.469 1.00 0.00 C ATOM 235 CD LYS A 22 -11.588 7.659 5.416 1.00 0.00 C ATOM 236 CE LYS A 22 -12.980 7.060 5.319 1.00 0.00 C ATOM 237 NZ LYS A 22 -14.035 8.064 5.612 1.00 0.00 N ATOM 0 H LYS A 22 -9.425 9.173 1.561 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.665 7.206 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.304 9.282 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.208 7.831 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.493 9.379 4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.232 9.532 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.848 6.892 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.405 7.985 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.132 6.654 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.067 6.227 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.921 7.576 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.737 8.657 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.186 8.663 4.775 1.00 0.00 H new ATOM 251 N VAL A 23 -10.040 5.196 2.272 1.00 0.00 N ATOM 252 CA VAL A 23 -10.335 3.977 1.569 1.00 0.00 C ATOM 253 C VAL A 23 -11.463 3.245 2.275 1.00 0.00 C ATOM 254 O VAL A 23 -12.056 3.756 3.220 1.00 0.00 O ATOM 255 CB VAL A 23 -9.080 3.081 1.501 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.917 3.869 0.931 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.719 2.532 2.871 1.00 0.00 C ATOM 0 H VAL A 23 -9.460 5.072 3.102 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.643 4.217 0.551 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.299 2.235 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.034 3.232 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.168 4.214 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.712 4.728 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.831 1.905 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.518 3.358 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.548 1.938 3.255 1.00 0.00 H new ATOM 267 N ILE A 24 -11.786 2.074 1.807 1.00 0.00 N ATOM 268 CA ILE A 24 -12.747 1.249 2.488 1.00 0.00 C ATOM 269 C ILE A 24 -12.171 -0.133 2.706 1.00 0.00 C ATOM 270 O ILE A 24 -12.043 -0.884 1.757 1.00 0.00 O ATOM 271 CB ILE A 24 -14.029 1.088 1.681 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.753 2.395 1.459 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.951 0.164 2.396 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.600 2.360 0.211 1.00 0.00 C ATOM 0 H ILE A 24 -11.399 1.667 0.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.975 1.739 3.434 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.739 0.693 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.384 2.612 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.027 3.205 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.869 0.048 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.472 -0.808 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.188 0.574 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.104 3.318 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.965 2.169 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.343 1.567 0.298 1.00 0.00 H new ATOM 286 N ASN A 25 -11.823 -0.494 3.922 1.00 0.00 N ATOM 287 CA ASN A 25 -11.317 -1.836 4.134 1.00 0.00 C ATOM 288 C ASN A 25 -12.423 -2.843 3.827 1.00 0.00 C ATOM 289 O ASN A 25 -13.481 -2.848 4.465 1.00 0.00 O ATOM 290 CB ASN A 25 -10.746 -2.000 5.552 1.00 0.00 C ATOM 291 CG ASN A 25 -11.145 -3.300 6.233 1.00 0.00 C ATOM 292 OD1 ASN A 25 -12.168 -3.238 7.067 1.00 0.00 O flip ATOM 293 ND2 ASN A 25 -10.526 -4.339 6.036 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.877 0.096 4.752 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.487 -2.025 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.658 -1.946 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.079 -1.163 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.741 -4.349 5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.796 -5.194 6.523 1.00 0.00 H new ATOM 300 N VAL A 26 -12.188 -3.647 2.796 1.00 0.00 N ATOM 301 CA VAL A 26 -13.197 -4.555 2.276 1.00 0.00 C ATOM 302 C VAL A 26 -12.583 -5.940 2.107 1.00 0.00 C ATOM 303 O VAL A 26 -11.532 -6.083 1.487 1.00 0.00 O ATOM 304 CB VAL A 26 -13.740 -4.016 0.928 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.526 -2.736 1.164 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.619 -3.750 -0.054 1.00 0.00 C ATOM 0 H VAL A 26 -11.297 -3.686 2.301 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.032 -4.626 2.973 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.392 -4.777 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.905 -2.361 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.362 -2.940 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.875 -1.987 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.035 -3.373 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.937 -3.010 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.076 -4.676 -0.246 1.00 0.00 H new ATOM 316 N ASP A 27 -13.216 -6.973 2.644 1.00 0.00 N ATOM 317 CA ASP A 27 -12.571 -8.279 2.639 1.00 0.00 C ATOM 318 C ASP A 27 -13.409 -9.357 1.978 1.00 0.00 C ATOM 319 O ASP A 27 -14.568 -9.566 2.332 1.00 0.00 O ATOM 320 CB ASP A 27 -12.192 -8.713 4.058 1.00 0.00 C ATOM 321 CG ASP A 27 -11.594 -10.111 4.099 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.434 -10.287 3.670 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.289 -11.044 4.561 1.00 0.00 O ATOM 0 H ASP A 27 -14.140 -6.939 3.074 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.667 -8.161 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.477 -8.003 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.077 -8.681 4.693 1.00 0.00 H new ATOM 328 N ASP A 28 -12.779 -10.018 1.002 1.00 0.00 N ATOM 329 CA ASP A 28 -13.294 -11.226 0.332 1.00 0.00 C ATOM 330 C ASP A 28 -14.692 -11.042 -0.285 1.00 0.00 C ATOM 331 O ASP A 28 -15.263 -11.975 -0.842 1.00 0.00 O ATOM 332 CB ASP A 28 -13.294 -12.391 1.328 1.00 0.00 C ATOM 333 CG ASP A 28 -13.511 -13.741 0.674 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.665 -14.158 -0.142 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.510 -14.410 0.998 1.00 0.00 O ATOM 0 H ASP A 28 -11.871 -9.723 0.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.629 -11.439 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.344 -12.403 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.075 -12.225 2.070 1.00 0.00 H new ATOM 340 N ASP A 29 -15.215 -9.828 -0.221 1.00 0.00 N ATOM 341 CA ASP A 29 -16.497 -9.499 -0.838 1.00 0.00 C ATOM 342 C ASP A 29 -16.433 -8.103 -1.428 1.00 0.00 C ATOM 343 O ASP A 29 -17.353 -7.652 -2.103 1.00 0.00 O ATOM 344 CB ASP A 29 -17.644 -9.535 0.182 1.00 0.00 C ATOM 345 CG ASP A 29 -17.998 -10.928 0.657 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.600 -11.695 -0.122 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.710 -11.249 1.825 1.00 0.00 O ATOM 0 H ASP A 29 -14.769 -9.045 0.256 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.689 -10.243 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.370 -8.926 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.528 -9.078 -0.263 1.00 0.00 H new ATOM 352 N GLY A 30 -15.326 -7.420 -1.157 1.00 0.00 N ATOM 353 CA GLY A 30 -15.227 -6.008 -1.465 1.00 0.00 C ATOM 354 C GLY A 30 -16.225 -5.232 -0.648 1.00 0.00 C ATOM 355 O GLY A 30 -16.628 -4.134 -1.013 1.00 0.00 O ATOM 0 H GLY A 30 -14.493 -7.823 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.218 -5.652 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.409 -5.845 -2.527 1.00 0.00 H new ATOM 359 N ASN A 31 -16.620 -5.819 0.474 1.00 0.00 N ATOM 360 CA ASN A 31 -17.621 -5.221 1.332 1.00 0.00 C ATOM 361 C ASN A 31 -16.962 -4.374 2.377 1.00 0.00 C ATOM 362 O ASN A 31 -16.016 -4.821 3.020 1.00 0.00 O ATOM 363 CB ASN A 31 -18.466 -6.286 2.017 1.00 0.00 C ATOM 364 CG ASN A 31 -19.833 -5.754 2.402 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.026 -5.242 3.505 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.783 -5.848 1.487 1.00 0.00 N ATOM 0 H ASN A 31 -16.258 -6.712 0.808 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.269 -4.606 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.582 -7.142 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.950 -6.643 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.717 -5.489 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.581 -6.280 0.585 1.00 0.00 H new ATOM 373 N GLU A 32 -17.423 -3.136 2.494 1.00 0.00 N ATOM 374 CA GLU A 32 -16.931 -2.217 3.497 1.00 0.00 C ATOM 375 C GLU A 32 -17.066 -2.793 4.910 1.00 0.00 C ATOM 376 O GLU A 32 -18.023 -2.501 5.627 1.00 0.00 O ATOM 377 CB GLU A 32 -17.703 -0.903 3.387 1.00 0.00 C ATOM 378 CG GLU A 32 -17.944 -0.494 1.941 1.00 0.00 C ATOM 379 CD GLU A 32 -19.315 -0.878 1.437 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.441 -1.990 0.894 1.00 0.00 O ATOM 381 OE2 GLU A 32 -20.256 -0.068 1.558 1.00 0.00 O ATOM 0 H GLU A 32 -18.149 -2.746 1.893 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.870 -2.045 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.660 -1.003 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.149 -0.115 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.819 0.585 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.188 -0.958 1.308 1.00 0.00 H new ATOM 388 N LEU A 33 -16.093 -3.603 5.300 1.00 0.00 N ATOM 389 CA LEU A 33 -16.056 -4.208 6.623 1.00 0.00 C ATOM 390 C LEU A 33 -15.364 -3.259 7.594 1.00 0.00 C ATOM 391 O LEU A 33 -14.718 -3.667 8.562 1.00 0.00 O ATOM 392 CB LEU A 33 -15.331 -5.559 6.556 1.00 0.00 C ATOM 393 CG LEU A 33 -16.211 -6.775 6.219 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.395 -6.368 5.376 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.413 -7.810 5.454 1.00 0.00 C ATOM 0 H LEU A 33 -15.305 -3.860 4.706 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.071 -4.386 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.540 -5.489 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.848 -5.739 7.516 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.562 -7.195 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.001 -7.246 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.997 -5.641 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.043 -5.923 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.051 -8.664 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.044 -7.372 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.570 -8.140 6.060 1.00 0.00 H new ATOM 407 N GLY A 34 -15.505 -1.976 7.300 1.00 0.00 N ATOM 408 CA GLY A 34 -14.865 -0.942 8.074 1.00 0.00 C ATOM 409 C GLY A 34 -14.022 -0.056 7.188 1.00 0.00 C ATOM 410 O GLY A 34 -12.823 -0.291 7.035 1.00 0.00 O ATOM 0 H GLY A 34 -16.065 -1.631 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.619 -0.343 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.241 -1.392 8.846 1.00 0.00 H new ATOM 414 N SER A 35 -14.644 0.938 6.568 1.00 0.00 N ATOM 415 CA SER A 35 -13.928 1.814 5.665 1.00 0.00 C ATOM 416 C SER A 35 -12.867 2.618 6.424 1.00 0.00 C ATOM 417 O SER A 35 -13.138 3.205 7.477 1.00 0.00 O ATOM 418 CB SER A 35 -14.901 2.711 4.891 1.00 0.00 C ATOM 419 OG SER A 35 -15.744 3.455 5.756 1.00 0.00 O ATOM 0 H SER A 35 -15.635 1.153 6.676 1.00 0.00 H new ATOM 0 HA SER A 35 -13.403 1.208 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.337 3.396 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.512 2.097 4.230 1.00 0.00 H new ATOM 0 HG SER A 35 -16.347 4.015 5.223 1.00 0.00 H new ATOM 425 N GLY A 36 -11.660 2.622 5.883 1.00 0.00 N ATOM 426 CA GLY A 36 -10.516 3.154 6.591 1.00 0.00 C ATOM 427 C GLY A 36 -9.871 4.300 5.840 1.00 0.00 C ATOM 428 O GLY A 36 -10.438 4.835 4.903 1.00 0.00 O ATOM 0 H GLY A 36 -11.451 2.261 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.827 3.496 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.783 2.362 6.744 1.00 0.00 H new ATOM 432 N ILE A 37 -8.698 4.689 6.268 1.00 0.00 N ATOM 433 CA ILE A 37 -7.843 5.555 5.480 1.00 0.00 C ATOM 434 C ILE A 37 -6.760 4.701 4.864 1.00 0.00 C ATOM 435 O ILE A 37 -6.537 3.604 5.304 1.00 0.00 O ATOM 436 CB ILE A 37 -7.130 6.610 6.355 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.103 7.629 6.946 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.069 7.348 5.550 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.476 8.741 5.987 1.00 0.00 C ATOM 0 H ILE A 37 -8.304 4.418 7.169 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.463 6.061 4.740 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.664 6.066 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.010 7.113 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.659 8.066 7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.579 8.086 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.329 6.636 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.538 7.851 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.169 9.426 6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.578 9.283 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.950 8.315 5.103 1.00 0.00 H new ATOM 451 N MET A 38 -6.087 5.214 3.881 1.00 0.00 N ATOM 452 CA MET A 38 -4.854 4.647 3.444 1.00 0.00 C ATOM 453 C MET A 38 -3.872 5.775 3.244 1.00 0.00 C ATOM 454 O MET A 38 -3.835 6.433 2.204 1.00 0.00 O ATOM 455 CB MET A 38 -5.032 3.818 2.202 1.00 0.00 C ATOM 456 CG MET A 38 -3.823 3.004 1.881 1.00 0.00 C ATOM 457 SD MET A 38 -3.477 1.811 3.162 1.00 0.00 S ATOM 458 CE MET A 38 -5.109 1.098 3.252 1.00 0.00 C ATOM 0 H MET A 38 -6.380 6.040 3.359 1.00 0.00 H new ATOM 0 HA MET A 38 -4.470 3.960 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.888 3.156 2.330 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.259 4.473 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.972 2.488 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.963 3.662 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.056 0.130 3.751 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.765 1.761 3.816 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.505 0.966 2.245 1.00 0.00 H new ATOM 468 N GLU A 39 -3.126 6.018 4.295 1.00 0.00 N ATOM 469 CA GLU A 39 -2.185 7.099 4.369 1.00 0.00 C ATOM 470 C GLU A 39 -0.920 6.705 3.636 1.00 0.00 C ATOM 471 O GLU A 39 -0.108 5.933 4.154 1.00 0.00 O ATOM 472 CB GLU A 39 -1.848 7.286 5.823 1.00 0.00 C ATOM 473 CG GLU A 39 -0.727 8.250 6.115 1.00 0.00 C ATOM 474 CD GLU A 39 -1.211 9.618 6.513 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.481 10.447 5.622 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.328 9.864 7.733 1.00 0.00 O ATOM 0 H GLU A 39 -3.161 5.452 5.143 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.597 8.007 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.742 7.629 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.587 6.315 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.106 7.844 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.093 8.338 5.233 1.00 0.00 H new ATOM 483 N LEU A 40 -0.753 7.193 2.442 1.00 0.00 N ATOM 484 CA LEU A 40 0.407 6.846 1.671 1.00 0.00 C ATOM 485 C LEU A 40 1.593 7.716 2.036 1.00 0.00 C ATOM 486 O LEU A 40 1.592 8.912 1.778 1.00 0.00 O ATOM 487 CB LEU A 40 0.093 6.973 0.198 1.00 0.00 C ATOM 488 CG LEU A 40 -0.237 5.666 -0.502 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.553 5.946 -1.942 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.941 4.710 -0.400 1.00 0.00 C ATOM 0 H LEU A 40 -1.402 7.831 1.981 1.00 0.00 H new ATOM 0 HA LEU A 40 0.675 5.814 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.749 7.655 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.947 7.430 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.101 5.203 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.791 5.012 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.408 6.620 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.310 6.410 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.696 3.775 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.815 5.158 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.157 4.510 0.649 1.00 0.00 H new ATOM 502 N THR A 41 2.599 7.123 2.654 1.00 0.00 N ATOM 503 CA THR A 41 3.813 7.855 2.954 1.00 0.00 C ATOM 504 C THR A 41 5.021 7.187 2.312 1.00 0.00 C ATOM 505 O THR A 41 4.865 6.301 1.470 1.00 0.00 O ATOM 506 CB THR A 41 4.052 7.992 4.456 1.00 0.00 C ATOM 507 OG1 THR A 41 4.305 6.714 5.056 1.00 0.00 O ATOM 508 CG2 THR A 41 2.865 8.657 5.132 1.00 0.00 C ATOM 0 H THR A 41 2.599 6.148 2.954 1.00 0.00 H new ATOM 0 HA THR A 41 3.682 8.854 2.539 1.00 0.00 H new ATOM 0 HB THR A 41 4.932 8.620 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.733 6.037 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.057 8.744 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.714 9.650 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.971 8.055 4.972 1.00 0.00 H new ATOM 516 N ASP A 42 6.215 7.620 2.720 1.00 0.00 N ATOM 517 CA ASP A 42 7.472 7.073 2.208 1.00 0.00 C ATOM 518 C ASP A 42 7.516 5.579 2.303 1.00 0.00 C ATOM 519 O ASP A 42 7.821 4.901 1.326 1.00 0.00 O ATOM 520 CB ASP A 42 8.674 7.621 2.980 1.00 0.00 C ATOM 521 CG ASP A 42 8.921 9.103 2.768 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.348 9.924 3.520 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.702 9.456 1.859 1.00 0.00 O ATOM 0 H ASP A 42 6.338 8.358 3.413 1.00 0.00 H new ATOM 0 HA ASP A 42 7.522 7.376 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.524 7.437 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.566 7.069 2.683 1.00 0.00 H new ATOM 528 N THR A 43 7.243 5.046 3.467 1.00 0.00 N ATOM 529 CA THR A 43 7.486 3.647 3.652 1.00 0.00 C ATOM 530 C THR A 43 6.350 2.919 4.348 1.00 0.00 C ATOM 531 O THR A 43 6.327 1.696 4.337 1.00 0.00 O ATOM 532 CB THR A 43 8.771 3.407 4.448 1.00 0.00 C ATOM 533 OG1 THR A 43 8.647 3.922 5.777 1.00 0.00 O ATOM 534 CG2 THR A 43 9.959 4.079 3.799 1.00 0.00 C ATOM 0 H THR A 43 6.865 5.543 4.273 1.00 0.00 H new ATOM 0 HA THR A 43 7.579 3.243 2.644 1.00 0.00 H new ATOM 0 HB THR A 43 8.928 2.329 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.151 3.283 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.854 3.887 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.097 3.682 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.784 5.153 3.744 1.00 0.00 H new ATOM 542 N GLU A 44 5.435 3.630 4.984 1.00 0.00 N ATOM 543 CA GLU A 44 4.297 2.959 5.592 1.00 0.00 C ATOM 544 C GLU A 44 2.980 3.485 5.060 1.00 0.00 C ATOM 545 O GLU A 44 2.747 4.688 4.954 1.00 0.00 O ATOM 546 CB GLU A 44 4.306 3.030 7.124 1.00 0.00 C ATOM 547 CG GLU A 44 5.055 1.893 7.802 1.00 0.00 C ATOM 548 CD GLU A 44 6.425 2.295 8.291 1.00 0.00 C ATOM 549 OE1 GLU A 44 7.162 2.940 7.533 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.774 1.959 9.441 1.00 0.00 O ATOM 0 H GLU A 44 5.453 4.644 5.092 1.00 0.00 H new ATOM 0 HA GLU A 44 4.396 1.911 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.753 3.976 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.276 3.034 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.467 1.530 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.155 1.063 7.102 1.00 0.00 H new ATOM 557 N LEU A 45 2.147 2.546 4.700 1.00 0.00 N ATOM 558 CA LEU A 45 0.790 2.796 4.290 1.00 0.00 C ATOM 559 C LEU A 45 -0.121 2.767 5.501 1.00 0.00 C ATOM 560 O LEU A 45 -0.593 1.712 5.915 1.00 0.00 O ATOM 561 CB LEU A 45 0.411 1.725 3.273 1.00 0.00 C ATOM 562 CG LEU A 45 0.606 2.087 1.826 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.055 0.874 1.043 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.687 2.588 1.268 1.00 0.00 C ATOM 0 H LEU A 45 2.400 1.558 4.683 1.00 0.00 H new ATOM 0 HA LEU A 45 0.688 3.780 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.995 0.829 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.637 1.465 3.423 1.00 0.00 H new ATOM 0 HG LEU A 45 1.369 2.861 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.193 1.147 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.997 0.507 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.299 0.093 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.553 2.852 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.445 1.810 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.007 3.468 1.826 1.00 0.00 H new ATOM 576 N ILE A 46 -0.347 3.933 6.081 1.00 0.00 N ATOM 577 CA ILE A 46 -1.068 4.019 7.334 1.00 0.00 C ATOM 578 C ILE A 46 -2.590 3.990 7.076 1.00 0.00 C ATOM 579 O ILE A 46 -3.217 5.016 6.841 1.00 0.00 O ATOM 580 CB ILE A 46 -0.668 5.290 8.150 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.847 5.394 8.303 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.319 5.242 9.490 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.521 4.064 8.440 1.00 0.00 C ATOM 0 H ILE A 46 -0.042 4.830 5.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.795 3.152 7.935 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.008 6.173 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.258 5.914 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.076 6.002 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.041 6.128 10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.402 5.214 9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.991 4.349 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.596 4.210 8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.137 3.550 9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.321 3.462 7.554 1.00 0.00 H new ATOM 595 N LEU A 47 -3.178 2.803 7.122 1.00 0.00 N ATOM 596 CA LEU A 47 -4.620 2.646 6.944 1.00 0.00 C ATOM 597 C LEU A 47 -5.337 3.042 8.238 1.00 0.00 C ATOM 598 O LEU A 47 -5.243 2.331 9.234 1.00 0.00 O ATOM 599 CB LEU A 47 -4.970 1.189 6.688 1.00 0.00 C ATOM 600 CG LEU A 47 -6.441 0.797 6.926 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.310 0.955 5.686 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.473 -0.623 7.374 1.00 0.00 C ATOM 0 H LEU A 47 -2.678 1.928 7.282 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.924 3.270 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.713 0.950 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.341 0.567 7.325 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.850 1.469 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.334 0.663 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.295 1.995 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.925 0.320 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.505 -0.926 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.035 -1.258 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.902 -0.726 8.297 1.00 0.00 H new ATOM 614 N TYR A 48 -6.059 4.138 8.247 1.00 0.00 N ATOM 615 CA TYR A 48 -6.758 4.532 9.471 1.00 0.00 C ATOM 616 C TYR A 48 -8.080 3.795 9.555 1.00 0.00 C ATOM 617 O TYR A 48 -9.036 4.181 8.897 1.00 0.00 O ATOM 618 CB TYR A 48 -7.038 6.036 9.539 1.00 0.00 C ATOM 619 CG TYR A 48 -5.823 6.877 9.741 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.774 6.713 8.905 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.729 7.828 10.750 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.647 7.442 9.021 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.582 8.588 10.890 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.535 8.388 10.013 1.00 0.00 C ATOM 625 OH TYR A 48 -2.387 9.136 10.121 1.00 0.00 O ATOM 0 H TYR A 48 -6.183 4.764 7.451 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.104 4.275 10.305 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.530 6.344 8.617 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.738 6.227 10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.841 5.975 8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.556 7.974 11.429 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.830 7.283 8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.507 9.327 11.674 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.068 9.376 9.226 1.00 0.00 H new ATOM 635 N THR A 49 -8.149 2.736 10.338 1.00 0.00 N ATOM 636 CA THR A 49 -9.401 2.008 10.464 1.00 0.00 C ATOM 637 C THR A 49 -10.370 2.752 11.376 1.00 0.00 C ATOM 638 O THR A 49 -10.027 3.802 11.931 1.00 0.00 O ATOM 639 CB THR A 49 -9.215 0.599 11.006 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.394 0.640 12.155 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.606 -0.302 9.961 1.00 0.00 C ATOM 0 H THR A 49 -7.373 2.365 10.886 1.00 0.00 H new ATOM 0 HA THR A 49 -9.806 1.935 9.455 1.00 0.00 H new ATOM 0 HB THR A 49 -10.191 0.194 11.273 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.462 0.778 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.483 -1.304 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.261 -0.345 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.634 0.091 9.664 1.00 0.00 H new ATOM 649 N ARG A 50 -11.560 2.201 11.558 1.00 0.00 N ATOM 650 CA ARG A 50 -12.554 2.821 12.416 1.00 0.00 C ATOM 651 C ARG A 50 -12.119 2.803 13.868 1.00 0.00 C ATOM 652 O ARG A 50 -11.795 3.835 14.454 1.00 0.00 O ATOM 653 CB ARG A 50 -13.871 2.077 12.304 1.00 0.00 C ATOM 654 CG ARG A 50 -14.956 2.876 11.641 1.00 0.00 C ATOM 655 CD ARG A 50 -16.214 2.845 12.475 1.00 0.00 C ATOM 656 NE ARG A 50 -17.334 3.474 11.778 1.00 0.00 N ATOM 657 CZ ARG A 50 -18.199 4.326 12.323 1.00 0.00 C ATOM 658 NH1 ARG A 50 -18.059 4.733 13.578 1.00 0.00 N ATOM 659 NH2 ARG A 50 -19.203 4.784 11.596 1.00 0.00 N ATOM 0 H ARG A 50 -11.859 1.328 11.124 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.669 3.855 12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.713 1.157 11.741 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.202 1.788 13.302 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.627 3.906 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.159 2.473 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.467 1.812 12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.038 3.358 13.420 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.463 3.241 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.279 4.393 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.731 5.386 13.980 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.309 4.484 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.872 5.437 12.004 1.00 0.00 H new ATOM 673 N LYS A 51 -12.124 1.617 14.439 1.00 0.00 N ATOM 674 CA LYS A 51 -11.828 1.437 15.845 1.00 0.00 C ATOM 675 C LYS A 51 -10.577 0.598 16.051 1.00 0.00 C ATOM 676 O LYS A 51 -10.071 0.466 17.164 1.00 0.00 O ATOM 677 CB LYS A 51 -13.049 0.862 16.518 1.00 0.00 C ATOM 678 CG LYS A 51 -14.151 1.902 16.660 1.00 0.00 C ATOM 679 CD LYS A 51 -13.889 2.804 17.858 1.00 0.00 C ATOM 680 CE LYS A 51 -13.069 4.044 17.532 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.610 4.822 16.392 1.00 0.00 N ATOM 0 H LYS A 51 -12.333 0.751 13.942 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.601 2.398 16.307 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.419 0.015 15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.777 0.482 17.503 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.210 2.503 15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.114 1.405 16.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.844 3.114 18.282 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.371 2.230 18.626 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.027 4.685 18.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.045 3.745 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.531 5.839 16.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.070 4.599 15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.610 4.575 16.246 1.00 0.00 H new ATOM 695 N ARG A 52 -10.085 0.036 14.961 1.00 0.00 N ATOM 696 CA ARG A 52 -8.838 -0.711 14.969 1.00 0.00 C ATOM 697 C ARG A 52 -7.649 0.269 14.946 1.00 0.00 C ATOM 698 O ARG A 52 -6.501 -0.110 15.177 1.00 0.00 O ATOM 699 CB ARG A 52 -8.831 -1.660 13.758 1.00 0.00 C ATOM 700 CG ARG A 52 -7.571 -2.488 13.576 1.00 0.00 C ATOM 701 CD ARG A 52 -7.311 -3.375 14.773 1.00 0.00 C ATOM 702 NE ARG A 52 -6.545 -2.711 15.825 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.113 -3.326 16.926 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.336 -4.626 17.091 1.00 0.00 N ATOM 705 NH2 ARG A 52 -5.441 -2.650 17.849 1.00 0.00 N ATOM 0 H ARG A 52 -10.536 0.084 14.048 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.746 -1.309 15.875 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.680 -2.338 13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.988 -1.069 12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.665 -3.102 12.681 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.719 -1.826 13.421 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.264 -3.710 15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.773 -4.265 14.447 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.328 -1.721 15.711 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.837 -5.152 16.375 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.006 -5.097 17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.253 -1.656 17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.112 -3.124 18.690 1.00 0.00 H new ATOM 719 N ASP A 53 -7.976 1.547 14.698 1.00 0.00 N ATOM 720 CA ASP A 53 -7.012 2.640 14.616 1.00 0.00 C ATOM 721 C ASP A 53 -6.026 2.460 13.461 1.00 0.00 C ATOM 722 O ASP A 53 -6.051 1.458 12.750 1.00 0.00 O ATOM 723 CB ASP A 53 -6.325 2.821 15.970 1.00 0.00 C ATOM 724 CG ASP A 53 -5.122 3.749 15.968 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.284 4.945 15.631 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.010 3.295 16.302 1.00 0.00 O ATOM 0 H ASP A 53 -8.939 1.849 14.547 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.546 3.562 14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.057 3.203 16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.008 1.843 16.332 1.00 0.00 H new ATOM 731 N SER A 54 -5.226 3.482 13.250 1.00 0.00 N ATOM 732 CA SER A 54 -4.232 3.525 12.189 1.00 0.00 C ATOM 733 C SER A 54 -3.414 2.243 12.117 1.00 0.00 C ATOM 734 O SER A 54 -2.492 2.015 12.901 1.00 0.00 O ATOM 735 CB SER A 54 -3.311 4.724 12.381 1.00 0.00 C ATOM 736 OG SER A 54 -2.744 4.733 13.681 1.00 0.00 O ATOM 0 H SER A 54 -5.245 4.327 13.821 1.00 0.00 H new ATOM 0 HA SER A 54 -4.767 3.624 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.517 4.699 11.635 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.871 5.645 12.219 1.00 0.00 H new ATOM 0 HG SER A 54 -2.446 3.829 13.914 1.00 0.00 H new ATOM 742 N VAL A 55 -3.804 1.402 11.189 1.00 0.00 N ATOM 743 CA VAL A 55 -3.023 0.249 10.800 1.00 0.00 C ATOM 744 C VAL A 55 -1.945 0.724 9.852 1.00 0.00 C ATOM 745 O VAL A 55 -2.071 1.797 9.277 1.00 0.00 O ATOM 746 CB VAL A 55 -3.869 -0.795 10.083 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.138 -2.089 9.990 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.189 -1.021 10.771 1.00 0.00 C ATOM 0 H VAL A 55 -4.681 1.499 10.677 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.609 -0.212 11.697 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.065 -0.409 9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.759 -2.822 9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.211 -1.944 9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.908 -2.450 10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.759 -1.773 10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.014 -1.367 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.751 -0.087 10.796 1.00 0.00 H new ATOM 758 N LYS A 56 -0.885 -0.034 9.683 1.00 0.00 N ATOM 759 CA LYS A 56 0.213 0.447 8.841 1.00 0.00 C ATOM 760 C LYS A 56 0.686 -0.644 7.884 1.00 0.00 C ATOM 761 O LYS A 56 0.648 -1.825 8.226 1.00 0.00 O ATOM 762 CB LYS A 56 1.442 0.919 9.637 1.00 0.00 C ATOM 763 CG LYS A 56 1.234 1.464 11.052 1.00 0.00 C ATOM 764 CD LYS A 56 0.098 2.454 11.214 1.00 0.00 C ATOM 765 CE LYS A 56 0.602 3.816 11.646 1.00 0.00 C ATOM 766 NZ LYS A 56 1.643 3.737 12.703 1.00 0.00 N ATOM 0 H LYS A 56 -0.750 -0.957 10.097 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.203 1.299 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.135 0.080 9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.937 1.695 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.058 0.623 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.158 1.943 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.441 2.547 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.611 2.077 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.009 4.339 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.236 4.409 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.572 4.569 13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.502 2.873 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.585 3.714 12.262 1.00 0.00 H new ATOM 780 N TRP A 57 1.135 -0.242 6.692 1.00 0.00 N ATOM 781 CA TRP A 57 1.754 -1.175 5.755 1.00 0.00 C ATOM 782 C TRP A 57 3.084 -0.684 5.237 1.00 0.00 C ATOM 783 O TRP A 57 3.148 0.154 4.344 1.00 0.00 O ATOM 784 CB TRP A 57 0.831 -1.526 4.599 1.00 0.00 C ATOM 785 CG TRP A 57 -0.031 -2.659 4.997 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.239 -3.980 4.834 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.268 -2.578 5.683 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.772 -4.734 5.377 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.711 -3.891 5.903 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.048 -1.516 6.124 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.901 -4.164 6.555 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.224 -1.794 6.763 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.640 -3.101 6.976 1.00 0.00 C ATOM 0 H TRP A 57 1.081 0.720 6.357 1.00 0.00 H new ATOM 0 HA TRP A 57 1.940 -2.084 6.327 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.220 -0.664 4.331 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.415 -1.789 3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.118 -4.378 4.349 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.815 -5.753 5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.733 -0.495 5.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.230 -5.179 6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.843 -0.979 7.110 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.574 -3.279 7.489 1.00 0.00 H new ATOM 804 N HIS A 58 4.154 -1.220 5.797 1.00 0.00 N ATOM 805 CA HIS A 58 5.477 -0.855 5.350 1.00 0.00 C ATOM 806 C HIS A 58 5.726 -1.423 3.949 1.00 0.00 C ATOM 807 O HIS A 58 5.382 -2.562 3.647 1.00 0.00 O ATOM 808 CB HIS A 58 6.561 -1.330 6.325 1.00 0.00 C ATOM 809 CG HIS A 58 7.893 -0.728 6.014 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.754 -1.259 5.085 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.462 0.420 6.434 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.787 -0.450 4.933 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.638 0.574 5.746 1.00 0.00 N ATOM 0 H HIS A 58 4.129 -1.903 6.555 1.00 0.00 H new ATOM 0 HA HIS A 58 5.532 0.233 5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.273 -1.068 7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.635 -2.417 6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.064 1.095 7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.614 -0.603 4.256 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.289 1.353 5.847 1.00 0.00 H new ATOM 822 N TYR A 59 6.336 -0.596 3.116 1.00 0.00 N ATOM 823 CA TYR A 59 6.560 -0.871 1.700 1.00 0.00 C ATOM 824 C TYR A 59 7.367 -2.140 1.465 1.00 0.00 C ATOM 825 O TYR A 59 7.203 -2.810 0.452 1.00 0.00 O ATOM 826 CB TYR A 59 7.285 0.321 1.096 1.00 0.00 C ATOM 827 CG TYR A 59 6.364 1.419 0.663 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.272 1.752 1.429 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.567 2.090 -0.521 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.397 2.736 1.040 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.710 3.081 -0.924 1.00 0.00 C ATOM 832 CZ TYR A 59 4.628 3.405 -0.142 1.00 0.00 C ATOM 833 OH TYR A 59 3.783 4.400 -0.547 1.00 0.00 O ATOM 0 H TYR A 59 6.700 0.310 3.411 1.00 0.00 H new ATOM 0 HA TYR A 59 5.591 -1.028 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.991 0.716 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.868 -0.014 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.099 1.228 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.413 1.832 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.541 2.982 1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.885 3.605 -1.852 1.00 0.00 H new ATOM 0 HH TYR A 59 3.928 5.197 0.005 1.00 0.00 H new ATOM 843 N LEU A 60 8.222 -2.466 2.417 1.00 0.00 N ATOM 844 CA LEU A 60 9.036 -3.680 2.365 1.00 0.00 C ATOM 845 C LEU A 60 8.200 -4.901 2.694 1.00 0.00 C ATOM 846 O LEU A 60 8.720 -5.956 3.051 1.00 0.00 O ATOM 847 CB LEU A 60 10.218 -3.573 3.329 1.00 0.00 C ATOM 848 CG LEU A 60 11.556 -3.248 2.677 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.072 -4.426 1.864 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.407 -2.027 1.808 1.00 0.00 C ATOM 0 H LEU A 60 8.376 -1.900 3.251 1.00 0.00 H new ATOM 0 HA LEU A 60 9.421 -3.789 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.995 -2.804 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.314 -4.515 3.868 1.00 0.00 H new ATOM 0 HG LEU A 60 12.287 -3.045 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.028 -4.164 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.204 -5.289 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.354 -4.670 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.364 -1.794 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.663 -2.219 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.086 -1.183 2.418 1.00 0.00 H new ATOM 862 N CYS A 61 6.900 -4.734 2.629 1.00 0.00 N ATOM 863 CA CYS A 61 5.996 -5.814 2.911 1.00 0.00 C ATOM 864 C CYS A 61 4.963 -5.946 1.796 1.00 0.00 C ATOM 865 O CYS A 61 4.352 -7.000 1.642 1.00 0.00 O ATOM 866 CB CYS A 61 5.315 -5.578 4.259 1.00 0.00 C ATOM 867 SG CYS A 61 4.791 -7.085 5.100 1.00 0.00 S ATOM 0 H CYS A 61 6.447 -3.854 2.382 1.00 0.00 H new ATOM 0 HA CYS A 61 6.557 -6.747 2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.000 -5.033 4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.445 -4.940 4.106 1.00 0.00 H new ATOM 0 HG CYS A 61 4.229 -6.778 6.231 1.00 0.00 H new ATOM 873 N LEU A 62 4.788 -4.875 1.015 1.00 0.00 N ATOM 874 CA LEU A 62 3.834 -4.865 -0.089 1.00 0.00 C ATOM 875 C LEU A 62 4.318 -5.731 -1.249 1.00 0.00 C ATOM 876 O LEU A 62 4.849 -5.206 -2.221 1.00 0.00 O ATOM 877 CB LEU A 62 3.649 -3.445 -0.637 1.00 0.00 C ATOM 878 CG LEU A 62 2.868 -2.418 0.197 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.824 -1.752 -0.676 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.195 -3.022 1.413 1.00 0.00 C ATOM 0 H LEU A 62 5.300 -4.001 1.132 1.00 0.00 H new ATOM 0 HA LEU A 62 2.896 -5.253 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.641 -3.032 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.153 -3.528 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 62 3.592 -1.691 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.268 -1.023 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.314 -1.248 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.137 -2.506 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.661 -2.243 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.491 -3.790 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.949 -3.467 2.062 1.00 0.00 H new ATOM 892 N ARG A 63 4.120 -7.038 -1.166 1.00 0.00 N ATOM 893 CA ARG A 63 4.473 -7.924 -2.263 1.00 0.00 C ATOM 894 C ARG A 63 3.728 -7.525 -3.524 1.00 0.00 C ATOM 895 O ARG A 63 4.347 -7.234 -4.544 1.00 0.00 O ATOM 896 CB ARG A 63 4.161 -9.387 -1.957 1.00 0.00 C ATOM 897 CG ARG A 63 5.030 -10.022 -0.890 1.00 0.00 C ATOM 898 CD ARG A 63 4.982 -11.532 -1.024 1.00 0.00 C ATOM 899 NE ARG A 63 5.310 -12.225 0.216 1.00 0.00 N ATOM 900 CZ ARG A 63 4.454 -13.027 0.851 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.230 -13.207 0.370 1.00 0.00 N ATOM 902 NH2 ARG A 63 4.822 -13.656 1.956 1.00 0.00 N ATOM 0 H ARG A 63 3.718 -7.506 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 63 5.549 -7.826 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.119 -9.463 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.262 -9.964 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.057 -9.671 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.684 -9.724 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.985 -11.831 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.677 -11.844 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 63 6.238 -12.090 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.943 -12.732 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.576 -13.820 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.764 -13.529 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.164 -14.268 2.438 1.00 0.00 H new ATOM 916 N ARG A 64 2.397 -7.491 -3.460 1.00 0.00 N ATOM 917 CA ARG A 64 1.629 -7.147 -4.655 1.00 0.00 C ATOM 918 C ARG A 64 0.501 -6.170 -4.376 1.00 0.00 C ATOM 919 O ARG A 64 -0.439 -6.472 -3.668 1.00 0.00 O ATOM 920 CB ARG A 64 1.117 -8.403 -5.368 1.00 0.00 C ATOM 921 CG ARG A 64 0.103 -9.266 -4.664 1.00 0.00 C ATOM 922 CD ARG A 64 -0.173 -10.482 -5.532 1.00 0.00 C ATOM 923 NE ARG A 64 -0.272 -11.719 -4.753 1.00 0.00 N ATOM 924 CZ ARG A 64 0.277 -12.879 -5.117 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.931 -12.986 -6.267 1.00 0.00 N ATOM 926 NH2 ARG A 64 0.188 -13.931 -4.314 1.00 0.00 N ATOM 0 H ARG A 64 1.845 -7.690 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 64 2.318 -6.633 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.684 -8.091 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.980 -9.027 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.478 -9.573 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.816 -8.707 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.101 -10.328 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.622 -10.585 -6.271 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.794 -11.691 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.017 -12.177 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.347 -13.878 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.299 -13.851 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.607 -14.820 -4.589 1.00 0.00 H new ATOM 940 N TYR A 65 0.574 -5.022 -5.021 1.00 0.00 N ATOM 941 CA TYR A 65 -0.305 -3.901 -4.724 1.00 0.00 C ATOM 942 C TYR A 65 -0.969 -3.399 -5.981 1.00 0.00 C ATOM 943 O TYR A 65 -0.351 -3.358 -7.036 1.00 0.00 O ATOM 944 CB TYR A 65 0.483 -2.787 -4.035 1.00 0.00 C ATOM 945 CG TYR A 65 1.752 -2.388 -4.753 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.838 -3.250 -4.820 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.875 -1.144 -5.345 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.996 -2.884 -5.465 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.023 -0.772 -5.980 1.00 0.00 C ATOM 950 CZ TYR A 65 4.085 -1.642 -6.046 1.00 0.00 C ATOM 951 OH TYR A 65 5.239 -1.264 -6.693 1.00 0.00 O ATOM 0 H TYR A 65 1.244 -4.837 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.089 -4.237 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.158 -1.910 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.737 -3.108 -3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.772 -4.224 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.045 -0.454 -5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.830 -3.568 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.098 0.206 -6.431 1.00 0.00 H new ATOM 0 HH TYR A 65 5.825 -0.790 -6.067 1.00 0.00 H new ATOM 961 N GLY A 66 -2.232 -3.027 -5.871 1.00 0.00 N ATOM 962 CA GLY A 66 -3.014 -2.799 -7.056 1.00 0.00 C ATOM 963 C GLY A 66 -4.085 -1.761 -6.917 1.00 0.00 C ATOM 964 O GLY A 66 -4.156 -1.020 -5.939 1.00 0.00 O ATOM 0 H GLY A 66 -2.723 -2.881 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.345 -2.503 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.477 -3.740 -7.354 1.00 0.00 H new ATOM 968 N TYR A 67 -4.961 -1.806 -7.893 1.00 0.00 N ATOM 969 CA TYR A 67 -6.008 -0.824 -8.095 1.00 0.00 C ATOM 970 C TYR A 67 -7.023 -1.391 -9.082 1.00 0.00 C ATOM 971 O TYR A 67 -6.642 -1.849 -10.159 1.00 0.00 O ATOM 972 CB TYR A 67 -5.398 0.467 -8.658 1.00 0.00 C ATOM 973 CG TYR A 67 -6.265 1.167 -9.682 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.552 1.555 -9.366 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.795 1.436 -10.962 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.356 2.185 -10.279 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.594 2.073 -11.891 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.876 2.444 -11.547 1.00 0.00 C ATOM 979 OH TYR A 67 -8.679 3.079 -12.470 1.00 0.00 O ATOM 0 H TYR A 67 -4.967 -2.549 -8.592 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.499 -0.599 -7.149 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.203 1.153 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.435 0.233 -9.113 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.934 1.357 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.792 1.143 -11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.360 2.477 -10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.216 2.279 -12.882 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.189 3.186 -13.312 1.00 0.00 H new ATOM 989 N ASP A 68 -8.297 -1.397 -8.714 1.00 0.00 N ATOM 990 CA ASP A 68 -9.336 -1.713 -9.674 1.00 0.00 C ATOM 991 C ASP A 68 -10.679 -1.119 -9.290 1.00 0.00 C ATOM 992 O ASP A 68 -11.218 -1.456 -8.254 1.00 0.00 O ATOM 993 CB ASP A 68 -9.480 -3.202 -9.847 1.00 0.00 C ATOM 994 CG ASP A 68 -10.371 -3.537 -11.042 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.619 -3.511 -10.923 1.00 0.00 O ATOM 996 OD2 ASP A 68 -9.819 -3.809 -12.126 1.00 0.00 O ATOM 0 H ASP A 68 -8.629 -1.190 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.025 -1.266 -10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.497 -3.651 -9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.903 -3.636 -8.941 1.00 0.00 H new ATOM 1001 N SER A 69 -11.211 -0.231 -10.124 1.00 0.00 N ATOM 1002 CA SER A 69 -12.555 0.308 -9.926 1.00 0.00 C ATOM 1003 C SER A 69 -12.760 0.789 -8.484 1.00 0.00 C ATOM 1004 O SER A 69 -13.724 0.402 -7.815 1.00 0.00 O ATOM 1005 CB SER A 69 -13.592 -0.763 -10.289 1.00 0.00 C ATOM 1006 OG SER A 69 -14.912 -0.245 -10.264 1.00 0.00 O ATOM 0 H SER A 69 -10.731 0.133 -10.947 1.00 0.00 H new ATOM 0 HA SER A 69 -12.681 1.172 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.375 -1.158 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.515 -1.596 -9.590 1.00 0.00 H new ATOM 0 HG SER A 69 -15.105 0.116 -9.374 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.835 1.626 -8.011 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.868 2.139 -6.641 1.00 0.00 C ATOM 1014 C ASN A 70 -11.630 1.020 -5.622 1.00 0.00 C ATOM 1015 O ASN A 70 -12.165 1.039 -4.522 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.182 2.858 -6.357 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.409 4.035 -7.291 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.462 4.667 -7.757 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.660 4.334 -7.583 1.00 0.00 N ATOM 0 H ASN A 70 -11.047 1.965 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.058 2.861 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.008 2.154 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.186 3.210 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.865 5.110 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.422 3.789 -7.179 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.834 0.038 -6.018 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.347 -1.006 -5.115 1.00 0.00 C ATOM 1028 C LEU A 71 -8.802 -0.944 -5.127 1.00 0.00 C ATOM 1029 O LEU A 71 -8.201 -1.247 -6.144 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.807 -2.396 -5.645 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.650 -3.308 -4.723 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.315 -4.794 -4.870 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.523 -2.920 -3.274 1.00 0.00 C ATOM 0 H LEU A 71 -10.504 -0.062 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.735 -0.860 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.382 -2.227 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.914 -2.952 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.679 -3.158 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.942 -5.377 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.498 -5.108 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.266 -4.957 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.132 -3.587 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.480 -2.998 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.865 -1.894 -3.141 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.153 -0.547 -4.035 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.680 -0.567 -3.984 1.00 0.00 C ATOM 1047 C PHE A 72 -6.237 -1.710 -3.095 1.00 0.00 C ATOM 1048 O PHE A 72 -6.822 -1.944 -2.043 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.072 0.780 -3.510 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.008 0.688 -2.443 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.361 0.649 -1.114 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.651 0.673 -2.758 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.403 0.598 -0.140 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.705 0.629 -1.781 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.078 0.595 -0.485 1.00 0.00 C ATOM 0 H PHE A 72 -8.606 -0.212 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.308 -0.717 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.647 1.288 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.880 1.409 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.405 0.659 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.345 0.697 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.691 0.560 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.657 0.621 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.324 0.565 0.288 1.00 0.00 H new ATOM 1065 N SER A 73 -5.227 -2.429 -3.519 1.00 0.00 N ATOM 1066 CA SER A 73 -4.811 -3.609 -2.795 1.00 0.00 C ATOM 1067 C SER A 73 -3.301 -3.642 -2.596 1.00 0.00 C ATOM 1068 O SER A 73 -2.572 -2.872 -3.214 1.00 0.00 O ATOM 1069 CB SER A 73 -5.275 -4.846 -3.547 1.00 0.00 C ATOM 1070 OG SER A 73 -4.860 -6.037 -2.905 1.00 0.00 O ATOM 0 H SER A 73 -4.680 -2.222 -4.355 1.00 0.00 H new ATOM 0 HA SER A 73 -5.267 -3.587 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.362 -4.836 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.880 -4.824 -4.563 1.00 0.00 H new ATOM 0 HG SER A 73 -4.976 -5.944 -1.936 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.858 -4.513 -1.698 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.449 -4.832 -1.524 1.00 0.00 C ATOM 1078 C PHE A 74 -1.310 -6.169 -0.787 1.00 0.00 C ATOM 1079 O PHE A 74 -2.088 -6.473 0.117 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.703 -3.713 -0.799 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.350 -3.195 0.446 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.622 -4.042 1.501 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.664 -1.849 0.571 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.197 -3.570 2.652 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.232 -1.375 1.732 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.499 -2.235 2.768 1.00 0.00 C ATOM 0 H PHE A 74 -3.474 -5.022 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.990 -4.926 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.294 -4.073 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.574 -2.881 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.378 -5.091 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.462 -1.171 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.412 -4.246 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.468 -0.325 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.948 -1.861 3.677 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.370 -6.998 -1.218 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.082 -8.233 -0.519 1.00 0.00 C ATOM 1098 C GLU A 75 0.987 -7.996 0.506 1.00 0.00 C ATOM 1099 O GLU A 75 2.144 -7.854 0.143 1.00 0.00 O ATOM 1100 CB GLU A 75 0.391 -9.341 -1.440 1.00 0.00 C ATOM 1101 CG GLU A 75 0.730 -10.617 -0.680 1.00 0.00 C ATOM 1102 CD GLU A 75 0.935 -11.818 -1.573 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.053 -12.517 -1.864 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.090 -12.093 -1.952 1.00 0.00 O ATOM 0 H GLU A 75 0.202 -6.835 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.017 -8.550 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.384 -9.554 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.270 -9.004 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.635 -10.452 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.072 -10.833 0.026 1.00 0.00 H new ATOM 1111 N SER A 76 0.619 -7.950 1.763 1.00 0.00 N ATOM 1112 CA SER A 76 1.599 -7.780 2.808 1.00 0.00 C ATOM 1113 C SER A 76 2.110 -9.153 3.245 1.00 0.00 C ATOM 1114 O SER A 76 1.325 -10.055 3.547 1.00 0.00 O ATOM 1115 CB SER A 76 0.984 -6.991 3.960 1.00 0.00 C ATOM 1116 OG SER A 76 -0.072 -7.709 4.582 1.00 0.00 O ATOM 0 H SER A 76 -0.345 -8.027 2.086 1.00 0.00 H new ATOM 0 HA SER A 76 2.454 -7.210 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.754 -6.764 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.607 -6.038 3.589 1.00 0.00 H new ATOM 0 HG SER A 76 -0.016 -8.655 4.332 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.208 -10.821 1.029 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.735 -9.925 0.013 1.00 0.00 C ATOM 1252 C ILE A 86 -4.796 -9.055 0.661 1.00 0.00 C ATOM 1253 O ILE A 86 -5.911 -9.512 0.923 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.376 -10.658 -1.194 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.326 -11.286 -2.110 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.246 -9.703 -1.990 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.351 -10.293 -2.704 1.00 0.00 C ATOM 0 HA ILE A 86 -2.896 -9.348 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.990 -11.463 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.768 -12.034 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.833 -11.810 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.689 -10.232 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.038 -9.313 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.637 -8.877 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.639 -10.818 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.896 -9.559 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.814 -9.786 -1.902 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.450 -7.825 0.960 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.404 -6.925 1.558 1.00 0.00 C ATOM 1271 C PHE A 87 -5.814 -5.892 0.539 1.00 0.00 C ATOM 1272 O PHE A 87 -4.972 -5.265 -0.104 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.812 -6.255 2.793 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.828 -5.796 3.808 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.195 -5.898 3.580 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.400 -5.264 5.004 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.101 -5.473 4.535 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.300 -4.839 5.958 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.646 -4.940 5.727 1.00 0.00 C ATOM 0 H PHE A 87 -3.524 -7.428 0.800 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.281 -7.489 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.127 -6.952 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.221 -5.396 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.553 -6.313 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.341 -5.178 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.162 -5.557 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.943 -4.426 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.350 -4.604 6.474 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.103 -5.743 0.366 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.619 -4.792 -0.576 1.00 0.00 C ATOM 1291 C ALA A 88 -8.658 -3.901 0.091 1.00 0.00 C ATOM 1292 O ALA A 88 -9.490 -4.354 0.885 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.177 -5.509 -1.783 1.00 0.00 C ATOM 0 H ALA A 88 -7.815 -6.273 0.870 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.811 -4.147 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.566 -4.779 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.387 -6.091 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.981 -6.176 -1.471 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.583 -2.627 -0.208 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.510 -1.666 0.326 1.00 0.00 C ATOM 1301 C PHE A 89 -10.201 -1.018 -0.832 1.00 0.00 C ATOM 1302 O PHE A 89 -9.599 -0.793 -1.875 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.815 -0.601 1.169 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.732 -1.159 2.008 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.501 -1.333 1.454 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.938 -1.518 3.324 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.473 -1.861 2.180 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.910 -2.048 4.071 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.672 -2.224 3.496 1.00 0.00 C ATOM 0 H PHE A 89 -7.877 -2.230 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.215 -2.177 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.403 0.165 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.550 -0.112 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.335 -1.049 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.912 -1.382 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.503 -1.995 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.074 -2.324 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.861 -2.644 4.072 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.449 -0.735 -0.669 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.193 -0.089 -1.694 1.00 0.00 C ATOM 1321 C LYS A 90 -11.894 1.401 -1.630 1.00 0.00 C ATOM 1322 O LYS A 90 -12.601 2.180 -0.992 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.650 -0.385 -1.492 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.436 -0.555 -2.759 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.658 -1.413 -2.539 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.462 -0.901 -1.377 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.681 -1.723 -1.155 1.00 0.00 N ATOM 0 H LYS A 90 -11.980 -0.945 0.176 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.916 -0.451 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.743 -1.294 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.094 0.423 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.739 0.422 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.804 -1.008 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.272 -1.418 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.357 -2.444 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.848 -0.908 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.748 0.135 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.918 -1.725 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.474 -1.322 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.505 -2.698 -1.471 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.809 1.766 -2.269 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.285 3.114 -2.214 1.00 0.00 C ATOM 1343 C CYS A 91 -10.674 3.824 -3.493 1.00 0.00 C ATOM 1344 O CYS A 91 -10.257 3.413 -4.560 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.760 3.047 -2.090 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.200 1.599 -1.185 1.00 0.00 S ATOM 0 H CYS A 91 -10.258 1.132 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.687 3.655 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.319 3.040 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.401 3.945 -1.588 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.938 1.726 -0.901 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.500 4.852 -3.418 1.00 0.00 N ATOM 1353 CA ALA A 92 -11.928 5.515 -4.636 1.00 0.00 C ATOM 1354 C ALA A 92 -10.772 6.214 -5.326 1.00 0.00 C ATOM 1355 O ALA A 92 -10.753 6.345 -6.547 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.089 6.447 -4.397 1.00 0.00 C ATOM 0 H ALA A 92 -11.879 5.237 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.286 4.739 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.375 6.921 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.934 5.882 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.799 7.213 -3.678 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.791 6.647 -4.556 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.524 7.036 -5.145 1.00 0.00 C ATOM 1364 C ARG A 93 -7.601 5.832 -5.201 1.00 0.00 C ATOM 1365 O ARG A 93 -6.431 5.969 -4.947 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.827 8.169 -4.371 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.175 9.584 -4.821 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.677 9.842 -4.899 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.273 9.370 -6.150 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.582 9.394 -6.401 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.426 9.873 -5.495 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -12.050 8.933 -7.552 1.00 0.00 N ATOM 0 H ARG A 93 -9.844 6.737 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.739 7.409 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.077 8.071 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.749 8.034 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.726 10.298 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.731 9.766 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.169 9.350 -4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.863 10.911 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.652 9.002 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.073 10.224 -4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.427 9.890 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.408 8.558 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.052 8.953 -7.740 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.135 4.649 -5.505 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.313 3.441 -5.636 1.00 0.00 C ATOM 1388 C ALA A 94 -6.223 3.677 -6.642 1.00 0.00 C ATOM 1389 O ALA A 94 -5.054 3.498 -6.367 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.132 2.272 -6.142 1.00 0.00 C ATOM 0 H ALA A 94 -9.131 4.499 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.908 3.216 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.495 1.392 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.943 2.066 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.549 2.516 -7.119 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.671 4.027 -7.831 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.799 4.434 -8.930 1.00 0.00 C ATOM 1398 C GLU A 95 -4.692 5.342 -8.428 1.00 0.00 C ATOM 1399 O GLU A 95 -3.512 5.023 -8.513 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.631 5.174 -9.977 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.858 5.854 -9.385 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.508 6.832 -10.328 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.025 7.977 -10.429 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -9.514 6.468 -10.961 1.00 0.00 O ATOM 0 H GLU A 95 -7.662 4.039 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.344 3.546 -9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.008 5.922 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.948 4.470 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.586 5.093 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.571 6.376 -8.472 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.123 6.459 -7.884 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.256 7.471 -7.321 1.00 0.00 C ATOM 1413 C GLU A 96 -3.360 6.894 -6.234 1.00 0.00 C ATOM 1414 O GLU A 96 -2.153 7.100 -6.239 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.158 8.544 -6.727 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.474 9.835 -6.376 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.853 10.526 -7.567 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.550 11.329 -8.214 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.670 10.280 -7.866 1.00 0.00 O ATOM 0 H GLU A 96 -6.113 6.695 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.603 7.875 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.958 8.757 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.627 8.144 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.196 10.506 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.700 9.638 -5.635 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.973 6.179 -5.306 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.296 5.601 -4.179 1.00 0.00 C ATOM 1428 C LEU A 97 -2.285 4.572 -4.627 1.00 0.00 C ATOM 1429 O LEU A 97 -1.096 4.731 -4.401 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.326 4.955 -3.274 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.951 4.956 -1.818 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.178 4.982 -0.980 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.194 3.706 -1.501 1.00 0.00 C ATOM 0 H LEU A 97 -4.974 5.986 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.761 6.384 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.276 5.475 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.483 3.926 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.341 5.835 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.899 4.983 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.752 5.881 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.784 4.102 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.921 3.704 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.818 2.838 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.291 3.663 -2.110 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.769 3.528 -5.269 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.909 2.494 -5.790 1.00 0.00 C ATOM 1447 C PHE A 98 -0.741 3.133 -6.536 1.00 0.00 C ATOM 1448 O PHE A 98 0.407 2.853 -6.236 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.698 1.546 -6.704 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.821 0.802 -7.650 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.828 0.008 -7.150 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.941 0.950 -9.020 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.050 -0.624 -7.980 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.072 0.294 -9.869 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.066 -0.488 -9.340 1.00 0.00 C ATOM 0 H PHE A 98 -3.763 3.376 -5.442 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.515 1.902 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.252 0.834 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.432 2.120 -7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.737 -0.121 -6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.717 1.581 -9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.839 -1.234 -7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.179 0.392 -10.939 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.629 -0.992 -9.995 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.064 4.013 -7.479 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.066 4.801 -8.216 1.00 0.00 C ATOM 1467 C ASN A 99 0.893 5.477 -7.289 1.00 0.00 C ATOM 1468 O ASN A 99 2.069 5.152 -7.313 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.740 5.866 -9.076 1.00 0.00 C ATOM 1470 CG ASN A 99 0.125 6.302 -10.238 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.938 5.535 -10.750 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.049 7.536 -10.666 1.00 0.00 N ATOM 0 H ASN A 99 -2.026 4.204 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 99 0.479 4.103 -8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.685 5.478 -9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.977 6.732 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.502 7.886 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.734 8.141 -10.213 1.00 0.00 H new ATOM 1479 N MET A 100 0.387 6.395 -6.480 1.00 0.00 N ATOM 1480 CA MET A 100 1.212 7.155 -5.560 1.00 0.00 C ATOM 1481 C MET A 100 2.150 6.202 -4.847 1.00 0.00 C ATOM 1482 O MET A 100 3.363 6.365 -4.889 1.00 0.00 O ATOM 1483 CB MET A 100 0.320 7.886 -4.561 1.00 0.00 C ATOM 1484 CG MET A 100 1.056 8.880 -3.692 1.00 0.00 C ATOM 1485 SD MET A 100 0.324 9.062 -2.073 1.00 0.00 S ATOM 1486 CE MET A 100 -1.347 9.401 -2.548 1.00 0.00 C ATOM 0 H MET A 100 -0.604 6.632 -6.444 1.00 0.00 H new ATOM 0 HA MET A 100 1.800 7.897 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.467 8.408 -5.106 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.169 7.152 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.093 8.562 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.071 9.850 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.997 9.316 -1.677 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.412 10.411 -2.953 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.662 8.685 -3.307 1.00 0.00 H new ATOM 1496 N LEU A 101 1.561 5.185 -4.240 1.00 0.00 N ATOM 1497 CA LEU A 101 2.298 4.065 -3.664 1.00 0.00 C ATOM 1498 C LEU A 101 3.391 3.537 -4.602 1.00 0.00 C ATOM 1499 O LEU A 101 4.558 3.521 -4.214 1.00 0.00 O ATOM 1500 CB LEU A 101 1.305 2.951 -3.310 1.00 0.00 C ATOM 1501 CG LEU A 101 1.862 1.544 -3.142 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.894 1.482 -2.045 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.726 0.593 -2.849 1.00 0.00 C ATOM 0 H LEU A 101 0.550 5.110 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 101 2.807 4.416 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.804 3.228 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.542 2.921 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 101 2.357 1.255 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.268 0.462 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.720 2.152 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.441 1.787 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.119 -0.417 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.223 0.899 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.016 0.609 -3.676 1.00 0.00 H new ATOM 1515 N GLN A 102 3.039 3.109 -5.824 1.00 0.00 N ATOM 1516 CA GLN A 102 4.053 2.560 -6.727 1.00 0.00 C ATOM 1517 C GLN A 102 5.159 3.591 -6.969 1.00 0.00 C ATOM 1518 O GLN A 102 6.331 3.236 -7.034 1.00 0.00 O ATOM 1519 CB GLN A 102 3.527 2.077 -8.092 1.00 0.00 C ATOM 1520 CG GLN A 102 2.061 2.012 -8.284 1.00 0.00 C ATOM 1521 CD GLN A 102 1.725 2.162 -9.762 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.535 2.638 -10.076 1.00 0.00 O flip ATOM 1523 NE2 GLN A 102 2.534 1.821 -10.623 1.00 0.00 N flip ATOM 0 H GLN A 102 2.090 3.132 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 102 4.428 1.675 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.936 2.734 -8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.933 1.082 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.678 1.063 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.575 2.801 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.447 1.457 -10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.292 1.903 -11.611 1.00 0.00 H new ATOM 1532 N GLU A 103 4.787 4.871 -7.082 1.00 0.00 N ATOM 1533 CA GLU A 103 5.777 5.928 -7.286 1.00 0.00 C ATOM 1534 C GLU A 103 6.627 6.105 -6.044 1.00 0.00 C ATOM 1535 O GLU A 103 7.843 6.163 -6.140 1.00 0.00 O ATOM 1536 CB GLU A 103 5.158 7.284 -7.629 1.00 0.00 C ATOM 1537 CG GLU A 103 3.692 7.273 -7.953 1.00 0.00 C ATOM 1538 CD GLU A 103 3.244 8.523 -8.680 1.00 0.00 C ATOM 1539 OE1 GLU A 103 2.926 9.525 -8.009 1.00 0.00 O ATOM 1540 OE2 GLU A 103 3.223 8.522 -9.929 1.00 0.00 O ATOM 0 H GLU A 103 3.821 5.195 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 103 6.379 5.604 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.319 7.958 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.695 7.702 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.466 6.401 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.121 7.170 -7.030 1.00 0.00 H new ATOM 1547 N ILE A 104 5.993 6.214 -4.884 1.00 0.00 N ATOM 1548 CA ILE A 104 6.733 6.312 -3.637 1.00 0.00 C ATOM 1549 C ILE A 104 7.710 5.149 -3.538 1.00 0.00 C ATOM 1550 O ILE A 104 8.864 5.314 -3.139 1.00 0.00 O ATOM 1551 CB ILE A 104 5.814 6.328 -2.403 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.091 7.657 -2.294 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.619 6.102 -1.155 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.601 7.527 -2.247 1.00 0.00 C ATOM 0 H ILE A 104 4.978 6.236 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 104 7.270 7.261 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 104 5.081 5.529 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.431 8.173 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.366 8.281 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.958 6.115 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.119 5.135 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.364 6.891 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.152 8.517 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.249 7.039 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.315 6.930 -1.381 1.00 0.00 H new ATOM 1566 N MET A 105 7.241 3.983 -3.955 1.00 0.00 N ATOM 1567 CA MET A 105 8.071 2.797 -4.027 1.00 0.00 C ATOM 1568 C MET A 105 9.299 3.040 -4.904 1.00 0.00 C ATOM 1569 O MET A 105 10.427 2.714 -4.528 1.00 0.00 O ATOM 1570 CB MET A 105 7.279 1.623 -4.575 1.00 0.00 C ATOM 1571 CG MET A 105 6.246 1.087 -3.608 1.00 0.00 C ATOM 1572 SD MET A 105 5.953 -0.661 -3.857 1.00 0.00 S ATOM 1573 CE MET A 105 5.077 -1.039 -2.359 1.00 0.00 C ATOM 0 H MET A 105 6.276 3.835 -4.252 1.00 0.00 H new ATOM 0 HA MET A 105 8.403 2.564 -3.015 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.780 1.929 -5.494 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.969 0.821 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.581 1.258 -2.585 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.312 1.634 -3.733 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.645 -1.767 -1.779 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.949 -0.129 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.099 -1.453 -2.604 1.00 0.00 H new ATOM 1583 N GLN A 106 9.059 3.633 -6.069 1.00 0.00 N ATOM 1584 CA GLN A 106 10.103 3.902 -7.044 1.00 0.00 C ATOM 1585 C GLN A 106 11.046 5.002 -6.569 1.00 0.00 C ATOM 1586 O GLN A 106 12.263 4.901 -6.696 1.00 0.00 O ATOM 1587 CB GLN A 106 9.464 4.333 -8.349 1.00 0.00 C ATOM 1588 CG GLN A 106 8.576 3.273 -8.957 1.00 0.00 C ATOM 1589 CD GLN A 106 9.321 2.209 -9.743 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.596 2.013 -9.445 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 8.759 1.589 -10.648 1.00 0.00 N flip ATOM 0 H GLN A 106 8.131 3.940 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 106 10.683 2.989 -7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.877 5.235 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.247 4.593 -9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.009 2.790 -8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.853 3.755 -9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.775 1.764 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.278 0.901 -11.193 1.00 0.00 H new ATOM 1600 N ASN A 107 10.461 6.043 -6.004 1.00 0.00 N ATOM 1601 CA ASN A 107 11.168 7.286 -5.742 1.00 0.00 C ATOM 1602 C ASN A 107 11.787 7.338 -4.346 1.00 0.00 C ATOM 1603 O ASN A 107 12.633 8.189 -4.079 1.00 0.00 O ATOM 1604 CB ASN A 107 10.219 8.467 -5.944 1.00 0.00 C ATOM 1605 CG ASN A 107 9.812 8.653 -7.398 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.478 9.352 -8.161 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.710 8.027 -7.784 1.00 0.00 N ATOM 0 H ASN A 107 9.483 6.052 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 107 11.995 7.343 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.326 8.317 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.698 9.378 -5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.384 8.115 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.188 7.457 -7.119 1.00 0.00 H new ATOM 1614 N ASN A 108 11.381 6.446 -3.450 1.00 0.00 N ATOM 1615 CA ASN A 108 11.957 6.442 -2.109 1.00 0.00 C ATOM 1616 C ASN A 108 12.919 5.298 -1.916 1.00 0.00 C ATOM 1617 O ASN A 108 13.865 5.408 -1.134 1.00 0.00 O ATOM 1618 CB ASN A 108 10.893 6.425 -1.001 1.00 0.00 C ATOM 1619 CG ASN A 108 10.181 7.752 -0.899 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.967 7.722 -0.405 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.725 8.798 -1.248 1.00 0.00 N flip ATOM 0 H ASN A 108 10.673 5.732 -3.620 1.00 0.00 H new ATOM 0 HA ASN A 108 12.506 7.380 -2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.168 5.636 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.363 6.189 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.671 8.779 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.230 9.685 -1.158 1.00 0.00 H new ATOM 1628 N SER A 109 12.668 4.198 -2.622 1.00 0.00 N ATOM 1629 CA SER A 109 13.402 2.941 -2.429 1.00 0.00 C ATOM 1630 C SER A 109 13.044 2.325 -1.073 1.00 0.00 C ATOM 1631 O SER A 109 13.114 1.106 -0.889 1.00 0.00 O ATOM 1632 CB SER A 109 14.915 3.147 -2.548 1.00 0.00 C ATOM 1633 OG SER A 109 15.247 3.834 -3.746 1.00 0.00 O ATOM 0 H SER A 109 11.951 4.149 -3.345 1.00 0.00 H new ATOM 0 HA SER A 109 13.105 2.253 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.276 3.713 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.419 2.181 -2.528 1.00 0.00 H new ATOM 0 HG SER A 109 16.218 3.954 -3.796 1.00 0.00 H new ATOM 1639 N ILE A 110 12.645 3.197 -0.143 1.00 0.00 N ATOM 1640 CA ILE A 110 12.064 2.822 1.125 1.00 0.00 C ATOM 1641 C ILE A 110 13.094 2.338 2.131 1.00 0.00 C ATOM 1642 O ILE A 110 13.519 1.179 2.134 1.00 0.00 O ATOM 1643 CB ILE A 110 10.911 1.835 0.948 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.711 2.575 0.387 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.554 1.201 2.257 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.834 3.021 -1.046 1.00 0.00 C ATOM 0 H ILE A 110 12.724 4.206 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 110 11.643 3.732 1.553 1.00 0.00 H new ATOM 0 HB ILE A 110 11.216 1.047 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.836 1.931 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.525 3.452 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.731 0.502 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.419 0.666 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.252 1.973 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.923 3.539 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.684 3.696 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.984 2.152 -1.686 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.976 -10.420 -9.548 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.190 -9.674 -9.354 1.00 0.00 C ATOM 1886 C ALA B 496 -5.883 -10.225 -8.141 1.00 0.00 C ATOM 1887 O ALA B 496 -6.116 -11.427 -8.034 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.083 -9.679 -10.573 1.00 0.00 C ATOM 0 HA ALA B 496 -4.944 -8.624 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -6.983 -9.100 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.552 -9.236 -11.415 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.359 -10.705 -10.818 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.122 -9.356 -7.191 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.858 -9.730 -5.997 1.00 0.00 C ATOM 1896 C VAL B 497 -8.324 -9.574 -6.273 1.00 0.00 C ATOM 1897 O VAL B 497 -8.814 -8.487 -6.533 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.431 -8.896 -4.748 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.212 -8.088 -5.063 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.533 -7.972 -4.233 1.00 0.00 C ATOM 0 H VAL B 497 -5.820 -8.382 -7.216 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.630 -10.769 -5.757 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.219 -9.614 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.922 -7.510 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.397 -8.754 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.428 -7.410 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.170 -7.422 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.814 -7.268 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.402 -8.565 -3.950 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.046 -10.653 -6.295 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.413 -10.502 -6.665 1.00 0.00 C ATOM 1912 C ILE B 498 -11.215 -10.377 -5.406 1.00 0.00 C ATOM 1913 O ILE B 498 -11.769 -11.354 -4.900 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.005 -11.594 -7.577 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.130 -11.986 -8.788 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.348 -11.101 -8.099 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.806 -11.299 -8.921 1.00 0.00 C ATOM 0 H ILE B 498 -8.732 -11.598 -6.074 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.462 -9.608 -7.287 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.084 -12.490 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -9.951 -13.060 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.703 -11.796 -9.696 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.787 -11.859 -8.748 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.017 -10.911 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.203 -10.180 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.294 -11.665 -9.811 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -8.961 -10.224 -9.008 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.198 -11.508 -8.041 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.236 -9.173 -4.863 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.875 -8.974 -3.599 1.00 0.00 C ATOM 1931 C ILE B 499 -13.345 -8.680 -3.842 1.00 0.00 C ATOM 1932 O ILE B 499 -13.752 -7.533 -4.046 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.158 -7.872 -2.761 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.954 -8.453 -1.998 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.108 -7.182 -1.801 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.077 -9.921 -1.647 1.00 0.00 C ATOM 0 H ILE B 499 -10.822 -8.338 -5.278 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.802 -9.880 -2.997 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.796 -7.123 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.057 -8.311 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.814 -7.884 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.567 -6.422 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.915 -6.712 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.526 -7.916 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.184 -10.243 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.953 -10.072 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.183 -10.506 -2.561 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.110 -9.772 -3.868 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.548 -9.730 -4.054 1.00 0.00 C ATOM 1950 C GLY B 500 -15.996 -8.783 -5.142 1.00 0.00 C ATOM 1951 O GLY B 500 -16.034 -9.145 -6.318 1.00 0.00 O ATOM 0 H GLY B 500 -13.739 -10.716 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.904 -10.733 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.018 -9.438 -3.115 1.00 0.00 H new ATOM 1955 N MET B 501 -16.331 -7.570 -4.721 1.00 0.00 N ATOM 1956 CA MET B 501 -16.761 -6.507 -5.591 1.00 0.00 C ATOM 1957 C MET B 501 -15.865 -6.381 -6.816 1.00 0.00 C ATOM 1958 O MET B 501 -16.360 -6.275 -7.937 1.00 0.00 O ATOM 1959 CB MET B 501 -16.758 -5.205 -4.787 1.00 0.00 C ATOM 1960 CG MET B 501 -17.620 -4.117 -5.371 1.00 0.00 C ATOM 1961 SD MET B 501 -16.871 -3.268 -6.778 1.00 0.00 S ATOM 1962 CE MET B 501 -15.497 -2.422 -5.993 1.00 0.00 C ATOM 0 H MET B 501 -16.307 -7.301 -3.737 1.00 0.00 H new ATOM 0 HA MET B 501 -17.764 -6.727 -5.958 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.097 -5.417 -3.773 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.734 -4.840 -4.711 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.571 -4.548 -5.683 1.00 0.00 H new ATOM 0 HG3 MET B 501 -17.842 -3.386 -4.594 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.679 -2.316 -6.706 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.819 -1.435 -5.661 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.157 -3.000 -5.134 1.00 0.00 H new ATOM 1972 N THR B 502 -14.554 -6.408 -6.620 1.00 0.00 N ATOM 1973 CA THR B 502 -13.658 -6.131 -7.730 1.00 0.00 C ATOM 1974 C THR B 502 -12.362 -6.933 -7.716 1.00 0.00 C ATOM 1975 O THR B 502 -11.816 -7.262 -6.664 1.00 0.00 O ATOM 1976 CB THR B 502 -13.369 -4.621 -7.778 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.299 -3.961 -8.641 1.00 0.00 O ATOM 1978 CG2 THR B 502 -11.972 -4.325 -8.235 1.00 0.00 C ATOM 0 H THR B 502 -14.099 -6.613 -5.730 1.00 0.00 H new ATOM 0 HA THR B 502 -14.172 -6.454 -8.635 1.00 0.00 H new ATOM 0 HB THR B 502 -13.478 -4.246 -6.760 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.151 -3.840 -8.172 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.816 -3.246 -8.253 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.260 -4.784 -7.549 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.823 -4.729 -9.236 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.895 -7.255 -8.923 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.606 -7.863 -9.120 1.00 0.00 C ATOM 1988 C LYS B 503 -9.517 -6.820 -9.278 1.00 0.00 C ATOM 1989 O LYS B 503 -9.507 -6.072 -10.239 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.644 -8.779 -10.337 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.332 -8.833 -11.105 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.201 -10.089 -11.941 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.514 -10.480 -12.589 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.938 -9.497 -13.620 1.00 0.00 N ATOM 0 H LYS B 503 -12.413 -7.095 -9.787 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.372 -8.452 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.907 -9.786 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.434 -8.443 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.258 -7.960 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.501 -8.780 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.448 -9.933 -12.713 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.849 -10.907 -11.313 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.414 -11.465 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.287 -10.560 -11.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.840 -9.801 -14.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.058 -8.562 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.213 -9.439 -14.363 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.585 -6.806 -8.342 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.540 -5.822 -8.312 1.00 0.00 C ATOM 2010 C ILE B 504 -6.282 -6.316 -8.968 1.00 0.00 C ATOM 2011 O ILE B 504 -5.545 -7.106 -8.394 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.180 -5.436 -6.887 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.418 -4.995 -6.153 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.181 -4.316 -6.911 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.115 -4.200 -4.916 1.00 0.00 C ATOM 0 H ILE B 504 -8.539 -7.484 -7.581 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.932 -4.962 -8.855 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.748 -6.297 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.036 -4.395 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.004 -5.873 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.922 -4.038 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.284 -4.640 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.611 -3.455 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.048 -3.911 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.522 -4.806 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.555 -3.305 -5.187 1.00 0.00 H new ATOM 2027 N PRO B 505 -5.986 -5.802 -10.140 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.787 -6.149 -10.847 1.00 0.00 C ATOM 2029 C PRO B 505 -3.613 -5.416 -10.219 1.00 0.00 C ATOM 2030 O PRO B 505 -3.390 -4.217 -10.438 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.102 -5.704 -12.264 1.00 0.00 C ATOM 2032 CG PRO B 505 -5.998 -4.533 -12.095 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.759 -4.782 -10.834 1.00 0.00 C ATOM 0 HA PRO B 505 -4.507 -7.202 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.196 -5.435 -12.806 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.589 -6.498 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.425 -3.608 -12.030 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.672 -4.431 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.846 -3.874 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.772 -5.125 -11.043 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.941 -6.136 -9.347 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.846 -5.605 -8.574 1.00 0.00 C ATOM 2043 C VAL B 506 -0.512 -5.817 -9.275 1.00 0.00 C ATOM 2044 O VAL B 506 -0.398 -6.584 -10.231 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.789 -6.259 -7.173 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.097 -6.081 -6.426 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.448 -7.728 -7.267 1.00 0.00 C ATOM 0 H VAL B 506 -3.144 -7.117 -9.155 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.023 -4.535 -8.469 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.000 -5.753 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.023 -6.552 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.304 -5.018 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.905 -6.545 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.416 -8.159 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.207 -8.241 -7.858 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.475 -7.846 -7.744 1.00 0.00 H new ATOM 2057 N ILE B 507 0.480 -5.113 -8.777 1.00 0.00 N ATOM 2058 CA ILE B 507 1.837 -5.174 -9.283 1.00 0.00 C ATOM 2059 C ILE B 507 2.763 -5.483 -8.123 1.00 0.00 C ATOM 2060 O ILE B 507 2.357 -5.364 -6.970 1.00 0.00 O ATOM 2061 CB ILE B 507 2.242 -3.847 -9.948 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.501 -2.800 -8.903 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.120 -3.356 -10.833 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.083 -1.518 -9.444 1.00 0.00 C ATOM 0 H ILE B 507 0.366 -4.469 -7.994 1.00 0.00 H new ATOM 0 HA ILE B 507 1.906 -5.954 -10.042 1.00 0.00 H new ATOM 0 HB ILE B 507 3.144 -4.020 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.565 -2.574 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.182 -3.208 -8.156 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.411 -2.416 -11.302 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.914 -4.098 -11.605 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.224 -3.199 -10.232 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.240 -0.816 -8.625 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.036 -1.728 -9.930 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.394 -1.083 -10.168 1.00 0.00 H new ATOM 2076 N GLU B 508 3.984 -5.883 -8.400 1.00 0.00 N ATOM 2077 CA GLU B 508 4.865 -6.324 -7.337 1.00 0.00 C ATOM 2078 C GLU B 508 5.971 -5.306 -7.070 1.00 0.00 C ATOM 2079 O GLU B 508 6.512 -4.694 -7.992 1.00 0.00 O ATOM 2080 CB GLU B 508 5.408 -7.710 -7.663 1.00 0.00 C ATOM 2081 CG GLU B 508 4.292 -8.708 -7.916 1.00 0.00 C ATOM 2082 CD GLU B 508 4.771 -10.135 -7.999 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.353 -10.514 -9.034 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.542 -10.895 -7.037 1.00 0.00 O ATOM 0 H GLU B 508 4.387 -5.913 -9.337 1.00 0.00 H new ATOM 0 HA GLU B 508 4.297 -6.398 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.049 -7.651 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.029 -8.060 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.554 -8.626 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.786 -8.448 -8.846 1.00 0.00 H new ATOM 2091 N ASN B 509 6.271 -5.133 -5.786 1.00 0.00 N ATOM 2092 CA ASN B 509 7.127 -4.046 -5.296 1.00 0.00 C ATOM 2093 C ASN B 509 8.571 -4.181 -5.770 1.00 0.00 C ATOM 2094 O ASN B 509 9.066 -5.289 -5.999 1.00 0.00 O ATOM 2095 CB ASN B 509 7.124 -4.030 -3.766 1.00 0.00 C ATOM 2096 CG ASN B 509 7.902 -5.194 -3.173 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.099 -5.089 -2.923 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.230 -6.307 -2.945 1.00 0.00 N ATOM 0 H ASN B 509 5.926 -5.746 -5.047 1.00 0.00 H new ATOM 0 HA ASN B 509 6.718 -3.119 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.554 -3.092 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.095 -4.063 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.705 -7.117 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.235 -6.357 -3.166 1.00 0.00 H new ATOM 2105 N PRO B 510 9.261 -3.040 -5.938 1.00 0.00 N ATOM 2106 CA PRO B 510 10.701 -3.000 -6.173 1.00 0.00 C ATOM 2107 C PRO B 510 11.506 -3.059 -4.871 1.00 0.00 C ATOM 2108 O PRO B 510 12.721 -3.246 -4.899 1.00 0.00 O ATOM 2109 CB PRO B 510 10.923 -1.638 -6.855 1.00 0.00 C ATOM 2110 CG PRO B 510 9.571 -1.014 -6.993 1.00 0.00 C ATOM 2111 CD PRO B 510 8.694 -1.691 -5.983 1.00 0.00 C ATOM 0 HA PRO B 510 11.031 -3.854 -6.765 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.583 -1.008 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.395 -1.763 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.617 0.060 -6.811 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.180 -1.150 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.736 -1.199 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.648 -1.699 -6.291 1.00 0.00 H new ATOM 2119 N GLN B 511 10.822 -2.913 -3.736 1.00 0.00 N ATOM 2120 CA GLN B 511 11.482 -2.813 -2.430 1.00 0.00 C ATOM 2121 C GLN B 511 12.306 -4.053 -2.109 1.00 0.00 C ATOM 2122 O GLN B 511 13.402 -3.955 -1.553 1.00 0.00 O ATOM 2123 CB GLN B 511 10.448 -2.589 -1.326 1.00 0.00 C ATOM 2124 CG GLN B 511 9.968 -1.151 -1.184 1.00 0.00 C ATOM 2125 CD GLN B 511 9.990 -0.377 -2.483 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.031 -0.396 -3.235 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.088 0.311 -2.751 1.00 0.00 N ATOM 0 H GLN B 511 9.804 -2.861 -3.693 1.00 0.00 H new ATOM 0 HA GLN B 511 12.160 -1.961 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.586 -3.228 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.876 -2.910 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.952 -1.153 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.594 -0.638 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.869 0.301 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.153 0.852 -3.614 1.00 0.00 H new