USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 730 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 26 SER OG : rot -100:sc= 1.17 USER MOD Set 1.2: A 27 GLN : amide:sc= -3.23! C(o=-2.1!,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.075 (180deg=-0.346) USER MOD Single : A 10 SER OG : rot 160:sc= -0.846 USER MOD Single : A 11 ASN : amide:sc=-0.00169 X(o=-0.0017,f=-0.28) USER MOD Single : A 19 CYS SG : rot -25:sc= -8.15! USER MOD Single : A 21 MET CE :methyl 170:sc= -1.53 (180deg=-1.65) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 24 THR OG1 : rot 180:sc=6.17e-05 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.9) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 46 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.09) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0.766 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.0208 (180deg=-0.0835) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.62) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.27 K(o=-0.27,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 62:sc= -0.0914 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -78:sc= 0.944 USER MOD Single : A 87 LYS NZ :NH3+ -139:sc= -0.0255 (180deg=-1.04) USER MOD Single : A 88 SER OG : rot 18:sc= 0.188 USER MOD Single : A 93 GLN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 97 MET CE :methyl 175:sc= -0.787 (180deg=-0.804) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -7.502 19.200 -5.209 1.00 0.00 N ATOM 67 CA LYS A 8 -6.714 18.234 -4.454 1.00 0.00 C ATOM 68 C LYS A 8 -6.009 18.905 -3.279 1.00 0.00 C ATOM 69 O LYS A 8 -5.497 20.018 -3.405 1.00 0.00 O ATOM 70 CB LYS A 8 -5.684 17.562 -5.364 1.00 0.00 C ATOM 71 CG LYS A 8 -6.251 16.415 -6.182 1.00 0.00 C ATOM 72 CD LYS A 8 -5.525 16.262 -7.508 1.00 0.00 C ATOM 73 CE LYS A 8 -6.179 17.094 -8.601 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.519 16.562 -8.975 1.00 0.00 N ATOM 0 HA LYS A 8 -7.393 17.476 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.268 18.308 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.861 17.190 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.172 15.488 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.312 16.587 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.485 16.566 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.520 15.212 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.279 18.125 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.535 17.109 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.769 16.890 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.496 15.522 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.229 16.901 -8.295 1.00 0.00 H new ATOM 88 N ILE A 9 -5.985 18.222 -2.140 1.00 0.00 N ATOM 89 CA ILE A 9 -5.340 18.751 -0.945 1.00 0.00 C ATOM 90 C ILE A 9 -3.869 19.055 -1.204 1.00 0.00 C ATOM 91 O ILE A 9 -3.362 20.104 -0.806 1.00 0.00 O ATOM 92 CB ILE A 9 -5.450 17.770 0.236 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.911 17.616 0.666 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.597 18.246 1.402 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.666 16.571 -0.124 1.00 0.00 C ATOM 0 H ILE A 9 -6.405 17.300 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.860 19.674 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.081 16.796 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.944 17.355 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.416 18.576 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.686 17.542 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.555 18.309 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.938 19.229 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.694 16.516 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.664 16.841 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.185 15.601 0.003 1.00 0.00 H new ATOM 107 N SER A 10 -3.188 18.131 -1.874 1.00 0.00 N ATOM 108 CA SER A 10 -1.773 18.299 -2.185 1.00 0.00 C ATOM 109 C SER A 10 -1.362 17.402 -3.348 1.00 0.00 C ATOM 110 O SER A 10 -1.978 16.366 -3.595 1.00 0.00 O ATOM 111 CB SER A 10 -0.919 17.984 -0.956 1.00 0.00 C ATOM 112 OG SER A 10 0.413 18.436 -1.131 1.00 0.00 O ATOM 0 H SER A 10 -3.593 17.258 -2.212 1.00 0.00 H new ATOM 0 HA SER A 10 -1.611 19.337 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.354 18.457 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.921 16.909 -0.774 1.00 0.00 H new ATOM 0 HG SER A 10 0.847 18.523 -0.256 1.00 0.00 H new ATOM 118 N ASN A 11 -0.316 17.808 -4.060 1.00 0.00 N ATOM 119 CA ASN A 11 0.178 17.042 -5.198 1.00 0.00 C ATOM 120 C ASN A 11 1.451 16.284 -4.832 1.00 0.00 C ATOM 121 O ASN A 11 2.401 16.233 -5.614 1.00 0.00 O ATOM 122 CB ASN A 11 0.447 17.969 -6.386 1.00 0.00 C ATOM 123 CG ASN A 11 -0.562 19.097 -6.478 1.00 0.00 C ATOM 124 OD1 ASN A 11 -1.757 18.896 -6.259 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.085 20.292 -6.805 1.00 0.00 N ATOM 0 H ASN A 11 0.206 18.663 -3.869 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.588 16.318 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.449 18.388 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.425 17.389 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.716 21.089 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.913 20.413 -6.978 1.00 0.00 H new ATOM 132 N ILE A 12 1.461 15.696 -3.641 1.00 0.00 N ATOM 133 CA ILE A 12 2.616 14.940 -3.172 1.00 0.00 C ATOM 134 C ILE A 12 2.719 13.596 -3.886 1.00 0.00 C ATOM 135 O ILE A 12 3.816 13.088 -4.120 1.00 0.00 O ATOM 136 CB ILE A 12 2.551 14.697 -1.653 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.264 13.955 -1.287 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.640 16.017 -0.902 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.096 13.734 0.200 1.00 0.00 C ATOM 0 H ILE A 12 0.682 15.728 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 12 3.498 15.539 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 12 3.399 14.078 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.410 14.519 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.254 12.990 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.593 15.829 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.582 16.510 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.809 16.659 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.163 13.203 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.931 13.143 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.073 14.697 0.711 1.00 0.00 H new ATOM 151 N PHE A 13 1.570 13.026 -4.232 1.00 0.00 N ATOM 152 CA PHE A 13 1.530 11.741 -4.921 1.00 0.00 C ATOM 153 C PHE A 13 1.340 11.935 -6.423 1.00 0.00 C ATOM 154 O PHE A 13 0.955 11.008 -7.134 1.00 0.00 O ATOM 155 CB PHE A 13 0.402 10.873 -4.361 1.00 0.00 C ATOM 156 CG PHE A 13 0.556 10.558 -2.900 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.799 10.246 -2.373 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.541 10.574 -2.055 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.945 9.956 -1.029 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.402 10.286 -0.710 1.00 0.00 C ATOM 161 CZ PHE A 13 0.843 9.976 -0.197 1.00 0.00 C ATOM 0 H PHE A 13 0.654 13.434 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 13 2.483 11.238 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.549 11.383 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.359 9.940 -4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.664 10.229 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.517 10.814 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.919 9.714 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.265 10.303 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.954 9.750 0.853 1.00 0.00 H new ATOM 171 N GLU A 14 1.613 13.147 -6.896 1.00 0.00 N ATOM 172 CA GLU A 14 1.471 13.462 -8.313 1.00 0.00 C ATOM 173 C GLU A 14 2.287 12.498 -9.169 1.00 0.00 C ATOM 174 O GLU A 14 3.447 12.216 -8.871 1.00 0.00 O ATOM 175 CB GLU A 14 1.913 14.902 -8.584 1.00 0.00 C ATOM 176 CG GLU A 14 1.499 15.418 -9.952 1.00 0.00 C ATOM 177 CD GLU A 14 0.136 16.083 -9.936 1.00 0.00 C ATOM 178 OE1 GLU A 14 -0.742 15.619 -9.179 1.00 0.00 O ATOM 179 OE2 GLU A 14 -0.052 17.067 -10.682 1.00 0.00 O ATOM 0 H GLU A 14 1.933 13.926 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 14 0.419 13.356 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.493 15.553 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.998 14.963 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.243 16.131 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.487 14.590 -10.660 1.00 0.00 H new ATOM 186 N ASP A 15 1.670 11.996 -10.234 1.00 0.00 N ATOM 187 CA ASP A 15 2.338 11.064 -11.135 1.00 0.00 C ATOM 188 C ASP A 15 2.758 9.798 -10.394 1.00 0.00 C ATOM 189 O ASP A 15 3.795 9.206 -10.693 1.00 0.00 O ATOM 190 CB ASP A 15 3.561 11.725 -11.773 1.00 0.00 C ATOM 191 CG ASP A 15 3.183 12.737 -12.837 1.00 0.00 C ATOM 192 OD1 ASP A 15 2.081 12.611 -13.410 1.00 0.00 O ATOM 193 OD2 ASP A 15 3.989 13.656 -13.096 1.00 0.00 O ATOM 0 H ASP A 15 0.709 12.219 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 15 1.633 10.788 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.149 12.218 -10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.196 10.957 -12.215 1.00 0.00 H new ATOM 198 N VAL A 16 1.945 9.389 -9.425 1.00 0.00 N ATOM 199 CA VAL A 16 2.232 8.194 -8.640 1.00 0.00 C ATOM 200 C VAL A 16 1.016 7.276 -8.573 1.00 0.00 C ATOM 201 O VAL A 16 -0.101 7.728 -8.325 1.00 0.00 O ATOM 202 CB VAL A 16 2.669 8.554 -7.208 1.00 0.00 C ATOM 203 CG1 VAL A 16 3.184 7.321 -6.481 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.726 9.648 -7.233 1.00 0.00 C ATOM 0 H VAL A 16 1.083 9.867 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 16 3.049 7.675 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 16 1.802 8.930 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.488 7.595 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.394 6.571 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.039 6.912 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.023 9.890 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.595 9.301 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.318 10.538 -7.713 1.00 0.00 H new ATOM 214 N GLU A 17 1.243 5.985 -8.796 1.00 0.00 N ATOM 215 CA GLU A 17 0.165 5.004 -8.761 1.00 0.00 C ATOM 216 C GLU A 17 0.036 4.387 -7.371 1.00 0.00 C ATOM 217 O GLU A 17 0.987 4.386 -6.590 1.00 0.00 O ATOM 218 CB GLU A 17 0.411 3.906 -9.798 1.00 0.00 C ATOM 219 CG GLU A 17 -0.178 4.215 -11.164 1.00 0.00 C ATOM 220 CD GLU A 17 0.729 5.092 -12.005 1.00 0.00 C ATOM 221 OE1 GLU A 17 1.834 4.632 -12.362 1.00 0.00 O ATOM 222 OE2 GLU A 17 0.334 6.237 -12.308 1.00 0.00 O ATOM 0 H GLU A 17 2.163 5.595 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.767 5.517 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.485 3.750 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.013 2.971 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.367 3.281 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.141 4.710 -11.037 1.00 0.00 H new ATOM 229 N PHE A 18 -1.147 3.863 -7.070 1.00 0.00 N ATOM 230 CA PHE A 18 -1.403 3.244 -5.775 1.00 0.00 C ATOM 231 C PHE A 18 -2.417 2.111 -5.904 1.00 0.00 C ATOM 232 O PHE A 18 -3.485 2.284 -6.493 1.00 0.00 O ATOM 233 CB PHE A 18 -1.911 4.288 -4.778 1.00 0.00 C ATOM 234 CG PHE A 18 -0.974 5.448 -4.596 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.960 6.494 -5.504 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.107 5.492 -3.516 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.100 7.563 -5.339 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.755 6.558 -3.345 1.00 0.00 C ATOM 239 CZ PHE A 18 0.760 7.595 -4.258 1.00 0.00 C ATOM 0 H PHE A 18 -1.944 3.855 -7.706 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.465 2.828 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.878 4.661 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.074 3.808 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.629 6.474 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.105 4.684 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.100 8.372 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.425 6.581 -2.498 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.434 8.428 -4.127 1.00 0.00 H new ATOM 249 N CYS A 19 -2.075 0.954 -5.349 1.00 0.00 N ATOM 250 CA CYS A 19 -2.955 -0.209 -5.403 1.00 0.00 C ATOM 251 C CYS A 19 -3.133 -0.820 -4.017 1.00 0.00 C ATOM 252 O CYS A 19 -2.284 -1.578 -3.548 1.00 0.00 O ATOM 253 CB CYS A 19 -2.394 -1.255 -6.367 1.00 0.00 C ATOM 254 SG CYS A 19 -0.682 -1.728 -6.028 1.00 0.00 S ATOM 0 H CYS A 19 -1.196 0.796 -4.857 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.930 0.120 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.021 -2.146 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.458 -0.868 -7.384 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.079 -0.758 -5.407 1.00 0.00 H new ATOM 260 N VAL A 20 -4.241 -0.484 -3.365 1.00 0.00 N ATOM 261 CA VAL A 20 -4.531 -0.999 -2.032 1.00 0.00 C ATOM 262 C VAL A 20 -5.221 -2.356 -2.106 1.00 0.00 C ATOM 263 O VAL A 20 -6.146 -2.552 -2.894 1.00 0.00 O ATOM 264 CB VAL A 20 -5.419 -0.026 -1.235 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.771 -0.614 0.123 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.727 1.320 -1.079 1.00 0.00 C ATOM 0 H VAL A 20 -4.953 0.143 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.575 -1.108 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.345 0.129 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.399 0.088 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.310 -1.551 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.857 -0.800 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.369 1.996 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.785 1.185 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.531 1.745 -2.064 1.00 0.00 H new ATOM 276 N MET A 21 -4.766 -3.291 -1.278 1.00 0.00 N ATOM 277 CA MET A 21 -5.342 -4.631 -1.248 1.00 0.00 C ATOM 278 C MET A 21 -6.227 -4.814 -0.020 1.00 0.00 C ATOM 279 O MET A 21 -7.247 -5.502 -0.075 1.00 0.00 O ATOM 280 CB MET A 21 -4.234 -5.686 -1.254 1.00 0.00 C ATOM 281 CG MET A 21 -3.448 -5.734 -2.555 1.00 0.00 C ATOM 282 SD MET A 21 -4.505 -5.974 -3.996 1.00 0.00 S ATOM 283 CE MET A 21 -3.528 -5.178 -5.269 1.00 0.00 C ATOM 0 H MET A 21 -4.001 -3.146 -0.619 1.00 0.00 H new ATOM 0 HA MET A 21 -5.957 -4.755 -2.139 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.548 -5.485 -0.431 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.675 -6.665 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.887 -4.806 -2.671 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.719 -6.543 -2.505 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.958 -5.395 -6.247 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.525 -4.100 -5.105 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.505 -5.554 -5.231 1.00 0.00 H new ATOM 293 N SER A 22 -5.831 -4.195 1.088 1.00 0.00 N ATOM 294 CA SER A 22 -6.587 -4.294 2.331 1.00 0.00 C ATOM 295 C SER A 22 -6.306 -3.098 3.235 1.00 0.00 C ATOM 296 O SER A 22 -5.335 -2.370 3.035 1.00 0.00 O ATOM 297 CB SER A 22 -6.240 -5.593 3.062 1.00 0.00 C ATOM 298 OG SER A 22 -4.845 -5.692 3.290 1.00 0.00 O ATOM 0 H SER A 22 -4.991 -3.620 1.150 1.00 0.00 H new ATOM 0 HA SER A 22 -7.648 -4.298 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.771 -5.632 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.577 -6.446 2.474 1.00 0.00 H new ATOM 0 HG SER A 22 -4.649 -6.529 3.760 1.00 0.00 H new ATOM 304 N GLY A 23 -7.164 -2.902 4.231 1.00 0.00 N ATOM 305 CA GLY A 23 -6.991 -1.793 5.152 1.00 0.00 C ATOM 306 C GLY A 23 -6.947 -2.243 6.599 1.00 0.00 C ATOM 307 O GLY A 23 -6.798 -3.431 6.884 1.00 0.00 O ATOM 0 H GLY A 23 -7.976 -3.491 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.069 -1.265 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.808 -1.084 5.020 1.00 0.00 H new ATOM 311 N THR A 24 -7.073 -1.290 7.517 1.00 0.00 N ATOM 312 CA THR A 24 -7.044 -1.593 8.942 1.00 0.00 C ATOM 313 C THR A 24 -8.425 -1.431 9.568 1.00 0.00 C ATOM 314 O THR A 24 -9.377 -1.030 8.898 1.00 0.00 O ATOM 315 CB THR A 24 -6.046 -0.687 9.689 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.413 0.687 9.523 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.630 -0.904 9.176 1.00 0.00 C ATOM 0 H THR A 24 -7.196 -0.301 7.299 1.00 0.00 H new ATOM 0 HA THR A 24 -6.724 -2.631 9.037 1.00 0.00 H new ATOM 0 HB THR A 24 -6.076 -0.946 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.775 1.256 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.943 -0.254 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.343 -1.944 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.588 -0.670 8.112 1.00 0.00 H new ATOM 325 N ASP A 25 -8.527 -1.745 10.854 1.00 0.00 N ATOM 326 CA ASP A 25 -9.792 -1.633 11.571 1.00 0.00 C ATOM 327 C ASP A 25 -10.326 -0.206 11.510 1.00 0.00 C ATOM 328 O ASP A 25 -11.455 0.027 11.079 1.00 0.00 O ATOM 329 CB ASP A 25 -9.617 -2.064 13.028 1.00 0.00 C ATOM 330 CG ASP A 25 -10.931 -2.097 13.784 1.00 0.00 C ATOM 331 OD1 ASP A 25 -11.989 -2.203 13.129 1.00 0.00 O ATOM 332 OD2 ASP A 25 -10.901 -2.015 15.030 1.00 0.00 O ATOM 0 H ASP A 25 -7.749 -2.079 11.422 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.514 -2.293 11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.159 -3.052 13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.931 -1.379 13.527 1.00 0.00 H new ATOM 337 N SER A 26 -9.507 0.746 11.946 1.00 0.00 N ATOM 338 CA SER A 26 -9.900 2.151 11.946 1.00 0.00 C ATOM 339 C SER A 26 -10.258 2.615 10.538 1.00 0.00 C ATOM 340 O SER A 26 -11.332 3.171 10.311 1.00 0.00 O ATOM 341 CB SER A 26 -8.771 3.017 12.510 1.00 0.00 C ATOM 342 OG SER A 26 -9.276 4.229 13.042 1.00 0.00 O ATOM 0 H SER A 26 -8.568 0.570 12.304 1.00 0.00 H new ATOM 0 HA SER A 26 -10.781 2.257 12.579 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.241 2.468 13.288 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.048 3.234 11.724 1.00 0.00 H new ATOM 0 HG SER A 26 -9.149 4.950 12.391 1.00 0.00 H new ATOM 348 N GLN A 27 -9.350 2.381 9.596 1.00 0.00 N ATOM 349 CA GLN A 27 -9.569 2.775 8.209 1.00 0.00 C ATOM 350 C GLN A 27 -9.717 1.551 7.312 1.00 0.00 C ATOM 351 O GLN A 27 -8.837 0.692 7.242 1.00 0.00 O ATOM 352 CB GLN A 27 -8.413 3.647 7.716 1.00 0.00 C ATOM 353 CG GLN A 27 -8.297 4.975 8.447 1.00 0.00 C ATOM 354 CD GLN A 27 -7.820 4.814 9.877 1.00 0.00 C ATOM 355 OE1 GLN A 27 -8.438 5.324 10.811 1.00 0.00 O ATOM 356 NE2 GLN A 27 -6.713 4.102 10.055 1.00 0.00 N ATOM 0 H GLN A 27 -8.456 1.921 9.768 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.494 3.350 8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.479 3.096 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.542 3.838 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.606 5.623 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.267 5.472 8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.232 3.697 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.343 3.960 10.995 1.00 0.00 H new ATOM 365 N PRO A 28 -10.856 1.466 6.609 1.00 0.00 N ATOM 366 CA PRO A 28 -11.146 0.351 5.703 1.00 0.00 C ATOM 367 C PRO A 28 -10.265 0.370 4.459 1.00 0.00 C ATOM 368 O PRO A 28 -9.630 1.379 4.151 1.00 0.00 O ATOM 369 CB PRO A 28 -12.612 0.574 5.324 1.00 0.00 C ATOM 370 CG PRO A 28 -12.831 2.038 5.499 1.00 0.00 C ATOM 371 CD PRO A 28 -11.949 2.453 6.644 1.00 0.00 C ATOM 0 HA PRO A 28 -10.955 -0.615 6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.807 0.265 4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.279 -0.005 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.574 2.583 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.878 2.253 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.577 3.469 6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.484 2.426 7.593 1.00 0.00 H new ATOM 379 N LYS A 29 -10.231 -0.750 3.746 1.00 0.00 N ATOM 380 CA LYS A 29 -9.429 -0.862 2.533 1.00 0.00 C ATOM 381 C LYS A 29 -9.653 0.339 1.620 1.00 0.00 C ATOM 382 O LYS A 29 -8.727 1.080 1.291 1.00 0.00 O ATOM 383 CB LYS A 29 -9.773 -2.154 1.788 1.00 0.00 C ATOM 384 CG LYS A 29 -9.654 -2.035 0.278 1.00 0.00 C ATOM 385 CD LYS A 29 -10.069 -3.321 -0.417 1.00 0.00 C ATOM 386 CE LYS A 29 -9.434 -3.441 -1.793 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.290 -4.215 -2.734 1.00 0.00 N ATOM 0 H LYS A 29 -10.750 -1.594 3.987 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.378 -0.885 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.114 -2.950 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.791 -2.450 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.278 -1.213 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.626 -1.792 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.779 -4.176 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.154 -3.350 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.257 -2.445 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.462 -3.926 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.822 -4.274 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.439 -5.174 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.208 -3.738 -2.840 1.00 0.00 H new ATOM 401 N PRO A 30 -10.912 0.538 1.201 1.00 0.00 N ATOM 402 CA PRO A 30 -11.286 1.649 0.322 1.00 0.00 C ATOM 403 C PRO A 30 -11.203 2.999 1.026 1.00 0.00 C ATOM 404 O PRO A 30 -11.764 3.990 0.558 1.00 0.00 O ATOM 405 CB PRO A 30 -12.735 1.331 -0.055 1.00 0.00 C ATOM 406 CG PRO A 30 -13.243 0.494 1.068 1.00 0.00 C ATOM 407 CD PRO A 30 -12.066 -0.306 1.553 1.00 0.00 C ATOM 0 HA PRO A 30 -10.617 1.734 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.324 2.241 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.789 0.796 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.648 1.116 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.048 -0.160 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.118 -0.488 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.015 -1.280 1.067 1.00 0.00 H new ATOM 415 N ASP A 31 -10.499 3.031 2.152 1.00 0.00 N ATOM 416 CA ASP A 31 -10.341 4.261 2.921 1.00 0.00 C ATOM 417 C ASP A 31 -9.258 5.146 2.313 1.00 0.00 C ATOM 418 O ASP A 31 -9.480 6.330 2.056 1.00 0.00 O ATOM 419 CB ASP A 31 -9.997 3.937 4.375 1.00 0.00 C ATOM 420 CG ASP A 31 -10.080 5.155 5.274 1.00 0.00 C ATOM 421 OD1 ASP A 31 -11.196 5.478 5.733 1.00 0.00 O ATOM 422 OD2 ASP A 31 -9.030 5.786 5.519 1.00 0.00 O ATOM 0 H ASP A 31 -10.028 2.220 2.553 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.286 4.803 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.677 3.169 4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.991 3.521 4.423 1.00 0.00 H new ATOM 427 N LEU A 32 -8.085 4.565 2.086 1.00 0.00 N ATOM 428 CA LEU A 32 -6.966 5.301 1.509 1.00 0.00 C ATOM 429 C LEU A 32 -7.197 5.570 0.025 1.00 0.00 C ATOM 430 O LEU A 32 -6.862 6.640 -0.481 1.00 0.00 O ATOM 431 CB LEU A 32 -5.664 4.521 1.700 1.00 0.00 C ATOM 432 CG LEU A 32 -5.478 3.849 3.061 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.648 2.582 2.921 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.827 4.810 4.045 1.00 0.00 C ATOM 0 H LEU A 32 -7.884 3.587 2.293 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.889 6.258 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.607 3.754 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.829 5.202 1.536 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.460 3.575 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.526 2.117 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.154 1.888 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.669 2.832 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.702 4.315 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.852 5.115 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.460 5.689 4.168 1.00 0.00 H new ATOM 446 N GLU A 33 -7.775 4.592 -0.665 1.00 0.00 N ATOM 447 CA GLU A 33 -8.053 4.724 -2.090 1.00 0.00 C ATOM 448 C GLU A 33 -8.636 6.099 -2.405 1.00 0.00 C ATOM 449 O GLU A 33 -8.230 6.752 -3.366 1.00 0.00 O ATOM 450 CB GLU A 33 -9.020 3.631 -2.548 1.00 0.00 C ATOM 451 CG GLU A 33 -8.543 2.224 -2.228 1.00 0.00 C ATOM 452 CD GLU A 33 -9.156 1.179 -3.140 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.331 1.346 -3.530 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.460 0.194 -3.465 1.00 0.00 O ATOM 0 H GLU A 33 -8.060 3.700 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.112 4.615 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.989 3.793 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.171 3.719 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.457 2.184 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.790 1.987 -1.193 1.00 0.00 H new ATOM 461 N ASN A 34 -9.592 6.531 -1.589 1.00 0.00 N ATOM 462 CA ASN A 34 -10.233 7.827 -1.781 1.00 0.00 C ATOM 463 C ASN A 34 -9.264 8.964 -1.470 1.00 0.00 C ATOM 464 O ASN A 34 -9.106 9.892 -2.263 1.00 0.00 O ATOM 465 CB ASN A 34 -11.474 7.942 -0.893 1.00 0.00 C ATOM 466 CG ASN A 34 -12.650 7.157 -1.439 1.00 0.00 C ATOM 467 OD1 ASN A 34 -12.870 7.108 -2.649 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.414 6.537 -0.546 1.00 0.00 N ATOM 0 H ASN A 34 -9.940 6.003 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.534 7.905 -2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.235 7.584 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.754 8.991 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.220 5.993 -0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.194 6.605 0.448 1.00 0.00 H new ATOM 475 N ARG A 35 -8.618 8.883 -0.311 1.00 0.00 N ATOM 476 CA ARG A 35 -7.665 9.906 0.105 1.00 0.00 C ATOM 477 C ARG A 35 -6.575 10.093 -0.946 1.00 0.00 C ATOM 478 O ARG A 35 -6.447 11.165 -1.538 1.00 0.00 O ATOM 479 CB ARG A 35 -7.035 9.529 1.447 1.00 0.00 C ATOM 480 CG ARG A 35 -7.952 9.764 2.637 1.00 0.00 C ATOM 481 CD ARG A 35 -7.781 11.165 3.203 1.00 0.00 C ATOM 482 NE ARG A 35 -8.666 12.129 2.555 1.00 0.00 N ATOM 483 CZ ARG A 35 -9.030 13.281 3.108 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.586 13.611 4.313 1.00 0.00 N ATOM 485 NH2 ARG A 35 -9.838 14.106 2.454 1.00 0.00 N ATOM 0 H ARG A 35 -8.737 8.121 0.356 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.204 10.847 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.748 8.478 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.120 10.106 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.989 9.617 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.739 9.028 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.983 11.150 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.746 11.482 3.078 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.025 11.906 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.964 12.980 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.867 14.496 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.180 13.856 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.117 14.990 2.879 1.00 0.00 H new ATOM 499 N ILE A 36 -5.792 9.043 -1.172 1.00 0.00 N ATOM 500 CA ILE A 36 -4.714 9.092 -2.152 1.00 0.00 C ATOM 501 C ILE A 36 -5.102 9.947 -3.354 1.00 0.00 C ATOM 502 O ILE A 36 -4.444 10.941 -3.660 1.00 0.00 O ATOM 503 CB ILE A 36 -4.333 7.682 -2.640 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.818 6.836 -1.473 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.286 7.768 -3.741 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.681 5.367 -1.807 1.00 0.00 C ATOM 0 H ILE A 36 -5.884 8.149 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.854 9.540 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.223 7.202 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.849 7.220 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.497 6.946 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.027 6.764 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.686 8.338 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.394 8.264 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.312 4.828 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.653 4.967 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.979 5.245 -2.632 1.00 0.00 H new ATOM 518 N ALA A 37 -6.175 9.553 -4.031 1.00 0.00 N ATOM 519 CA ALA A 37 -6.653 10.285 -5.198 1.00 0.00 C ATOM 520 C ALA A 37 -6.756 11.778 -4.905 1.00 0.00 C ATOM 521 O ALA A 37 -6.372 12.608 -5.727 1.00 0.00 O ATOM 522 CB ALA A 37 -8.001 9.739 -5.647 1.00 0.00 C ATOM 0 H ALA A 37 -6.730 8.731 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.931 10.148 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.346 10.294 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.899 8.685 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.724 9.846 -4.839 1.00 0.00 H new ATOM 528 N GLU A 38 -7.278 12.111 -3.728 1.00 0.00 N ATOM 529 CA GLU A 38 -7.432 13.505 -3.329 1.00 0.00 C ATOM 530 C GLU A 38 -6.077 14.201 -3.248 1.00 0.00 C ATOM 531 O GLU A 38 -5.986 15.424 -3.363 1.00 0.00 O ATOM 532 CB GLU A 38 -8.146 13.596 -1.978 1.00 0.00 C ATOM 533 CG GLU A 38 -9.568 13.062 -2.004 1.00 0.00 C ATOM 534 CD GLU A 38 -10.486 13.889 -2.883 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.894 14.986 -2.449 1.00 0.00 O ATOM 536 OE2 GLU A 38 -10.795 13.438 -4.006 1.00 0.00 O ATOM 0 H GLU A 38 -7.601 11.435 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.035 14.008 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.572 13.042 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.164 14.637 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.559 12.032 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.964 13.043 -0.988 1.00 0.00 H new ATOM 543 N PHE A 39 -5.025 13.414 -3.050 1.00 0.00 N ATOM 544 CA PHE A 39 -3.674 13.953 -2.952 1.00 0.00 C ATOM 545 C PHE A 39 -2.967 13.898 -4.304 1.00 0.00 C ATOM 546 O PHE A 39 -1.739 13.893 -4.374 1.00 0.00 O ATOM 547 CB PHE A 39 -2.866 13.178 -1.910 1.00 0.00 C ATOM 548 CG PHE A 39 -3.092 13.651 -0.502 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.256 13.323 0.174 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.142 14.425 0.144 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.467 13.757 1.470 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.347 14.861 1.439 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.512 14.528 2.102 1.00 0.00 C ATOM 0 H PHE A 39 -5.082 12.400 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.748 14.995 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.123 12.121 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.806 13.263 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.007 12.722 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.230 14.691 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.378 13.493 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.597 15.462 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.676 14.870 3.113 1.00 0.00 H new ATOM 563 N GLY A 40 -3.753 13.857 -5.375 1.00 0.00 N ATOM 564 CA GLY A 40 -3.186 13.801 -6.710 1.00 0.00 C ATOM 565 C GLY A 40 -2.506 12.478 -6.996 1.00 0.00 C ATOM 566 O GLY A 40 -1.388 12.445 -7.510 1.00 0.00 O ATOM 0 H GLY A 40 -4.772 13.862 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.975 13.966 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.465 14.610 -6.829 1.00 0.00 H new ATOM 570 N GLY A 41 -3.180 11.382 -6.662 1.00 0.00 N ATOM 571 CA GLY A 41 -2.617 10.065 -6.892 1.00 0.00 C ATOM 572 C GLY A 41 -3.541 9.172 -7.696 1.00 0.00 C ATOM 573 O GLY A 41 -4.749 9.401 -7.746 1.00 0.00 O ATOM 0 H GLY A 41 -4.107 11.383 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.667 10.166 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.403 9.592 -5.933 1.00 0.00 H new ATOM 577 N TYR A 42 -2.972 8.152 -8.329 1.00 0.00 N ATOM 578 CA TYR A 42 -3.752 7.223 -9.139 1.00 0.00 C ATOM 579 C TYR A 42 -4.056 5.946 -8.362 1.00 0.00 C ATOM 580 O TYR A 42 -3.200 5.420 -7.650 1.00 0.00 O ATOM 581 CB TYR A 42 -3.001 6.883 -10.427 1.00 0.00 C ATOM 582 CG TYR A 42 -3.878 6.267 -11.494 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.808 7.035 -12.185 1.00 0.00 C ATOM 584 CD2 TYR A 42 -3.778 4.918 -11.811 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.612 6.477 -13.160 1.00 0.00 C ATOM 586 CE2 TYR A 42 -4.577 4.352 -12.785 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.492 5.135 -13.457 1.00 0.00 C ATOM 588 OH TYR A 42 -6.291 4.575 -14.427 1.00 0.00 O ATOM 0 H TYR A 42 -1.973 7.947 -8.297 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.696 7.706 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.545 7.791 -10.822 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.189 6.194 -10.193 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.904 8.086 -11.956 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.063 4.301 -11.287 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.330 7.088 -13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.486 3.302 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.080 3.622 -14.514 1.00 0.00 H new ATOM 598 N ILE A 43 -5.282 5.453 -8.504 1.00 0.00 N ATOM 599 CA ILE A 43 -5.700 4.237 -7.818 1.00 0.00 C ATOM 600 C ILE A 43 -6.105 3.155 -8.814 1.00 0.00 C ATOM 601 O ILE A 43 -6.991 3.360 -9.644 1.00 0.00 O ATOM 602 CB ILE A 43 -6.878 4.506 -6.863 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.505 5.592 -5.851 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.284 3.226 -6.148 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.349 5.210 -4.954 1.00 0.00 C ATOM 0 H ILE A 43 -6.003 5.877 -9.088 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.844 3.892 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.728 4.857 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.251 6.506 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.375 5.816 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.118 3.433 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.586 2.479 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.440 2.848 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.140 6.026 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.607 4.314 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.466 5.014 -5.562 1.00 0.00 H new ATOM 617 N VAL A 44 -5.451 2.001 -8.724 1.00 0.00 N ATOM 618 CA VAL A 44 -5.744 0.885 -9.615 1.00 0.00 C ATOM 619 C VAL A 44 -6.264 -0.318 -8.836 1.00 0.00 C ATOM 620 O VAL A 44 -6.388 -0.270 -7.613 1.00 0.00 O ATOM 621 CB VAL A 44 -4.498 0.465 -10.417 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.123 1.540 -11.425 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.336 0.172 -9.480 1.00 0.00 C ATOM 0 H VAL A 44 -4.715 1.815 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.514 1.226 -10.307 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.732 -0.447 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.240 1.225 -11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.951 1.696 -12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.908 2.471 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.464 -0.123 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.100 1.066 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.610 -0.637 -8.802 1.00 0.00 H new ATOM 633 N GLN A 45 -6.564 -1.395 -9.554 1.00 0.00 N ATOM 634 CA GLN A 45 -7.071 -2.611 -8.929 1.00 0.00 C ATOM 635 C GLN A 45 -5.953 -3.632 -8.737 1.00 0.00 C ATOM 636 O GLN A 45 -5.793 -4.195 -7.656 1.00 0.00 O ATOM 637 CB GLN A 45 -8.191 -3.217 -9.777 1.00 0.00 C ATOM 638 CG GLN A 45 -9.439 -2.352 -9.845 1.00 0.00 C ATOM 639 CD GLN A 45 -9.943 -1.945 -8.474 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.270 -2.794 -7.643 1.00 0.00 O ATOM 641 NE2 GLN A 45 -10.008 -0.642 -8.229 1.00 0.00 N ATOM 0 H GLN A 45 -6.465 -1.451 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.469 -2.347 -7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.820 -3.385 -10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.457 -4.192 -9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.225 -1.457 -10.429 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.225 -2.895 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.727 0.026 -8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.339 -0.309 -7.323 1.00 0.00 H new ATOM 650 N ASN A 46 -5.184 -3.864 -9.796 1.00 0.00 N ATOM 651 CA ASN A 46 -4.081 -4.817 -9.744 1.00 0.00 C ATOM 652 C ASN A 46 -2.763 -4.145 -10.116 1.00 0.00 C ATOM 653 O ASN A 46 -2.687 -3.344 -11.047 1.00 0.00 O ATOM 654 CB ASN A 46 -4.351 -5.992 -10.687 1.00 0.00 C ATOM 655 CG ASN A 46 -3.986 -5.675 -12.124 1.00 0.00 C ATOM 656 OD1 ASN A 46 -3.034 -6.231 -12.672 1.00 0.00 O ATOM 657 ND2 ASN A 46 -4.744 -4.777 -12.743 1.00 0.00 N ATOM 0 H ASN A 46 -5.304 -3.406 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.003 -5.189 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.782 -6.860 -10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.406 -6.262 -10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.547 -4.524 -13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.523 -4.341 -12.250 1.00 0.00 H new ATOM 664 N PRO A 47 -1.698 -4.478 -9.371 1.00 0.00 N ATOM 665 CA PRO A 47 -0.363 -3.919 -9.603 1.00 0.00 C ATOM 666 C PRO A 47 0.261 -4.428 -10.898 1.00 0.00 C ATOM 667 O PRO A 47 0.228 -5.624 -11.187 1.00 0.00 O ATOM 668 CB PRO A 47 0.441 -4.406 -8.395 1.00 0.00 C ATOM 669 CG PRO A 47 -0.258 -5.644 -7.950 1.00 0.00 C ATOM 670 CD PRO A 47 -1.716 -5.426 -8.244 1.00 0.00 C ATOM 0 HA PRO A 47 -0.388 -2.834 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.477 -4.611 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.461 -3.656 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.120 -6.518 -8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.097 -5.822 -6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.216 -6.357 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.243 -5.016 -7.382 1.00 0.00 H new ATOM 678 N GLY A 48 0.830 -3.512 -11.676 1.00 0.00 N ATOM 679 CA GLY A 48 1.454 -3.888 -12.931 1.00 0.00 C ATOM 680 C GLY A 48 2.724 -3.108 -13.204 1.00 0.00 C ATOM 681 O GLY A 48 3.363 -2.581 -12.292 1.00 0.00 O ATOM 0 H GLY A 48 0.870 -2.516 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.682 -4.954 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.749 -3.726 -13.747 1.00 0.00 H new ATOM 685 N PRO A 49 3.111 -3.028 -14.486 1.00 0.00 N ATOM 686 CA PRO A 49 4.318 -2.309 -14.905 1.00 0.00 C ATOM 687 C PRO A 49 4.176 -0.799 -14.751 1.00 0.00 C ATOM 688 O PRO A 49 5.160 -0.063 -14.831 1.00 0.00 O ATOM 689 CB PRO A 49 4.459 -2.685 -16.382 1.00 0.00 C ATOM 690 CG PRO A 49 3.076 -3.023 -16.821 1.00 0.00 C ATOM 691 CD PRO A 49 2.399 -3.632 -15.624 1.00 0.00 C ATOM 0 HA PRO A 49 5.183 -2.576 -14.298 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.868 -1.859 -16.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.134 -3.531 -16.512 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.545 -2.133 -17.159 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.092 -3.721 -17.658 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.335 -3.398 -15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.487 -4.718 -15.622 1.00 0.00 H new ATOM 699 N ASP A 50 2.948 -0.344 -14.530 1.00 0.00 N ATOM 700 CA ASP A 50 2.679 1.079 -14.363 1.00 0.00 C ATOM 701 C ASP A 50 2.102 1.365 -12.979 1.00 0.00 C ATOM 702 O ASP A 50 1.090 2.053 -12.846 1.00 0.00 O ATOM 703 CB ASP A 50 1.711 1.567 -15.442 1.00 0.00 C ATOM 704 CG ASP A 50 2.425 1.993 -16.710 1.00 0.00 C ATOM 705 OD1 ASP A 50 3.149 3.010 -16.670 1.00 0.00 O ATOM 706 OD2 ASP A 50 2.260 1.310 -17.742 1.00 0.00 O ATOM 0 H ASP A 50 2.123 -0.940 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 50 3.623 1.615 -14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.003 0.773 -15.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.133 2.406 -15.055 1.00 0.00 H new ATOM 711 N THR A 51 2.753 0.830 -11.951 1.00 0.00 N ATOM 712 CA THR A 51 2.305 1.024 -10.578 1.00 0.00 C ATOM 713 C THR A 51 3.477 1.344 -9.657 1.00 0.00 C ATOM 714 O THR A 51 4.617 0.971 -9.934 1.00 0.00 O ATOM 715 CB THR A 51 1.572 -0.221 -10.044 1.00 0.00 C ATOM 716 OG1 THR A 51 0.638 -0.696 -11.020 1.00 0.00 O ATOM 717 CG2 THR A 51 0.842 0.095 -8.747 1.00 0.00 C ATOM 0 H THR A 51 3.593 0.259 -12.044 1.00 0.00 H new ATOM 0 HA THR A 51 1.614 1.867 -10.588 1.00 0.00 H new ATOM 0 HB THR A 51 2.314 -0.995 -9.845 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.236 -0.830 -10.598 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.332 -0.799 -8.389 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.560 0.428 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.110 0.883 -8.924 1.00 0.00 H new ATOM 725 N TYR A 52 3.189 2.037 -8.560 1.00 0.00 N ATOM 726 CA TYR A 52 4.220 2.408 -7.599 1.00 0.00 C ATOM 727 C TYR A 52 4.460 1.284 -6.595 1.00 0.00 C ATOM 728 O TYR A 52 5.541 0.696 -6.551 1.00 0.00 O ATOM 729 CB TYR A 52 3.823 3.689 -6.862 1.00 0.00 C ATOM 730 CG TYR A 52 4.999 4.453 -6.298 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.012 4.919 -7.127 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.098 4.710 -4.936 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.089 5.617 -6.616 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.170 5.408 -4.417 1.00 0.00 C ATOM 735 CZ TYR A 52 7.164 5.859 -5.261 1.00 0.00 C ATOM 736 OH TYR A 52 8.234 6.555 -4.748 1.00 0.00 O ATOM 0 H TYR A 52 2.250 2.353 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 52 5.145 2.584 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.274 4.336 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.143 3.434 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.956 4.732 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.323 4.358 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.868 5.971 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.230 5.600 -3.356 1.00 0.00 H new ATOM 0 HH TYR A 52 8.133 6.640 -3.777 1.00 0.00 H new ATOM 746 N CYS A 53 3.443 0.992 -5.791 1.00 0.00 N ATOM 747 CA CYS A 53 3.541 -0.061 -4.787 1.00 0.00 C ATOM 748 C CYS A 53 2.156 -0.523 -4.346 1.00 0.00 C ATOM 749 O CYS A 53 1.142 0.043 -4.755 1.00 0.00 O ATOM 750 CB CYS A 53 4.337 0.431 -3.577 1.00 0.00 C ATOM 751 SG CYS A 53 3.566 1.810 -2.698 1.00 0.00 S ATOM 0 H CYS A 53 2.542 1.469 -5.815 1.00 0.00 H new ATOM 0 HA CYS A 53 4.061 -0.908 -5.235 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.472 -0.398 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.330 0.735 -3.908 1.00 0.00 H new ATOM 0 HG CYS A 53 4.312 2.154 -1.690 1.00 0.00 H new ATOM 757 N VAL A 54 2.120 -1.556 -3.510 1.00 0.00 N ATOM 758 CA VAL A 54 0.860 -2.094 -3.013 1.00 0.00 C ATOM 759 C VAL A 54 0.702 -1.836 -1.519 1.00 0.00 C ATOM 760 O VAL A 54 1.673 -1.889 -0.764 1.00 0.00 O ATOM 761 CB VAL A 54 0.754 -3.608 -3.275 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.609 -4.131 -2.848 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.016 -3.914 -4.742 1.00 0.00 C ATOM 0 H VAL A 54 2.950 -2.037 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 54 0.063 -1.582 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 54 1.513 -4.116 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.664 -5.202 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.752 -3.946 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.388 -3.620 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.937 -4.988 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.282 -3.396 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.017 -3.578 -5.011 1.00 0.00 H new ATOM 773 N ILE A 55 -0.527 -1.556 -1.099 1.00 0.00 N ATOM 774 CA ILE A 55 -0.812 -1.291 0.306 1.00 0.00 C ATOM 775 C ILE A 55 -1.653 -2.407 0.916 1.00 0.00 C ATOM 776 O ILE A 55 -2.833 -2.554 0.599 1.00 0.00 O ATOM 777 CB ILE A 55 -1.548 0.049 0.487 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.826 1.161 -0.276 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.657 0.398 1.964 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.631 1.307 0.104 1.00 0.00 C ATOM 0 H ILE A 55 -1.341 -1.507 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 55 0.148 -1.241 0.819 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.555 -0.049 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.896 0.961 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.337 2.106 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.180 1.348 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.211 -0.384 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.658 0.481 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.079 2.114 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.709 1.538 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.156 0.375 -0.104 1.00 0.00 H new ATOM 792 N ALA A 56 -1.037 -3.191 1.796 1.00 0.00 N ATOM 793 CA ALA A 56 -1.730 -4.291 2.454 1.00 0.00 C ATOM 794 C ALA A 56 -1.551 -4.226 3.967 1.00 0.00 C ATOM 795 O ALA A 56 -0.432 -4.302 4.473 1.00 0.00 O ATOM 796 CB ALA A 56 -1.230 -5.625 1.919 1.00 0.00 C ATOM 0 H ALA A 56 -0.060 -3.084 2.069 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.794 -4.200 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.756 -6.438 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.415 -5.679 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.160 -5.715 2.108 1.00 0.00 H new ATOM 802 N GLY A 57 -2.661 -4.083 4.684 1.00 0.00 N ATOM 803 CA GLY A 57 -2.605 -4.009 6.132 1.00 0.00 C ATOM 804 C GLY A 57 -2.286 -5.346 6.770 1.00 0.00 C ATOM 805 O GLY A 57 -1.582 -5.410 7.777 1.00 0.00 O ATOM 0 H GLY A 57 -3.599 -4.017 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.850 -3.280 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.561 -3.648 6.511 1.00 0.00 H new ATOM 809 N SER A 58 -2.807 -6.419 6.182 1.00 0.00 N ATOM 810 CA SER A 58 -2.579 -7.762 6.702 1.00 0.00 C ATOM 811 C SER A 58 -2.318 -8.747 5.567 1.00 0.00 C ATOM 812 O SER A 58 -2.570 -8.447 4.401 1.00 0.00 O ATOM 813 CB SER A 58 -3.782 -8.224 7.527 1.00 0.00 C ATOM 814 OG SER A 58 -4.985 -8.096 6.789 1.00 0.00 O ATOM 0 H SER A 58 -3.390 -6.384 5.345 1.00 0.00 H new ATOM 0 HA SER A 58 -1.698 -7.732 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.644 -9.263 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.848 -7.634 8.441 1.00 0.00 H new ATOM 0 HG SER A 58 -5.739 -8.399 7.337 1.00 0.00 H new ATOM 820 N GLU A 59 -1.811 -9.925 5.918 1.00 0.00 N ATOM 821 CA GLU A 59 -1.515 -10.954 4.929 1.00 0.00 C ATOM 822 C GLU A 59 -2.794 -11.647 4.465 1.00 0.00 C ATOM 823 O GLU A 59 -3.638 -12.022 5.277 1.00 0.00 O ATOM 824 CB GLU A 59 -0.545 -11.986 5.508 1.00 0.00 C ATOM 825 CG GLU A 59 0.876 -11.468 5.659 1.00 0.00 C ATOM 826 CD GLU A 59 1.863 -12.564 6.009 1.00 0.00 C ATOM 827 OE1 GLU A 59 1.841 -13.619 5.341 1.00 0.00 O ATOM 828 OE2 GLU A 59 2.657 -12.367 6.953 1.00 0.00 O ATOM 0 H GLU A 59 -1.597 -10.190 6.879 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.050 -10.472 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.911 -12.309 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.536 -12.865 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.185 -10.990 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.899 -10.702 6.435 1.00 0.00 H new ATOM 835 N ASN A 60 -2.928 -11.812 3.153 1.00 0.00 N ATOM 836 CA ASN A 60 -4.103 -12.458 2.580 1.00 0.00 C ATOM 837 C ASN A 60 -3.808 -12.978 1.177 1.00 0.00 C ATOM 838 O ASN A 60 -2.812 -12.598 0.560 1.00 0.00 O ATOM 839 CB ASN A 60 -5.278 -11.479 2.536 1.00 0.00 C ATOM 840 CG ASN A 60 -6.609 -12.181 2.346 1.00 0.00 C ATOM 841 OD1 ASN A 60 -6.782 -13.328 2.757 1.00 0.00 O ATOM 842 ND2 ASN A 60 -7.556 -11.493 1.718 1.00 0.00 N ATOM 0 H ASN A 60 -2.237 -11.507 2.467 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.367 -13.304 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.303 -10.904 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.126 -10.769 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.472 -11.914 1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.368 -10.544 1.395 1.00 0.00 H new ATOM 849 N ILE A 61 -4.679 -13.849 0.680 1.00 0.00 N ATOM 850 CA ILE A 61 -4.513 -14.421 -0.651 1.00 0.00 C ATOM 851 C ILE A 61 -4.011 -13.374 -1.640 1.00 0.00 C ATOM 852 O ILE A 61 -2.896 -13.472 -2.151 1.00 0.00 O ATOM 853 CB ILE A 61 -5.832 -15.017 -1.177 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.289 -16.169 -0.279 1.00 0.00 C ATOM 855 CG2 ILE A 61 -5.663 -15.492 -2.612 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.169 -17.101 0.126 1.00 0.00 C ATOM 0 H ILE A 61 -5.507 -14.174 1.179 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.774 -15.218 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.597 -14.241 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.751 -15.758 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.057 -16.742 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.604 -15.911 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.377 -14.650 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.887 -16.256 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.566 -17.893 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.722 -17.541 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.411 -16.542 0.674 1.00 0.00 H new ATOM 868 N ARG A 62 -4.843 -12.371 -1.904 1.00 0.00 N ATOM 869 CA ARG A 62 -4.484 -11.305 -2.831 1.00 0.00 C ATOM 870 C ARG A 62 -3.037 -10.867 -2.623 1.00 0.00 C ATOM 871 O ARG A 62 -2.198 -11.015 -3.512 1.00 0.00 O ATOM 872 CB ARG A 62 -5.421 -10.109 -2.654 1.00 0.00 C ATOM 873 CG ARG A 62 -6.830 -10.358 -3.166 1.00 0.00 C ATOM 874 CD ARG A 62 -6.942 -10.063 -4.653 1.00 0.00 C ATOM 875 NE ARG A 62 -8.292 -9.652 -5.030 1.00 0.00 N ATOM 876 CZ ARG A 62 -8.568 -8.945 -6.120 1.00 0.00 C ATOM 877 NH1 ARG A 62 -7.593 -8.574 -6.938 1.00 0.00 N ATOM 878 NH2 ARG A 62 -9.822 -8.610 -6.395 1.00 0.00 N ATOM 0 H ARG A 62 -5.770 -12.275 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.586 -11.691 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.469 -9.849 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.001 -9.249 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.109 -11.395 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.534 -9.733 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.236 -9.277 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.662 -10.950 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.065 -9.923 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.628 -8.831 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.808 -8.031 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.575 -8.895 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.033 -8.067 -7.232 1.00 0.00 H new ATOM 892 N VAL A 63 -2.752 -10.328 -1.442 1.00 0.00 N ATOM 893 CA VAL A 63 -1.407 -9.869 -1.116 1.00 0.00 C ATOM 894 C VAL A 63 -0.356 -10.866 -1.590 1.00 0.00 C ATOM 895 O VAL A 63 0.732 -10.481 -2.021 1.00 0.00 O ATOM 896 CB VAL A 63 -1.241 -9.647 0.399 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.129 -9.064 0.707 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.345 -8.744 0.929 1.00 0.00 C ATOM 0 H VAL A 63 -3.434 -10.198 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.263 -8.920 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.319 -10.612 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.227 -8.914 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.902 -9.751 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.241 -8.108 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.212 -8.598 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.301 -7.780 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.314 -9.207 0.743 1.00 0.00 H new ATOM 908 N LYS A 64 -0.688 -12.150 -1.510 1.00 0.00 N ATOM 909 CA LYS A 64 0.226 -13.205 -1.932 1.00 0.00 C ATOM 910 C LYS A 64 0.580 -13.059 -3.409 1.00 0.00 C ATOM 911 O LYS A 64 1.745 -12.888 -3.763 1.00 0.00 O ATOM 912 CB LYS A 64 -0.397 -14.579 -1.680 1.00 0.00 C ATOM 913 CG LYS A 64 0.625 -15.672 -1.416 1.00 0.00 C ATOM 914 CD LYS A 64 -0.003 -17.053 -1.495 1.00 0.00 C ATOM 915 CE LYS A 64 -0.446 -17.543 -0.125 1.00 0.00 C ATOM 916 NZ LYS A 64 -1.855 -17.161 0.172 1.00 0.00 N ATOM 0 H LYS A 64 -1.584 -12.485 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 64 1.141 -13.115 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.072 -14.511 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.001 -14.859 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.435 -15.597 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.067 -15.528 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.860 -17.026 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.714 -17.756 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.346 -18.627 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.211 -17.128 0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.174 -17.652 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.912 -16.133 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.464 -17.431 -0.627 1.00 0.00 H new ATOM 930 N ASN A 65 -0.435 -13.127 -4.265 1.00 0.00 N ATOM 931 CA ASN A 65 -0.230 -13.001 -5.704 1.00 0.00 C ATOM 932 C ASN A 65 0.817 -11.936 -6.013 1.00 0.00 C ATOM 933 O ASN A 65 1.632 -12.098 -6.922 1.00 0.00 O ATOM 934 CB ASN A 65 -1.548 -12.654 -6.399 1.00 0.00 C ATOM 935 CG ASN A 65 -2.351 -13.887 -6.765 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.262 -14.388 -7.886 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.141 -14.381 -5.819 1.00 0.00 N ATOM 0 H ASN A 65 -1.406 -13.268 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 65 0.130 -13.959 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.144 -12.017 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.339 -12.079 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.706 -15.209 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.183 -13.932 -4.904 1.00 0.00 H new ATOM 944 N ILE A 66 0.790 -10.848 -5.251 1.00 0.00 N ATOM 945 CA ILE A 66 1.738 -9.757 -5.443 1.00 0.00 C ATOM 946 C ILE A 66 3.127 -10.142 -4.946 1.00 0.00 C ATOM 947 O ILE A 66 4.137 -9.761 -5.539 1.00 0.00 O ATOM 948 CB ILE A 66 1.280 -8.479 -4.715 1.00 0.00 C ATOM 949 CG1 ILE A 66 -0.040 -7.977 -5.301 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.352 -7.403 -4.810 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.261 -8.609 -4.671 1.00 0.00 C ATOM 0 H ILE A 66 0.122 -10.698 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 66 1.780 -9.560 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 66 1.121 -8.715 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.095 -6.896 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.051 -8.175 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.014 -6.506 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.272 -7.764 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.539 -7.167 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.160 -8.205 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.229 -9.688 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.275 -8.389 -3.603 1.00 0.00 H new ATOM 963 N ILE A 67 3.170 -10.901 -3.856 1.00 0.00 N ATOM 964 CA ILE A 67 4.436 -11.340 -3.282 1.00 0.00 C ATOM 965 C ILE A 67 5.103 -12.392 -4.161 1.00 0.00 C ATOM 966 O ILE A 67 6.300 -12.316 -4.440 1.00 0.00 O ATOM 967 CB ILE A 67 4.241 -11.919 -1.868 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.789 -10.821 -0.902 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.528 -12.565 -1.378 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.448 -11.335 0.479 1.00 0.00 C ATOM 0 H ILE A 67 2.344 -11.224 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 67 5.077 -10.461 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 67 3.466 -12.684 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.579 -10.074 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.917 -10.318 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.374 -12.969 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.812 -13.371 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.322 -11.819 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.136 -10.503 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.637 -12.060 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.325 -11.813 0.916 1.00 0.00 H new ATOM 982 N LEU A 68 4.321 -13.373 -4.598 1.00 0.00 N ATOM 983 CA LEU A 68 4.835 -14.440 -5.449 1.00 0.00 C ATOM 984 C LEU A 68 5.607 -13.868 -6.634 1.00 0.00 C ATOM 985 O LEU A 68 6.776 -14.192 -6.840 1.00 0.00 O ATOM 986 CB LEU A 68 3.687 -15.318 -5.950 1.00 0.00 C ATOM 987 CG LEU A 68 2.696 -15.798 -4.888 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.537 -16.539 -5.536 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.396 -16.685 -3.869 1.00 0.00 C ATOM 0 H LEU A 68 3.328 -13.451 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 68 5.517 -15.048 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.135 -14.762 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.113 -16.192 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 68 2.298 -14.926 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.842 -16.873 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.020 -15.873 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.917 -17.403 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.676 -17.018 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.822 -17.552 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.192 -16.121 -3.382 1.00 0.00 H new ATOM 1001 N SER A 69 4.945 -13.015 -7.408 1.00 0.00 N ATOM 1002 CA SER A 69 5.568 -12.398 -8.573 1.00 0.00 C ATOM 1003 C SER A 69 6.975 -11.909 -8.242 1.00 0.00 C ATOM 1004 O SER A 69 7.892 -12.027 -9.054 1.00 0.00 O ATOM 1005 CB SER A 69 4.716 -11.232 -9.077 1.00 0.00 C ATOM 1006 OG SER A 69 3.697 -11.685 -9.952 1.00 0.00 O ATOM 0 H SER A 69 3.977 -12.735 -7.250 1.00 0.00 H new ATOM 0 HA SER A 69 5.639 -13.152 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.268 -10.712 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.350 -10.511 -9.594 1.00 0.00 H new ATOM 0 HG SER A 69 3.166 -10.921 -10.259 1.00 0.00 H new ATOM 1012 N ASN A 70 7.137 -11.360 -7.042 1.00 0.00 N ATOM 1013 CA ASN A 70 8.431 -10.852 -6.602 1.00 0.00 C ATOM 1014 C ASN A 70 8.919 -9.738 -7.523 1.00 0.00 C ATOM 1015 O ASN A 70 10.043 -9.779 -8.024 1.00 0.00 O ATOM 1016 CB ASN A 70 9.460 -11.984 -6.563 1.00 0.00 C ATOM 1017 CG ASN A 70 10.800 -11.528 -6.020 1.00 0.00 C ATOM 1018 OD1 ASN A 70 11.809 -11.553 -6.725 1.00 0.00 O ATOM 1019 ND2 ASN A 70 10.816 -11.108 -4.760 1.00 0.00 N ATOM 0 H ASN A 70 6.388 -11.256 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 70 8.311 -10.444 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.078 -12.797 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.595 -12.383 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.689 -10.789 -4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.955 -11.105 -4.213 1.00 0.00 H new ATOM 1026 N LYS A 71 8.067 -8.742 -7.740 1.00 0.00 N ATOM 1027 CA LYS A 71 8.411 -7.614 -8.598 1.00 0.00 C ATOM 1028 C LYS A 71 8.161 -6.290 -7.883 1.00 0.00 C ATOM 1029 O LYS A 71 8.913 -5.329 -8.054 1.00 0.00 O ATOM 1030 CB LYS A 71 7.599 -7.667 -9.894 1.00 0.00 C ATOM 1031 CG LYS A 71 7.770 -8.963 -10.667 1.00 0.00 C ATOM 1032 CD LYS A 71 8.892 -8.859 -11.688 1.00 0.00 C ATOM 1033 CE LYS A 71 10.218 -9.324 -11.107 1.00 0.00 C ATOM 1034 NZ LYS A 71 11.378 -8.744 -11.840 1.00 0.00 N ATOM 0 H LYS A 71 7.133 -8.693 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 71 9.472 -7.682 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.544 -7.532 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.892 -6.833 -10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.982 -9.776 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.837 -9.211 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.646 -9.460 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.983 -7.827 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.274 -9.040 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.270 -10.412 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.263 -9.085 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.339 -9.035 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.342 -7.706 -11.781 1.00 0.00 H new ATOM 1048 N HIS A 72 7.103 -6.247 -7.080 1.00 0.00 N ATOM 1049 CA HIS A 72 6.756 -5.041 -6.337 1.00 0.00 C ATOM 1050 C HIS A 72 6.980 -5.241 -4.841 1.00 0.00 C ATOM 1051 O HIS A 72 7.306 -6.341 -4.394 1.00 0.00 O ATOM 1052 CB HIS A 72 5.299 -4.656 -6.599 1.00 0.00 C ATOM 1053 CG HIS A 72 5.095 -3.930 -7.893 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.708 -4.304 -9.070 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.339 -2.848 -8.192 1.00 0.00 C ATOM 1056 CE1 HIS A 72 5.339 -3.482 -10.037 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.508 -2.590 -9.530 1.00 0.00 N ATOM 0 H HIS A 72 6.471 -7.033 -6.927 1.00 0.00 H new ATOM 0 HA HIS A 72 7.404 -4.234 -6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.687 -5.558 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.944 -4.030 -5.781 1.00 0.00 H new ATOM 0 HD1 HIS A 72 6.347 -5.092 -9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.718 -2.291 -7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.662 -3.532 -11.066 1.00 0.00 H new ATOM 1065 N ASP A 73 6.804 -4.171 -4.073 1.00 0.00 N ATOM 1066 CA ASP A 73 6.987 -4.230 -2.628 1.00 0.00 C ATOM 1067 C ASP A 73 5.678 -3.935 -1.902 1.00 0.00 C ATOM 1068 O ASP A 73 4.832 -3.193 -2.402 1.00 0.00 O ATOM 1069 CB ASP A 73 8.064 -3.236 -2.188 1.00 0.00 C ATOM 1070 CG ASP A 73 9.345 -3.380 -2.985 1.00 0.00 C ATOM 1071 OD1 ASP A 73 9.328 -3.076 -4.196 1.00 0.00 O ATOM 1072 OD2 ASP A 73 10.366 -3.799 -2.398 1.00 0.00 O ATOM 0 H ASP A 73 6.535 -3.253 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 73 7.307 -5.239 -2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.684 -2.220 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.280 -3.383 -1.130 1.00 0.00 H new ATOM 1077 N VAL A 74 5.518 -4.521 -0.720 1.00 0.00 N ATOM 1078 CA VAL A 74 4.312 -4.321 0.075 1.00 0.00 C ATOM 1079 C VAL A 74 4.531 -3.261 1.149 1.00 0.00 C ATOM 1080 O VAL A 74 5.561 -3.248 1.823 1.00 0.00 O ATOM 1081 CB VAL A 74 3.860 -5.631 0.748 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.563 -5.418 1.513 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.704 -6.735 -0.287 1.00 0.00 C ATOM 0 H VAL A 74 6.208 -5.138 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 74 3.534 -3.985 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 74 4.627 -5.938 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.259 -6.354 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.714 -4.660 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.785 -5.087 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.384 -7.653 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.957 -6.440 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.659 -6.904 -0.785 1.00 0.00 H new ATOM 1093 N VAL A 75 3.555 -2.372 1.303 1.00 0.00 N ATOM 1094 CA VAL A 75 3.639 -1.308 2.296 1.00 0.00 C ATOM 1095 C VAL A 75 2.387 -1.267 3.165 1.00 0.00 C ATOM 1096 O VAL A 75 1.284 -1.551 2.698 1.00 0.00 O ATOM 1097 CB VAL A 75 3.833 0.067 1.629 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.167 1.124 2.672 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.919 -0.005 0.566 1.00 0.00 C ATOM 0 H VAL A 75 2.696 -2.368 0.752 1.00 0.00 H new ATOM 0 HA VAL A 75 4.505 -1.526 2.922 1.00 0.00 H new ATOM 0 HB VAL A 75 2.899 0.351 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.301 2.089 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.353 1.193 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.087 0.848 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.043 0.975 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.859 -0.311 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.635 -0.731 -0.196 1.00 0.00 H new ATOM 1109 N LYS A 76 2.566 -0.910 4.432 1.00 0.00 N ATOM 1110 CA LYS A 76 1.451 -0.830 5.369 1.00 0.00 C ATOM 1111 C LYS A 76 0.560 0.367 5.052 1.00 0.00 C ATOM 1112 O LYS A 76 1.024 1.416 4.604 1.00 0.00 O ATOM 1113 CB LYS A 76 1.971 -0.726 6.805 1.00 0.00 C ATOM 1114 CG LYS A 76 2.282 -2.071 7.438 1.00 0.00 C ATOM 1115 CD LYS A 76 2.529 -1.940 8.931 1.00 0.00 C ATOM 1116 CE LYS A 76 2.530 -3.298 9.617 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.952 -3.200 11.042 1.00 0.00 N ATOM 0 H LYS A 76 3.473 -0.671 4.834 1.00 0.00 H new ATOM 0 HA LYS A 76 0.858 -1.739 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.872 -0.113 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.229 -0.210 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.453 -2.757 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.160 -2.505 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.485 -1.445 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.760 -1.308 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.532 -3.733 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.201 -3.973 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.939 -4.146 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.914 -2.809 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.297 -2.576 11.556 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.751 0.209 5.290 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.734 1.267 5.039 1.00 0.00 C ATOM 1133 C PRO A 77 -1.597 2.430 6.016 1.00 0.00 C ATOM 1134 O PRO A 77 -2.246 3.464 5.860 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.076 0.559 5.237 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.774 -0.576 6.154 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.374 -1.014 5.824 1.00 0.00 C ATOM 0 HA PRO A 77 -1.612 1.710 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.818 1.231 5.669 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.481 0.205 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.851 -0.266 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.482 -1.392 6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.849 -1.380 6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.368 -1.821 5.091 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.747 2.254 7.022 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.522 3.290 8.023 1.00 0.00 C ATOM 1147 C ALA A 78 0.407 4.375 7.491 1.00 0.00 C ATOM 1148 O ALA A 78 0.176 5.565 7.707 1.00 0.00 O ATOM 1149 CB ALA A 78 0.048 2.681 9.295 1.00 0.00 C ATOM 0 H ALA A 78 -0.203 1.404 7.166 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.482 3.752 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.211 3.466 10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.654 1.948 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.996 2.192 9.071 1.00 0.00 H new ATOM 1155 N TRP A 79 1.458 3.958 6.795 1.00 0.00 N ATOM 1156 CA TRP A 79 2.424 4.896 6.232 1.00 0.00 C ATOM 1157 C TRP A 79 1.719 5.995 5.445 1.00 0.00 C ATOM 1158 O TRP A 79 2.120 7.159 5.491 1.00 0.00 O ATOM 1159 CB TRP A 79 3.414 4.159 5.329 1.00 0.00 C ATOM 1160 CG TRP A 79 4.159 5.068 4.399 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.098 5.999 4.741 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.026 5.134 2.975 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.557 6.640 3.615 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.915 6.127 2.519 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.244 4.450 2.041 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 5.041 6.451 1.170 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.369 4.773 0.703 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.263 5.765 0.278 1.00 0.00 C ATOM 0 H TRP A 79 1.664 2.977 6.607 1.00 0.00 H new ATOM 0 HA TRP A 79 2.969 5.357 7.056 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.130 3.620 5.950 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.876 3.414 4.743 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.431 6.202 5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.261 7.378 3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.554 3.682 2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.728 7.216 0.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.768 4.252 -0.027 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.339 5.993 -0.775 1.00 0.00 H new ATOM 1179 N LEU A 80 0.668 5.621 4.725 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.093 6.576 3.927 1.00 0.00 C ATOM 1181 C LEU A 80 -0.628 7.708 4.798 1.00 0.00 C ATOM 1182 O LEU A 80 -0.565 8.879 4.421 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.251 5.871 3.219 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.875 5.005 2.017 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.968 3.986 1.730 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.618 5.872 0.794 1.00 0.00 C ATOM 0 H LEU A 80 0.323 4.662 4.677 1.00 0.00 H new ATOM 0 HA LEU A 80 0.576 7.002 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.767 5.244 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.963 6.627 2.888 1.00 0.00 H new ATOM 0 HG LEU A 80 0.042 4.466 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.683 3.379 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.104 3.343 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.902 4.505 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.352 5.238 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.518 6.438 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.200 6.562 1.002 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.151 7.352 5.966 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.695 8.339 6.893 1.00 0.00 C ATOM 1200 C LEU A 81 -0.686 9.452 7.158 1.00 0.00 C ATOM 1201 O LEU A 81 -0.993 10.632 6.996 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.089 7.668 8.210 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.316 6.757 8.159 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.472 5.997 9.467 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.569 7.568 7.858 1.00 0.00 C ATOM 0 H LEU A 81 -1.210 6.388 6.294 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.582 8.779 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.241 7.082 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.270 8.446 8.951 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.174 6.032 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.350 5.354 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.586 5.387 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.592 6.705 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.433 6.904 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.715 8.315 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.457 8.066 6.895 1.00 0.00 H new ATOM 1217 N GLU A 82 0.519 9.066 7.565 1.00 0.00 N ATOM 1218 CA GLU A 82 1.574 10.032 7.851 1.00 0.00 C ATOM 1219 C GLU A 82 1.585 11.148 6.810 1.00 0.00 C ATOM 1220 O GLU A 82 1.951 12.286 7.109 1.00 0.00 O ATOM 1221 CB GLU A 82 2.937 9.337 7.885 1.00 0.00 C ATOM 1222 CG GLU A 82 3.260 8.698 9.225 1.00 0.00 C ATOM 1223 CD GLU A 82 2.931 9.602 10.397 1.00 0.00 C ATOM 1224 OE1 GLU A 82 3.560 10.674 10.515 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.045 9.236 11.197 1.00 0.00 O ATOM 0 H GLU A 82 0.789 8.092 7.704 1.00 0.00 H new ATOM 0 HA GLU A 82 1.375 10.472 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.964 8.571 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.712 10.064 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.703 7.766 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.319 8.441 9.255 1.00 0.00 H new ATOM 1232 N CYS A 83 1.184 10.814 5.588 1.00 0.00 N ATOM 1233 CA CYS A 83 1.150 11.787 4.502 1.00 0.00 C ATOM 1234 C CYS A 83 -0.132 12.611 4.551 1.00 0.00 C ATOM 1235 O CYS A 83 -0.133 13.798 4.224 1.00 0.00 O ATOM 1236 CB CYS A 83 1.264 11.079 3.152 1.00 0.00 C ATOM 1237 SG CYS A 83 2.609 9.874 3.061 1.00 0.00 S ATOM 0 H CYS A 83 0.878 9.877 5.325 1.00 0.00 H new ATOM 0 HA CYS A 83 1.998 12.461 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.322 10.573 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.408 11.827 2.373 1.00 0.00 H new ATOM 0 HG CYS A 83 2.406 8.931 3.933 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.224 11.974 4.961 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.514 12.647 5.051 1.00 0.00 C ATOM 1245 C PHE A 84 -2.552 13.595 6.246 1.00 0.00 C ATOM 1246 O PHE A 84 -3.363 14.520 6.295 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.643 11.620 5.164 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.687 10.649 4.020 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.387 11.062 2.732 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -4.028 9.323 4.232 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.428 10.170 1.676 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.070 8.427 3.181 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.768 8.851 1.901 1.00 0.00 C ATOM 0 H PHE A 84 -1.241 10.992 5.236 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.654 13.232 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.528 11.066 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.596 12.145 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.118 12.092 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.264 8.986 5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.194 10.505 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.339 7.396 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.798 8.152 1.078 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.668 13.358 7.209 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.597 14.189 8.405 1.00 0.00 C ATOM 1265 C LYS A 85 -0.617 15.341 8.210 1.00 0.00 C ATOM 1266 O LYS A 85 -0.939 16.498 8.484 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.176 13.347 9.612 1.00 0.00 C ATOM 1268 CG LYS A 85 -0.984 14.158 10.882 1.00 0.00 C ATOM 1269 CD LYS A 85 -2.261 14.218 11.703 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.963 14.354 13.188 1.00 0.00 C ATOM 1271 NZ LYS A 85 -1.749 15.774 13.583 1.00 0.00 N ATOM 0 H LYS A 85 -0.990 12.596 7.184 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.588 14.605 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.930 12.581 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.246 12.830 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.186 13.717 11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.668 15.169 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.867 15.062 11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.849 13.317 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.789 13.937 13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.076 13.771 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.549 15.824 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.944 16.164 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.604 16.326 13.371 1.00 0.00 H new ATOM 1285 N THR A 86 0.582 15.019 7.733 1.00 0.00 N ATOM 1286 CA THR A 86 1.608 16.027 7.500 1.00 0.00 C ATOM 1287 C THR A 86 1.495 16.613 6.098 1.00 0.00 C ATOM 1288 O THR A 86 2.251 17.512 5.726 1.00 0.00 O ATOM 1289 CB THR A 86 3.021 15.443 7.688 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.381 14.655 6.547 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.091 14.588 8.944 1.00 0.00 C ATOM 0 H THR A 86 0.866 14.067 7.501 1.00 0.00 H new ATOM 0 HA THR A 86 1.448 16.817 8.234 1.00 0.00 H new ATOM 0 HB THR A 86 3.722 16.271 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.935 13.784 6.597 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.098 14.187 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.845 15.198 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.380 13.766 8.865 1.00 0.00 H new ATOM 1299 N LYS A 87 0.547 16.100 5.322 1.00 0.00 N ATOM 1300 CA LYS A 87 0.332 16.574 3.959 1.00 0.00 C ATOM 1301 C LYS A 87 1.656 16.698 3.212 1.00 0.00 C ATOM 1302 O LYS A 87 1.883 17.669 2.490 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.385 17.926 3.975 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.701 17.907 4.734 1.00 0.00 C ATOM 1305 CD LYS A 87 -2.709 16.978 4.080 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.969 16.842 4.922 1.00 0.00 C ATOM 1307 NZ LYS A 87 -4.821 18.061 4.846 1.00 0.00 N ATOM 0 H LYS A 87 -0.086 15.355 5.613 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.291 15.845 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.272 18.671 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.572 18.241 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.525 17.589 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.111 18.916 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.969 17.359 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.259 15.996 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.541 15.978 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.694 16.655 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.199 18.280 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.251 18.862 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.609 17.894 4.188 1.00 0.00 H new ATOM 1321 N SER A 88 2.526 15.709 3.389 1.00 0.00 N ATOM 1322 CA SER A 88 3.828 15.709 2.733 1.00 0.00 C ATOM 1323 C SER A 88 4.285 14.284 2.434 1.00 0.00 C ATOM 1324 O SER A 88 3.974 13.351 3.175 1.00 0.00 O ATOM 1325 CB SER A 88 4.864 16.416 3.609 1.00 0.00 C ATOM 1326 OG SER A 88 4.794 17.822 3.446 1.00 0.00 O ATOM 0 H SER A 88 2.353 14.897 3.982 1.00 0.00 H new ATOM 0 HA SER A 88 3.733 16.247 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.697 16.159 4.655 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.863 16.066 3.351 1.00 0.00 H new ATOM 0 HG SER A 88 3.932 18.063 3.047 1.00 0.00 H new ATOM 1332 N PHE A 89 5.027 14.124 1.343 1.00 0.00 N ATOM 1333 CA PHE A 89 5.528 12.814 0.944 1.00 0.00 C ATOM 1334 C PHE A 89 6.427 12.223 2.026 1.00 0.00 C ATOM 1335 O PHE A 89 7.618 12.526 2.092 1.00 0.00 O ATOM 1336 CB PHE A 89 6.297 12.919 -0.374 1.00 0.00 C ATOM 1337 CG PHE A 89 6.407 11.613 -1.109 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.383 10.691 -0.768 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.535 11.309 -2.142 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.487 9.489 -1.442 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.633 10.108 -2.819 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.611 9.198 -2.470 1.00 0.00 C ATOM 0 H PHE A 89 5.295 14.886 0.719 1.00 0.00 H new ATOM 0 HA PHE A 89 4.673 12.152 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.803 13.648 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.299 13.299 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.071 10.914 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.770 12.018 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.252 8.778 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.945 9.882 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.691 8.260 -3.000 1.00 0.00 H new ATOM 1352 N VAL A 90 5.847 11.378 2.872 1.00 0.00 N ATOM 1353 CA VAL A 90 6.595 10.743 3.951 1.00 0.00 C ATOM 1354 C VAL A 90 7.550 9.685 3.409 1.00 0.00 C ATOM 1355 O VAL A 90 7.209 8.899 2.526 1.00 0.00 O ATOM 1356 CB VAL A 90 5.652 10.089 4.978 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.451 9.390 6.067 1.00 0.00 C ATOM 1358 CG2 VAL A 90 4.715 11.128 5.577 1.00 0.00 C ATOM 0 H VAL A 90 4.862 11.117 2.831 1.00 0.00 H new ATOM 0 HA VAL A 90 7.169 11.528 4.443 1.00 0.00 H new ATOM 0 HB VAL A 90 5.048 9.340 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.768 8.934 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.077 8.618 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.082 10.117 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.055 10.649 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.300 11.901 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.118 11.579 4.785 1.00 0.00 H new ATOM 1368 N PRO A 91 8.777 9.663 3.950 1.00 0.00 N ATOM 1369 CA PRO A 91 9.808 8.706 3.538 1.00 0.00 C ATOM 1370 C PRO A 91 9.483 7.281 3.973 1.00 0.00 C ATOM 1371 O PRO A 91 8.784 7.069 4.964 1.00 0.00 O ATOM 1372 CB PRO A 91 11.066 9.209 4.250 1.00 0.00 C ATOM 1373 CG PRO A 91 10.557 9.956 5.434 1.00 0.00 C ATOM 1374 CD PRO A 91 9.253 10.571 5.008 1.00 0.00 C ATOM 0 HA PRO A 91 9.907 8.657 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.709 8.381 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.658 9.853 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.414 9.289 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.266 10.723 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.546 10.629 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.390 11.586 4.635 1.00 0.00 H new ATOM 1382 N TRP A 92 9.995 6.308 3.228 1.00 0.00 N ATOM 1383 CA TRP A 92 9.759 4.903 3.539 1.00 0.00 C ATOM 1384 C TRP A 92 10.563 4.473 4.761 1.00 0.00 C ATOM 1385 O TRP A 92 11.746 4.792 4.879 1.00 0.00 O ATOM 1386 CB TRP A 92 10.124 4.026 2.340 1.00 0.00 C ATOM 1387 CG TRP A 92 9.046 3.965 1.299 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.944 4.767 1.213 1.00 0.00 C ATOM 1389 CD2 TRP A 92 8.969 3.053 0.198 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.185 4.407 0.125 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.793 3.360 -0.514 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.779 2.009 -0.256 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.410 2.658 -1.654 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.397 1.313 -1.387 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.221 1.640 -2.076 1.00 0.00 C ATOM 0 H TRP A 92 10.576 6.466 2.405 1.00 0.00 H new ATOM 0 HA TRP A 92 8.699 4.779 3.762 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.038 4.407 1.885 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.339 3.016 2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.704 5.566 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.311 4.848 -0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.687 1.751 0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.504 2.908 -2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.015 0.503 -1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.950 1.077 -2.957 1.00 0.00 H new ATOM 1406 N GLN A 93 9.913 3.750 5.667 1.00 0.00 N ATOM 1407 CA GLN A 93 10.569 3.278 6.881 1.00 0.00 C ATOM 1408 C GLN A 93 10.535 1.755 6.961 1.00 0.00 C ATOM 1409 O GLN A 93 9.687 1.096 6.359 1.00 0.00 O ATOM 1410 CB GLN A 93 9.898 3.881 8.116 1.00 0.00 C ATOM 1411 CG GLN A 93 10.265 5.336 8.358 1.00 0.00 C ATOM 1412 CD GLN A 93 10.111 5.743 9.811 1.00 0.00 C ATOM 1413 OE1 GLN A 93 10.200 4.910 10.713 1.00 0.00 O ATOM 1414 NE2 GLN A 93 9.878 7.029 10.044 1.00 0.00 N ATOM 0 H GLN A 93 8.933 3.478 5.584 1.00 0.00 H new ATOM 0 HA GLN A 93 11.610 3.599 6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.816 3.801 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.174 3.295 8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.296 5.504 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.635 5.974 7.737 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.812 7.685 9.265 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.765 7.361 11.002 1.00 0.00 H new ATOM 1423 N PRO A 94 11.478 1.181 7.722 1.00 0.00 N ATOM 1424 CA PRO A 94 11.577 -0.271 7.900 1.00 0.00 C ATOM 1425 C PRO A 94 10.427 -0.833 8.728 1.00 0.00 C ATOM 1426 O PRO A 94 10.275 -2.048 8.852 1.00 0.00 O ATOM 1427 CB PRO A 94 12.906 -0.448 8.639 1.00 0.00 C ATOM 1428 CG PRO A 94 13.119 0.843 9.350 1.00 0.00 C ATOM 1429 CD PRO A 94 12.521 1.905 8.469 1.00 0.00 C ATOM 0 HA PRO A 94 11.528 -0.803 6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.862 -1.283 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.720 -0.657 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.640 0.833 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.181 1.026 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.101 2.723 9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.265 2.339 7.801 1.00 0.00 H new ATOM 1437 N ARG A 95 9.620 0.058 9.293 1.00 0.00 N ATOM 1438 CA ARG A 95 8.484 -0.350 10.111 1.00 0.00 C ATOM 1439 C ARG A 95 7.197 -0.350 9.292 1.00 0.00 C ATOM 1440 O ARG A 95 6.222 -1.013 9.648 1.00 0.00 O ATOM 1441 CB ARG A 95 8.335 0.582 11.316 1.00 0.00 C ATOM 1442 CG ARG A 95 8.092 2.033 10.937 1.00 0.00 C ATOM 1443 CD ARG A 95 7.785 2.884 12.159 1.00 0.00 C ATOM 1444 NE ARG A 95 8.950 3.037 13.026 1.00 0.00 N ATOM 1445 CZ ARG A 95 9.262 2.183 13.994 1.00 0.00 C ATOM 1446 NH1 ARG A 95 8.501 1.120 14.217 1.00 0.00 N ATOM 1447 NH2 ARG A 95 10.339 2.390 14.742 1.00 0.00 N ATOM 0 H ARG A 95 9.731 1.068 9.200 1.00 0.00 H new ATOM 0 HA ARG A 95 8.669 -1.364 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.508 0.233 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.236 0.521 11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.971 2.429 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.262 2.092 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.440 3.867 11.839 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.971 2.428 12.723 1.00 0.00 H new ATOM 0 HE ARG A 95 9.557 3.844 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.673 0.956 13.644 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.744 0.466 14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.928 3.206 14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.578 1.733 15.485 1.00 0.00 H new ATOM 1461 N PHE A 96 7.200 0.399 8.194 1.00 0.00 N ATOM 1462 CA PHE A 96 6.032 0.486 7.325 1.00 0.00 C ATOM 1463 C PHE A 96 6.034 -0.641 6.296 1.00 0.00 C ATOM 1464 O PHE A 96 5.017 -1.299 6.079 1.00 0.00 O ATOM 1465 CB PHE A 96 6.000 1.840 6.613 1.00 0.00 C ATOM 1466 CG PHE A 96 5.865 3.007 7.550 1.00 0.00 C ATOM 1467 CD1 PHE A 96 5.007 2.944 8.636 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.596 4.166 7.344 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.880 4.015 9.500 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.473 5.240 8.205 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.614 5.165 9.284 1.00 0.00 C ATOM 0 H PHE A 96 7.998 0.954 7.885 1.00 0.00 H new ATOM 0 HA PHE A 96 5.141 0.387 7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.913 1.956 6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.168 1.852 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.431 2.047 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.269 4.231 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.208 3.953 10.343 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.048 6.138 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.516 6.004 9.957 1.00 0.00 H new ATOM 1481 N MET A 97 7.184 -0.858 5.666 1.00 0.00 N ATOM 1482 CA MET A 97 7.318 -1.906 4.661 1.00 0.00 C ATOM 1483 C MET A 97 7.072 -3.281 5.273 1.00 0.00 C ATOM 1484 O MET A 97 7.340 -3.502 6.454 1.00 0.00 O ATOM 1485 CB MET A 97 8.710 -1.859 4.028 1.00 0.00 C ATOM 1486 CG MET A 97 9.091 -0.486 3.497 1.00 0.00 C ATOM 1487 SD MET A 97 8.249 -0.079 1.955 1.00 0.00 S ATOM 1488 CE MET A 97 9.062 -1.201 0.820 1.00 0.00 C ATOM 0 H MET A 97 8.036 -0.322 5.834 1.00 0.00 H new ATOM 0 HA MET A 97 6.569 -1.732 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.447 -2.171 4.768 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.753 -2.580 3.212 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.852 0.268 4.247 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.169 -0.448 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.589 -1.133 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.115 -0.932 0.735 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.977 -2.221 1.194 1.00 0.00 H new ATOM 1498 N ILE A 98 6.559 -4.201 4.463 1.00 0.00 N ATOM 1499 CA ILE A 98 6.278 -5.554 4.925 1.00 0.00 C ATOM 1500 C ILE A 98 7.084 -6.583 4.140 1.00 0.00 C ATOM 1501 O ILE A 98 7.535 -7.587 4.692 1.00 0.00 O ATOM 1502 CB ILE A 98 4.780 -5.890 4.803 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.947 -4.925 5.648 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.524 -7.329 5.226 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.473 -4.940 5.308 1.00 0.00 C ATOM 0 H ILE A 98 6.330 -4.034 3.483 1.00 0.00 H new ATOM 0 HA ILE A 98 6.568 -5.595 5.975 1.00 0.00 H new ATOM 0 HB ILE A 98 4.482 -5.779 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.071 -5.177 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.332 -3.914 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.461 -7.552 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.092 -8.003 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.835 -7.465 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.945 -4.232 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.338 -4.658 4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.073 -5.941 5.468 1.00 0.00 H new ATOM 1517 N HIS A 99 7.264 -6.325 2.848 1.00 0.00 N ATOM 1518 CA HIS A 99 8.019 -7.227 1.986 1.00 0.00 C ATOM 1519 C HIS A 99 8.845 -6.444 0.971 1.00 0.00 C ATOM 1520 O HIS A 99 8.302 -5.858 0.034 1.00 0.00 O ATOM 1521 CB HIS A 99 7.073 -8.185 1.262 1.00 0.00 C ATOM 1522 CG HIS A 99 7.702 -8.877 0.092 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.734 -9.782 0.220 1.00 0.00 N ATOM 1524 CD2 HIS A 99 7.437 -8.795 -1.233 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.079 -10.225 -0.976 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.307 -9.642 -1.875 1.00 0.00 N ATOM 0 H HIS A 99 6.897 -5.499 2.376 1.00 0.00 H new ATOM 0 HA HIS A 99 8.699 -7.804 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.717 -8.935 1.969 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.200 -7.630 0.919 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.682 -8.179 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.860 -10.942 -1.183 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.350 -9.796 -2.882 1.00 0.00 H new