USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 632 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 11 LYS NZ :NH3+ -143:sc= -3.05! (180deg=-4.38!) USER MOD Set 1.2: B 19 TYR OH : rot 130:sc= -1.35! USER MOD Set 2.1: A 61 SER OG : rot 162:sc= -0.903 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 58 MET CE :methyl 176:sc= -3.39! (180deg=-2.98!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -152:sc= -0.643 (180deg=-0.137) USER MOD Set 4.1: A 8 THR OG1 : rot 160:sc= 0 USER MOD Set 4.2: A 11 MET CE :methyl -119:sc= -2.19 (180deg=-6.29!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -4! C(o=-12!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -112:sc= -0.0847 (180deg=-2.12!) USER MOD Single : A 22 GLN : amide:sc= -1.96! C(o=-2!,f=-3.2!) USER MOD Single : A 23 MET CE :methyl 175:sc= -2.26 (180deg=-2.41) USER MOD Single : A 33 GLN :FLIP amide:sc=-0.00287 F(o=-1.8!,f=-0.0029) USER MOD Single : A 35 MET CE :methyl -165:sc= -3.48! (180deg=-4.27!) USER MOD Single : A 36 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.8!) USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.317 USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 0.0825 (180deg=-0.259) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 46 MET CE :methyl -126:sc= -0.368 (180deg=-3.12!) USER MOD Single : A 52 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.6) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.59) USER MOD Single : A 67 SER OG : rot 88:sc= 0.432 USER MOD Single : A 77 GLN : amide:sc= -0.707 K(o=-0.71,f=-2.9!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 7 ASN :FLIP amide:sc= -4.42! C(o=-6.7!,f=-4.4!) USER MOD Single : B 9 ASN : amide:sc= -0.0246 K(o=-0.025,f=-0.75) USER MOD Single : B 18 LYS NZ :NH3+ 159:sc= -0.296 (180deg=-0.883) USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.305 -6.573 -5.654 1.00 0.00 N ATOM 95 CA THR A 8 -8.920 -5.609 -4.755 1.00 0.00 C ATOM 96 C THR A 8 -9.919 -4.750 -5.515 1.00 0.00 C ATOM 97 O THR A 8 -10.912 -4.293 -4.950 1.00 0.00 O ATOM 98 CB THR A 8 -7.851 -4.727 -4.101 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.441 -3.833 -3.174 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.059 -3.904 -5.093 1.00 0.00 C ATOM 0 HA THR A 8 -9.447 -6.152 -3.970 1.00 0.00 H new ATOM 0 HB THR A 8 -7.169 -5.419 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.758 -3.514 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.321 -3.304 -4.561 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.551 -4.568 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.734 -3.246 -5.641 1.00 0.00 H new ATOM 108 N ALA A 9 -9.664 -4.557 -6.805 1.00 0.00 N ATOM 109 CA ALA A 9 -10.586 -3.818 -7.656 1.00 0.00 C ATOM 110 C ALA A 9 -11.939 -4.514 -7.654 1.00 0.00 C ATOM 111 O ALA A 9 -12.987 -3.870 -7.591 1.00 0.00 O ATOM 112 CB ALA A 9 -10.039 -3.706 -9.071 1.00 0.00 C ATOM 0 H ALA A 9 -8.830 -4.901 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.703 -2.807 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.743 -3.150 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.083 -3.184 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.899 -4.704 -9.487 1.00 0.00 H new ATOM 118 N SER A 10 -11.898 -5.844 -7.678 1.00 0.00 N ATOM 119 CA SER A 10 -13.109 -6.646 -7.617 1.00 0.00 C ATOM 120 C SER A 10 -13.751 -6.503 -6.246 1.00 0.00 C ATOM 121 O SER A 10 -14.975 -6.477 -6.122 1.00 0.00 O ATOM 122 CB SER A 10 -12.792 -8.116 -7.899 1.00 0.00 C ATOM 123 OG SER A 10 -13.968 -8.840 -8.218 1.00 0.00 O ATOM 0 H SER A 10 -11.036 -6.386 -7.739 1.00 0.00 H new ATOM 0 HA SER A 10 -13.805 -6.291 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.083 -8.186 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.312 -8.561 -7.027 1.00 0.00 H new ATOM 0 HG SER A 10 -13.738 -9.776 -8.395 1.00 0.00 H new ATOM 129 N MET A 11 -12.912 -6.367 -5.218 1.00 0.00 N ATOM 130 CA MET A 11 -13.408 -6.180 -3.860 1.00 0.00 C ATOM 131 C MET A 11 -14.159 -4.865 -3.752 1.00 0.00 C ATOM 132 O MET A 11 -15.188 -4.784 -3.091 1.00 0.00 O ATOM 133 CB MET A 11 -12.261 -6.187 -2.850 1.00 0.00 C ATOM 134 CG MET A 11 -11.370 -7.413 -2.948 1.00 0.00 C ATOM 135 SD MET A 11 -10.824 -8.007 -1.334 1.00 0.00 S ATOM 136 CE MET A 11 -9.767 -6.657 -0.811 1.00 0.00 C ATOM 0 H MET A 11 -11.896 -6.383 -5.301 1.00 0.00 H new ATOM 0 HA MET A 11 -14.081 -7.008 -3.635 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.653 -5.294 -2.997 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.675 -6.129 -1.843 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.910 -8.209 -3.460 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.498 -7.176 -3.557 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.751 -7.025 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.765 -5.879 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.141 -6.244 0.126 1.00 0.00 H new ATOM 146 N LEU A 12 -13.638 -3.840 -4.420 1.00 0.00 N ATOM 147 CA LEU A 12 -14.254 -2.522 -4.402 1.00 0.00 C ATOM 148 C LEU A 12 -15.726 -2.619 -4.777 1.00 0.00 C ATOM 149 O LEU A 12 -16.587 -2.043 -4.111 1.00 0.00 O ATOM 150 CB LEU A 12 -13.522 -1.591 -5.372 1.00 0.00 C ATOM 151 CG LEU A 12 -12.042 -1.347 -5.055 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.487 -0.241 -5.939 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.853 -1.002 -3.585 1.00 0.00 C ATOM 0 H LEU A 12 -12.788 -3.900 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.180 -2.114 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.598 -2.008 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.037 -0.630 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.492 -2.265 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.435 -0.079 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.583 -0.529 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.044 0.679 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.795 -0.833 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.416 -0.099 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.212 -1.826 -2.969 1.00 0.00 H new ATOM 165 N ALA A 13 -16.007 -3.372 -5.833 1.00 0.00 N ATOM 166 CA ALA A 13 -17.377 -3.577 -6.279 1.00 0.00 C ATOM 167 C ALA A 13 -18.176 -4.366 -5.247 1.00 0.00 C ATOM 168 O ALA A 13 -19.378 -4.152 -5.084 1.00 0.00 O ATOM 169 CB ALA A 13 -17.392 -4.291 -7.622 1.00 0.00 C ATOM 0 H ALA A 13 -15.304 -3.850 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.848 -2.601 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.423 -4.438 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.863 -3.688 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.900 -5.259 -7.525 1.00 0.00 H new ATOM 175 N SER A 14 -17.504 -5.285 -4.555 1.00 0.00 N ATOM 176 CA SER A 14 -18.161 -6.118 -3.553 1.00 0.00 C ATOM 177 C SER A 14 -17.878 -5.621 -2.137 1.00 0.00 C ATOM 178 O SER A 14 -18.031 -6.365 -1.168 1.00 0.00 O ATOM 179 CB SER A 14 -17.703 -7.572 -3.694 1.00 0.00 C ATOM 180 OG SER A 14 -17.992 -8.074 -4.987 1.00 0.00 O ATOM 0 H SER A 14 -16.508 -5.470 -4.670 1.00 0.00 H new ATOM 0 HA SER A 14 -19.236 -6.057 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.632 -7.639 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.198 -8.187 -2.943 1.00 0.00 H new ATOM 0 HG SER A 14 -17.688 -9.003 -5.052 1.00 0.00 H new ATOM 186 N ALA A 15 -17.473 -4.359 -2.020 1.00 0.00 N ATOM 187 CA ALA A 15 -17.172 -3.774 -0.717 1.00 0.00 C ATOM 188 C ALA A 15 -17.753 -2.365 -0.599 1.00 0.00 C ATOM 189 O ALA A 15 -17.324 -1.451 -1.304 1.00 0.00 O ATOM 190 CB ALA A 15 -15.672 -3.749 -0.476 1.00 0.00 C ATOM 0 H ALA A 15 -17.346 -3.724 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.638 -4.398 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.468 -3.309 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.282 -4.766 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.189 -3.153 -1.250 1.00 0.00 H new ATOM 241 N GLU A 19 -16.038 0.087 3.606 1.00 0.00 N ATOM 242 CA GLU A 19 -15.031 -0.965 3.527 1.00 0.00 C ATOM 243 C GLU A 19 -13.692 -0.411 3.048 1.00 0.00 C ATOM 244 O GLU A 19 -12.788 -1.167 2.697 1.00 0.00 O ATOM 245 CB GLU A 19 -15.501 -2.074 2.584 1.00 0.00 C ATOM 246 CG GLU A 19 -15.843 -3.376 3.290 1.00 0.00 C ATOM 247 CD GLU A 19 -16.875 -3.195 4.386 1.00 0.00 C ATOM 248 OE1 GLU A 19 -18.084 -3.278 4.083 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.474 -2.973 5.549 1.00 0.00 O ATOM 0 HA GLU A 19 -14.894 -1.375 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.378 -1.726 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.722 -2.265 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.217 -4.093 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.935 -3.801 3.718 1.00 0.00 H new ATOM 256 N GLN A 20 -13.575 0.915 3.049 1.00 0.00 N ATOM 257 CA GLN A 20 -12.348 1.588 2.619 1.00 0.00 C ATOM 258 C GLN A 20 -11.116 0.948 3.245 1.00 0.00 C ATOM 259 O GLN A 20 -10.317 0.307 2.562 1.00 0.00 O ATOM 260 CB GLN A 20 -12.384 3.072 3.007 1.00 0.00 C ATOM 261 CG GLN A 20 -13.419 3.414 4.066 1.00 0.00 C ATOM 262 CD GLN A 20 -12.798 3.680 5.423 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.471 3.702 5.478 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -13.505 3.867 6.413 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.318 1.549 3.344 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.288 1.489 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.399 3.365 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.584 3.665 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.981 4.293 3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.131 2.593 4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.521 3.841 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.075 4.048 7.320 1.00 0.00 H new ATOM 273 N LYS A 21 -10.981 1.117 4.551 1.00 0.00 N ATOM 274 CA LYS A 21 -9.824 0.615 5.279 1.00 0.00 C ATOM 275 C LYS A 21 -9.629 -0.883 5.068 1.00 0.00 C ATOM 276 O LYS A 21 -8.539 -1.408 5.289 1.00 0.00 O ATOM 277 CB LYS A 21 -9.968 0.923 6.774 1.00 0.00 C ATOM 278 CG LYS A 21 -11.410 1.053 7.255 1.00 0.00 C ATOM 279 CD LYS A 21 -12.251 -0.165 6.899 1.00 0.00 C ATOM 280 CE LYS A 21 -11.917 -1.358 7.778 1.00 0.00 C ATOM 281 NZ LYS A 21 -12.926 -2.446 7.643 1.00 0.00 N ATOM 0 H LYS A 21 -11.664 1.602 5.133 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.941 1.121 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.478 0.134 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.439 1.851 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.419 1.194 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.859 1.943 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.308 0.080 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.087 -0.427 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.932 -1.741 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.864 -1.039 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.458 -2.538 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.582 -2.217 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.443 -3.343 7.434 1.00 0.00 H new ATOM 295 N GLN A 22 -10.685 -1.571 4.650 1.00 0.00 N ATOM 296 CA GLN A 22 -10.604 -3.005 4.399 1.00 0.00 C ATOM 297 C GLN A 22 -9.829 -3.307 3.118 1.00 0.00 C ATOM 298 O GLN A 22 -8.664 -3.705 3.161 1.00 0.00 O ATOM 299 CB GLN A 22 -12.004 -3.616 4.312 1.00 0.00 C ATOM 300 CG GLN A 22 -11.995 -5.089 3.936 1.00 0.00 C ATOM 301 CD GLN A 22 -13.252 -5.514 3.204 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.380 -5.314 1.997 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.190 -6.106 3.935 1.00 0.00 N ATOM 0 H GLN A 22 -11.603 -1.162 4.478 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.068 -3.452 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.505 -3.496 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.589 -3.064 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.127 -5.294 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.885 -5.689 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.042 -6.252 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.058 -6.415 3.498 1.00 0.00 H new ATOM 312 N MET A 23 -10.509 -3.167 1.985 1.00 0.00 N ATOM 313 CA MET A 23 -9.925 -3.486 0.683 1.00 0.00 C ATOM 314 C MET A 23 -8.834 -2.499 0.260 1.00 0.00 C ATOM 315 O MET A 23 -7.657 -2.680 0.571 1.00 0.00 O ATOM 316 CB MET A 23 -11.017 -3.539 -0.399 1.00 0.00 C ATOM 317 CG MET A 23 -12.335 -2.895 0.007 1.00 0.00 C ATOM 318 SD MET A 23 -12.317 -1.101 -0.173 1.00 0.00 S ATOM 319 CE MET A 23 -14.019 -0.782 -0.631 1.00 0.00 C ATOM 0 H MET A 23 -11.472 -2.833 1.940 1.00 0.00 H new ATOM 0 HA MET A 23 -9.457 -4.465 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.646 -3.045 -1.297 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.201 -4.581 -0.662 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.139 -3.309 -0.601 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.555 -3.150 1.044 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.184 0.294 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.226 -1.235 -1.601 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.684 -1.211 0.119 1.00 0.00 H new ATOM 329 N LEU A 24 -9.240 -1.494 -0.508 1.00 0.00 N ATOM 330 CA LEU A 24 -8.327 -0.517 -1.095 1.00 0.00 C ATOM 331 C LEU A 24 -7.551 0.295 -0.061 1.00 0.00 C ATOM 332 O LEU A 24 -6.790 1.191 -0.427 1.00 0.00 O ATOM 333 CB LEU A 24 -9.140 0.425 -2.001 1.00 0.00 C ATOM 334 CG LEU A 24 -9.601 1.759 -1.387 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.555 2.466 -2.334 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.258 1.561 -0.035 1.00 0.00 C ATOM 0 H LEU A 24 -10.219 -1.332 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.578 -1.068 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.540 0.648 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.024 -0.114 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.716 2.377 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.876 3.409 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.050 2.663 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.425 1.834 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.569 2.527 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.130 0.916 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.548 1.097 0.650 1.00 0.00 H new ATOM 348 N GLY A 25 -7.756 0.014 1.218 1.00 0.00 N ATOM 349 CA GLY A 25 -7.128 0.832 2.232 1.00 0.00 C ATOM 350 C GLY A 25 -7.697 2.223 2.147 1.00 0.00 C ATOM 351 O GLY A 25 -8.902 2.416 2.290 1.00 0.00 O ATOM 0 H GLY A 25 -8.334 -0.751 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.305 0.411 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.048 0.855 2.084 1.00 0.00 H new ATOM 355 N GLU A 26 -6.853 3.188 1.849 1.00 0.00 N ATOM 356 CA GLU A 26 -7.346 4.509 1.513 1.00 0.00 C ATOM 357 C GLU A 26 -7.905 4.440 0.094 1.00 0.00 C ATOM 358 O GLU A 26 -9.111 4.525 -0.134 1.00 0.00 O ATOM 359 CB GLU A 26 -6.234 5.554 1.613 1.00 0.00 C ATOM 360 CG GLU A 26 -6.281 6.374 2.895 1.00 0.00 C ATOM 361 CD GLU A 26 -6.599 5.534 4.118 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.797 5.325 4.400 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.650 5.089 4.796 1.00 0.00 O ATOM 0 H GLU A 26 -5.838 3.087 1.832 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.124 4.812 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.269 5.052 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.302 6.227 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.321 6.869 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.032 7.158 2.793 1.00 0.00 H new ATOM 370 N ARG A 27 -6.987 4.232 -0.843 1.00 0.00 N ATOM 371 CA ARG A 27 -7.293 4.022 -2.255 1.00 0.00 C ATOM 372 C ARG A 27 -6.090 3.349 -2.898 1.00 0.00 C ATOM 373 O ARG A 27 -6.007 3.182 -4.112 1.00 0.00 O ATOM 374 CB ARG A 27 -7.593 5.355 -2.949 1.00 0.00 C ATOM 375 CG ARG A 27 -7.896 5.233 -4.435 1.00 0.00 C ATOM 376 CD ARG A 27 -9.074 4.309 -4.696 1.00 0.00 C ATOM 377 NE ARG A 27 -9.751 4.622 -5.953 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.037 4.371 -6.182 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.785 3.807 -5.244 1.00 0.00 N ATOM 380 NH2 ARG A 27 -11.577 4.685 -7.353 1.00 0.00 N ATOM 0 H ARG A 27 -5.988 4.204 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.178 3.394 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.443 5.826 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.739 6.020 -2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.110 6.220 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.016 4.856 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.726 3.276 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.784 4.387 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.206 5.058 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.375 3.564 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.771 3.616 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.006 5.119 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.563 4.492 -7.528 1.00 0.00 H new ATOM 394 N LEU A 28 -5.139 3.005 -2.044 1.00 0.00 N ATOM 395 CA LEU A 28 -3.842 2.503 -2.461 1.00 0.00 C ATOM 396 C LEU A 28 -3.893 1.218 -3.285 1.00 0.00 C ATOM 397 O LEU A 28 -3.631 1.248 -4.487 1.00 0.00 O ATOM 398 CB LEU A 28 -2.972 2.318 -1.226 1.00 0.00 C ATOM 399 CG LEU A 28 -2.094 3.531 -0.901 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.690 4.343 0.239 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.682 3.095 -0.567 1.00 0.00 C ATOM 0 H LEU A 28 -5.248 3.068 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.415 3.246 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.613 2.105 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.333 1.447 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.056 4.168 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.048 5.198 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.682 4.695 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.767 3.718 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.075 3.971 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.701 2.432 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.253 2.568 -1.419 1.00 0.00 H new ATOM 413 N PHE A 29 -4.144 0.089 -2.627 1.00 0.00 N ATOM 414 CA PHE A 29 -4.123 -1.222 -3.288 1.00 0.00 C ATOM 415 C PHE A 29 -4.584 -1.173 -4.753 1.00 0.00 C ATOM 416 O PHE A 29 -3.889 -1.687 -5.622 1.00 0.00 O ATOM 417 CB PHE A 29 -4.959 -2.239 -2.510 1.00 0.00 C ATOM 418 CG PHE A 29 -4.262 -3.560 -2.342 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.892 -4.305 -3.451 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.954 -4.042 -1.081 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.239 -5.512 -3.304 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.300 -5.250 -0.928 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.944 -5.988 -2.041 1.00 0.00 C ATOM 0 H PHE A 29 -4.366 0.051 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.079 -1.537 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.197 -1.831 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.905 -2.396 -3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.117 -3.937 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.228 -3.468 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.959 -6.084 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.067 -5.617 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.437 -6.934 -1.924 1.00 0.00 H new ATOM 433 N PRO A 30 -5.752 -0.566 -5.065 1.00 0.00 N ATOM 434 CA PRO A 30 -6.264 -0.516 -6.443 1.00 0.00 C ATOM 435 C PRO A 30 -5.320 0.200 -7.410 1.00 0.00 C ATOM 436 O PRO A 30 -5.120 -0.258 -8.537 1.00 0.00 O ATOM 437 CB PRO A 30 -7.591 0.243 -6.323 1.00 0.00 C ATOM 438 CG PRO A 30 -7.541 0.923 -5.001 1.00 0.00 C ATOM 439 CD PRO A 30 -6.681 0.064 -4.118 1.00 0.00 C ATOM 0 HA PRO A 30 -6.372 -1.519 -6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.705 0.965 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.440 -0.438 -6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.123 1.925 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.541 1.033 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.154 0.656 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.271 -0.677 -3.579 1.00 0.00 H new ATOM 447 N LEU A 31 -4.709 1.299 -6.967 1.00 0.00 N ATOM 448 CA LEU A 31 -3.787 2.040 -7.831 1.00 0.00 C ATOM 449 C LEU A 31 -2.505 1.249 -8.028 1.00 0.00 C ATOM 450 O LEU A 31 -2.044 1.060 -9.156 1.00 0.00 O ATOM 451 CB LEU A 31 -3.453 3.419 -7.249 1.00 0.00 C ATOM 452 CG LEU A 31 -4.384 3.901 -6.147 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.600 4.612 -5.055 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.458 4.809 -6.715 1.00 0.00 C ATOM 0 H LEU A 31 -4.831 1.691 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.281 2.186 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.436 3.394 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.465 4.149 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.871 3.032 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.284 4.949 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.871 3.926 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.082 5.472 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.114 5.143 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.991 5.674 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.042 4.263 -7.456 1.00 0.00 H new ATOM 466 N ILE A 32 -1.942 0.762 -6.930 1.00 0.00 N ATOM 467 CA ILE A 32 -0.737 -0.045 -7.006 1.00 0.00 C ATOM 468 C ILE A 32 -1.049 -1.379 -7.661 1.00 0.00 C ATOM 469 O ILE A 32 -0.154 -2.066 -8.140 1.00 0.00 O ATOM 470 CB ILE A 32 -0.104 -0.296 -5.624 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.477 0.831 -4.652 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.407 -0.420 -5.767 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.239 0.761 -3.318 1.00 0.00 C ATOM 0 H ILE A 32 -2.298 0.911 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.017 0.515 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.491 -1.229 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.255 1.789 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.552 0.804 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.852 -0.597 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.643 -1.253 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.810 0.502 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.080 1.592 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.002 -0.180 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.315 0.821 -3.479 1.00 0.00 H new ATOM 485 N GLN A 33 -2.326 -1.755 -7.650 1.00 0.00 N ATOM 486 CA GLN A 33 -2.759 -2.982 -8.307 1.00 0.00 C ATOM 487 C GLN A 33 -2.504 -2.864 -9.801 1.00 0.00 C ATOM 488 O GLN A 33 -2.189 -3.842 -10.478 1.00 0.00 O ATOM 489 CB GLN A 33 -4.234 -3.262 -8.024 1.00 0.00 C ATOM 490 CG GLN A 33 -4.836 -4.343 -8.910 1.00 0.00 C ATOM 491 CD GLN A 33 -4.754 -5.725 -8.288 1.00 0.00 C ATOM 492 OE1 GLN A 33 -3.720 -5.957 -7.487 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -5.609 -6.576 -8.528 1.00 0.00 N flip ATOM 0 H GLN A 33 -3.073 -1.230 -7.196 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.188 -3.822 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.344 -3.558 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.801 -2.340 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.880 -4.102 -9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.319 -4.350 -9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.387 -6.356 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.540 -7.502 -8.106 1.00 0.00 H new ATOM 502 N ALA A 34 -2.616 -1.640 -10.302 1.00 0.00 N ATOM 503 CA ALA A 34 -2.293 -1.362 -11.692 1.00 0.00 C ATOM 504 C ALA A 34 -0.785 -1.467 -11.865 1.00 0.00 C ATOM 505 O ALA A 34 -0.280 -1.792 -12.939 1.00 0.00 O ATOM 506 CB ALA A 34 -2.793 0.015 -12.100 1.00 0.00 C ATOM 0 H ALA A 34 -2.927 -0.829 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.788 -2.088 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.539 0.200 -13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.875 0.061 -11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.324 0.773 -11.473 1.00 0.00 H new ATOM 512 N MET A 35 -0.084 -1.233 -10.759 1.00 0.00 N ATOM 513 CA MET A 35 1.367 -1.338 -10.709 1.00 0.00 C ATOM 514 C MET A 35 1.766 -2.652 -10.046 1.00 0.00 C ATOM 515 O MET A 35 2.918 -2.844 -9.653 1.00 0.00 O ATOM 516 CB MET A 35 1.944 -0.153 -9.933 1.00 0.00 C ATOM 517 CG MET A 35 1.331 1.172 -10.338 1.00 0.00 C ATOM 518 SD MET A 35 1.983 2.566 -9.406 1.00 0.00 S ATOM 519 CE MET A 35 0.483 3.510 -9.167 1.00 0.00 C ATOM 0 H MET A 35 -0.509 -0.965 -9.872 1.00 0.00 H new ATOM 0 HA MET A 35 1.767 -1.321 -11.723 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.784 -0.311 -8.867 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.022 -0.112 -10.091 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.509 1.338 -11.401 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.251 1.123 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.736 4.521 -8.847 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.072 3.554 -10.104 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.131 3.031 -8.404 1.00 0.00 H new ATOM 529 N HIS A 36 0.789 -3.550 -9.918 1.00 0.00 N ATOM 530 CA HIS A 36 1.006 -4.849 -9.294 1.00 0.00 C ATOM 531 C HIS A 36 2.023 -5.694 -10.069 1.00 0.00 C ATOM 532 O HIS A 36 2.810 -6.409 -9.447 1.00 0.00 O ATOM 533 CB HIS A 36 -0.324 -5.599 -9.127 1.00 0.00 C ATOM 534 CG HIS A 36 -0.503 -6.769 -10.048 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.175 -7.948 -9.852 1.00 0.00 N ATOM 536 CD2 HIS A 36 -1.299 -6.891 -11.139 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.213 -8.755 -10.824 1.00 0.00 C ATOM 538 NE2 HIS A 36 -1.104 -8.157 -11.628 1.00 0.00 N ATOM 0 H HIS A 36 -0.166 -3.397 -10.242 1.00 0.00 H new ATOM 0 HA HIS A 36 1.427 -4.671 -8.305 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.401 -5.949 -8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.143 -4.898 -9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.958 -6.138 -11.544 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.142 -9.767 -10.954 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.552 -8.566 -12.448 1.00 0.00 H new ATOM 546 N PRO A 37 2.050 -5.632 -11.429 1.00 0.00 N ATOM 547 CA PRO A 37 3.034 -6.373 -12.219 1.00 0.00 C ATOM 548 C PRO A 37 4.413 -6.284 -11.581 1.00 0.00 C ATOM 549 O PRO A 37 5.235 -7.192 -11.707 1.00 0.00 O ATOM 550 CB PRO A 37 3.018 -5.682 -13.593 1.00 0.00 C ATOM 551 CG PRO A 37 2.095 -4.512 -13.455 1.00 0.00 C ATOM 552 CD PRO A 37 1.188 -4.821 -12.301 1.00 0.00 C ATOM 0 HA PRO A 37 2.800 -7.435 -12.288 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.019 -5.358 -13.879 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.670 -6.364 -14.369 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.655 -3.595 -13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.522 -4.360 -14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.843 -3.915 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.300 -5.369 -12.618 1.00 0.00 H new ATOM 560 N THR A 38 4.628 -5.196 -10.845 1.00 0.00 N ATOM 561 CA THR A 38 5.854 -5.009 -10.091 1.00 0.00 C ATOM 562 C THR A 38 5.756 -5.765 -8.771 1.00 0.00 C ATOM 563 O THR A 38 6.238 -6.894 -8.662 1.00 0.00 O ATOM 564 CB THR A 38 6.107 -3.522 -9.834 1.00 0.00 C ATOM 565 OG1 THR A 38 5.615 -2.738 -10.906 1.00 0.00 O ATOM 566 CG2 THR A 38 7.570 -3.186 -9.650 1.00 0.00 C ATOM 0 H THR A 38 3.961 -4.429 -10.758 1.00 0.00 H new ATOM 0 HA THR A 38 6.691 -5.400 -10.670 1.00 0.00 H new ATOM 0 HB THR A 38 5.582 -3.295 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.659 -2.566 -10.774 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.678 -2.116 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.966 -3.738 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.122 -3.462 -10.548 1.00 0.00 H new ATOM 574 N LEU A 39 5.105 -5.158 -7.774 1.00 0.00 N ATOM 575 CA LEU A 39 4.928 -5.818 -6.483 1.00 0.00 C ATOM 576 C LEU A 39 3.998 -5.045 -5.541 1.00 0.00 C ATOM 577 O LEU A 39 4.426 -4.610 -4.473 1.00 0.00 O ATOM 578 CB LEU A 39 6.289 -6.022 -5.811 1.00 0.00 C ATOM 579 CG LEU A 39 6.468 -7.361 -5.084 1.00 0.00 C ATOM 580 CD1 LEU A 39 5.603 -7.410 -3.834 1.00 0.00 C ATOM 581 CD2 LEU A 39 6.143 -8.526 -6.009 1.00 0.00 C ATOM 0 H LEU A 39 4.698 -4.225 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 39 4.456 -6.781 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.067 -5.932 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.447 -5.215 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 39 7.512 -7.449 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.743 -8.367 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.890 -6.602 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.555 -7.296 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.277 -9.465 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.110 -8.445 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.809 -8.503 -6.871 1.00 0.00 H new ATOM 593 N ALA A 40 2.712 -4.930 -5.894 1.00 0.00 N ATOM 594 CA ALA A 40 1.745 -4.280 -5.006 1.00 0.00 C ATOM 595 C ALA A 40 1.609 -5.093 -3.719 1.00 0.00 C ATOM 596 O ALA A 40 2.363 -6.041 -3.497 1.00 0.00 O ATOM 597 CB ALA A 40 0.386 -4.109 -5.688 1.00 0.00 C ATOM 0 H ALA A 40 2.323 -5.272 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 40 2.111 -3.282 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.307 -3.624 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.502 -3.495 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.006 -5.087 -5.968 1.00 0.00 H new ATOM 603 N GLY A 41 0.659 -4.725 -2.870 1.00 0.00 N ATOM 604 CA GLY A 41 0.463 -5.458 -1.631 1.00 0.00 C ATOM 605 C GLY A 41 0.910 -4.684 -0.406 1.00 0.00 C ATOM 606 O GLY A 41 0.241 -3.746 0.015 1.00 0.00 O ATOM 0 H GLY A 41 0.025 -3.939 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.592 -5.711 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.013 -6.398 -1.681 1.00 0.00 H new ATOM 610 N LYS A 42 2.036 -5.089 0.176 1.00 0.00 N ATOM 611 CA LYS A 42 2.545 -4.448 1.387 1.00 0.00 C ATOM 612 C LYS A 42 2.754 -2.951 1.185 1.00 0.00 C ATOM 613 O LYS A 42 2.770 -2.182 2.150 1.00 0.00 O ATOM 614 CB LYS A 42 3.856 -5.106 1.836 1.00 0.00 C ATOM 615 CG LYS A 42 4.332 -4.666 3.218 1.00 0.00 C ATOM 616 CD LYS A 42 3.172 -4.412 4.172 1.00 0.00 C ATOM 617 CE LYS A 42 2.630 -5.708 4.751 1.00 0.00 C ATOM 618 NZ LYS A 42 3.583 -6.329 5.713 1.00 0.00 N ATOM 0 H LYS A 42 2.613 -5.856 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 42 1.795 -4.581 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.726 -6.188 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.633 -4.878 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.984 -5.433 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.928 -3.758 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.502 -3.761 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.375 -3.887 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.683 -5.513 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.423 -6.408 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.797 -7.301 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.462 -5.773 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.157 -6.347 6.661 1.00 0.00 H new ATOM 632 N ILE A 43 2.910 -2.538 -0.067 1.00 0.00 N ATOM 633 CA ILE A 43 3.110 -1.128 -0.380 1.00 0.00 C ATOM 634 C ILE A 43 1.999 -0.274 0.220 1.00 0.00 C ATOM 635 O ILE A 43 2.262 0.758 0.838 1.00 0.00 O ATOM 636 CB ILE A 43 3.162 -0.880 -1.898 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.164 -1.827 -2.564 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.528 0.569 -2.179 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.240 -1.666 -4.066 1.00 0.00 C ATOM 0 H ILE A 43 2.902 -3.156 -0.879 1.00 0.00 H new ATOM 0 HA ILE A 43 4.068 -0.845 0.055 1.00 0.00 H new ATOM 0 HB ILE A 43 2.176 -1.078 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.152 -1.656 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.890 -2.856 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.562 0.733 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.780 1.226 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.505 0.788 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.969 -2.368 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.262 -1.866 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.544 -0.648 -4.308 1.00 0.00 H new ATOM 651 N THR A 44 0.755 -0.717 0.045 1.00 0.00 N ATOM 652 CA THR A 44 -0.391 0.012 0.562 1.00 0.00 C ATOM 653 C THR A 44 -0.282 0.217 2.068 1.00 0.00 C ATOM 654 O THR A 44 -0.517 1.314 2.562 1.00 0.00 O ATOM 655 CB THR A 44 -1.695 -0.718 0.217 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.816 0.073 0.566 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.851 -2.052 0.911 1.00 0.00 C ATOM 0 H THR A 44 0.520 -1.577 -0.451 1.00 0.00 H new ATOM 0 HA THR A 44 -0.402 0.993 0.088 1.00 0.00 H new ATOM 0 HB THR A 44 -1.643 -0.894 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.639 -0.407 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.797 -2.507 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.029 -2.708 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.840 -1.904 1.991 1.00 0.00 H new ATOM 665 N GLY A 45 0.095 -0.837 2.784 1.00 0.00 N ATOM 666 CA GLY A 45 0.197 -0.766 4.232 1.00 0.00 C ATOM 667 C GLY A 45 0.985 0.432 4.732 1.00 0.00 C ATOM 668 O GLY A 45 0.595 1.072 5.709 1.00 0.00 O ATOM 0 H GLY A 45 0.333 -1.745 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.806 -0.732 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.668 -1.678 4.599 1.00 0.00 H new ATOM 672 N MET A 46 2.114 0.715 4.089 1.00 0.00 N ATOM 673 CA MET A 46 2.987 1.814 4.512 1.00 0.00 C ATOM 674 C MET A 46 2.431 3.175 4.109 1.00 0.00 C ATOM 675 O MET A 46 2.359 4.087 4.930 1.00 0.00 O ATOM 676 CB MET A 46 4.393 1.643 3.924 1.00 0.00 C ATOM 677 CG MET A 46 4.639 0.298 3.259 1.00 0.00 C ATOM 678 SD MET A 46 6.064 -0.568 3.945 1.00 0.00 S ATOM 679 CE MET A 46 6.643 -1.463 2.505 1.00 0.00 C ATOM 0 H MET A 46 2.449 0.201 3.274 1.00 0.00 H new ATOM 0 HA MET A 46 3.037 1.777 5.600 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.566 2.433 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.125 1.780 4.720 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.752 -0.325 3.371 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.790 0.448 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.721 -2.524 2.743 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.939 -1.326 1.684 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.622 -1.084 2.210 1.00 0.00 H new ATOM 689 N LEU A 47 2.093 3.333 2.838 1.00 0.00 N ATOM 690 CA LEU A 47 1.580 4.609 2.359 1.00 0.00 C ATOM 691 C LEU A 47 0.105 4.771 2.710 1.00 0.00 C ATOM 692 O LEU A 47 -0.503 5.798 2.407 1.00 0.00 O ATOM 693 CB LEU A 47 1.795 4.750 0.850 1.00 0.00 C ATOM 694 CG LEU A 47 3.259 4.844 0.400 1.00 0.00 C ATOM 695 CD1 LEU A 47 4.039 5.809 1.284 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.911 3.470 0.403 1.00 0.00 C ATOM 0 H LEU A 47 2.163 2.605 2.127 1.00 0.00 H new ATOM 0 HA LEU A 47 2.136 5.403 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.334 3.896 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.269 5.641 0.507 1.00 0.00 H new ATOM 0 HG LEU A 47 3.275 5.230 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.074 5.858 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.590 6.801 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.012 5.460 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.949 3.559 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.878 3.054 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.374 2.811 -0.280 1.00 0.00 H new ATOM 708 N LEU A 48 -0.463 3.764 3.371 1.00 0.00 N ATOM 709 CA LEU A 48 -1.855 3.827 3.805 1.00 0.00 C ATOM 710 C LEU A 48 -2.019 4.900 4.855 1.00 0.00 C ATOM 711 O LEU A 48 -3.127 5.345 5.148 1.00 0.00 O ATOM 712 CB LEU A 48 -2.315 2.492 4.374 1.00 0.00 C ATOM 713 CG LEU A 48 -3.417 1.816 3.565 1.00 0.00 C ATOM 714 CD1 LEU A 48 -3.210 0.315 3.528 1.00 0.00 C ATOM 715 CD2 LEU A 48 -4.778 2.160 4.145 1.00 0.00 C ATOM 0 H LEU A 48 0.018 2.899 3.616 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.467 4.063 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.459 1.820 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.670 2.647 5.393 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.374 2.186 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.007 -0.148 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.248 0.092 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.226 -0.080 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.557 1.672 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.831 1.816 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.924 3.240 4.115 1.00 0.00 H new ATOM 727 N GLU A 49 -0.894 5.325 5.402 1.00 0.00 N ATOM 728 CA GLU A 49 -0.876 6.360 6.411 1.00 0.00 C ATOM 729 C GLU A 49 -1.133 7.717 5.757 1.00 0.00 C ATOM 730 O GLU A 49 -0.883 8.770 6.343 1.00 0.00 O ATOM 731 CB GLU A 49 0.471 6.333 7.136 1.00 0.00 C ATOM 732 CG GLU A 49 0.671 5.095 8.012 1.00 0.00 C ATOM 733 CD GLU A 49 0.753 3.794 7.238 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.286 3.343 6.715 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.847 3.194 7.215 1.00 0.00 O ATOM 0 H GLU A 49 0.027 4.962 5.158 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.663 6.186 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.272 6.379 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.558 7.225 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.585 5.218 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.152 5.030 8.724 1.00 0.00 H new ATOM 742 N ILE A 50 -1.661 7.658 4.534 1.00 0.00 N ATOM 743 CA ILE A 50 -1.991 8.838 3.752 1.00 0.00 C ATOM 744 C ILE A 50 -3.378 9.365 4.125 1.00 0.00 C ATOM 745 O ILE A 50 -4.122 8.709 4.855 1.00 0.00 O ATOM 746 CB ILE A 50 -1.938 8.500 2.241 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.180 9.577 1.466 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.334 8.302 1.663 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.854 9.167 0.046 1.00 0.00 C ATOM 0 H ILE A 50 -1.871 6.780 4.059 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.259 9.615 3.971 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.399 7.559 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.776 10.490 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.254 9.811 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.258 8.066 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.830 7.482 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.914 9.216 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.316 9.974 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.233 8.271 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.778 8.960 -0.494 1.00 0.00 H new ATOM 761 N ASP A 51 -3.718 10.550 3.628 1.00 0.00 N ATOM 762 CA ASP A 51 -5.013 11.157 3.912 1.00 0.00 C ATOM 763 C ASP A 51 -6.146 10.434 3.190 1.00 0.00 C ATOM 764 O ASP A 51 -5.977 9.954 2.069 1.00 0.00 O ATOM 765 CB ASP A 51 -5.007 12.625 3.492 1.00 0.00 C ATOM 766 CG ASP A 51 -4.326 13.516 4.513 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.950 13.811 5.554 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.168 13.916 4.272 1.00 0.00 O ATOM 0 H ASP A 51 -3.114 11.109 3.026 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.183 11.076 4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.500 12.723 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.033 12.963 3.346 1.00 0.00 H new ATOM 773 N ASN A 52 -7.315 10.404 3.824 1.00 0.00 N ATOM 774 CA ASN A 52 -8.501 9.808 3.221 1.00 0.00 C ATOM 775 C ASN A 52 -9.102 10.784 2.211 1.00 0.00 C ATOM 776 O ASN A 52 -9.677 10.384 1.199 1.00 0.00 O ATOM 777 CB ASN A 52 -9.524 9.460 4.309 1.00 0.00 C ATOM 778 CG ASN A 52 -10.394 8.263 3.957 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.596 8.406 3.730 1.00 0.00 O ATOM 780 ND2 ASN A 52 -9.803 7.069 3.942 1.00 0.00 N ATOM 0 H ASN A 52 -7.465 10.787 4.757 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.224 8.889 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.997 9.256 5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.163 10.325 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.349 6.232 3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.804 6.992 4.135 1.00 0.00 H new ATOM 787 N SER A 53 -8.935 12.074 2.480 1.00 0.00 N ATOM 788 CA SER A 53 -9.406 13.107 1.570 1.00 0.00 C ATOM 789 C SER A 53 -8.494 13.177 0.351 1.00 0.00 C ATOM 790 O SER A 53 -8.927 13.498 -0.757 1.00 0.00 O ATOM 791 CB SER A 53 -9.448 14.466 2.273 1.00 0.00 C ATOM 792 OG SER A 53 -10.783 14.871 2.523 1.00 0.00 O ATOM 0 H SER A 53 -8.477 12.427 3.320 1.00 0.00 H new ATOM 0 HA SER A 53 -10.416 12.854 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.900 14.409 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.948 15.213 1.657 1.00 0.00 H new ATOM 0 HG SER A 53 -10.782 15.741 2.974 1.00 0.00 H new ATOM 798 N GLU A 54 -7.225 12.850 0.565 1.00 0.00 N ATOM 799 CA GLU A 54 -6.248 12.853 -0.512 1.00 0.00 C ATOM 800 C GLU A 54 -6.381 11.587 -1.353 1.00 0.00 C ATOM 801 O GLU A 54 -5.987 11.563 -2.519 1.00 0.00 O ATOM 802 CB GLU A 54 -4.829 12.987 0.057 1.00 0.00 C ATOM 803 CG GLU A 54 -4.081 11.670 0.197 1.00 0.00 C ATOM 804 CD GLU A 54 -2.886 11.583 -0.728 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.829 12.156 -0.390 1.00 0.00 O ATOM 806 OE2 GLU A 54 -3.006 10.943 -1.793 1.00 0.00 O ATOM 0 H GLU A 54 -6.851 12.580 1.475 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.439 13.711 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.253 13.651 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.887 13.464 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.748 11.552 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.761 10.845 -0.014 1.00 0.00 H new ATOM 813 N LEU A 55 -6.956 10.541 -0.759 1.00 0.00 N ATOM 814 CA LEU A 55 -7.154 9.281 -1.464 1.00 0.00 C ATOM 815 C LEU A 55 -8.102 9.474 -2.639 1.00 0.00 C ATOM 816 O LEU A 55 -7.812 9.047 -3.756 1.00 0.00 O ATOM 817 CB LEU A 55 -7.673 8.196 -0.504 1.00 0.00 C ATOM 818 CG LEU A 55 -9.199 8.084 -0.345 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.822 7.281 -1.477 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.540 7.443 0.988 1.00 0.00 C ATOM 0 H LEU A 55 -7.291 10.544 0.205 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.193 8.947 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.295 7.232 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.241 8.378 0.480 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.610 9.093 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.901 7.223 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.610 7.769 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.402 6.275 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.623 7.369 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.102 6.446 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.140 8.053 1.798 1.00 0.00 H new ATOM 832 N LEU A 56 -9.224 10.138 -2.391 1.00 0.00 N ATOM 833 CA LEU A 56 -10.196 10.389 -3.448 1.00 0.00 C ATOM 834 C LEU A 56 -9.567 11.230 -4.556 1.00 0.00 C ATOM 835 O LEU A 56 -9.749 10.952 -5.742 1.00 0.00 O ATOM 836 CB LEU A 56 -11.445 11.081 -2.896 1.00 0.00 C ATOM 837 CG LEU A 56 -11.201 12.426 -2.214 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.559 13.570 -3.151 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.000 12.521 -0.922 1.00 0.00 C ATOM 0 H LEU A 56 -9.482 10.509 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.500 9.429 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.149 11.230 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.925 10.412 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.142 12.502 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.379 14.521 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.944 13.511 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.611 13.499 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.814 13.485 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.063 12.424 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.696 11.721 -0.247 1.00 0.00 H new ATOM 851 N HIS A 57 -8.784 12.231 -4.164 1.00 0.00 N ATOM 852 CA HIS A 57 -8.107 13.087 -5.132 1.00 0.00 C ATOM 853 C HIS A 57 -7.081 12.293 -5.940 1.00 0.00 C ATOM 854 O HIS A 57 -6.570 12.776 -6.951 1.00 0.00 O ATOM 855 CB HIS A 57 -7.418 14.251 -4.416 1.00 0.00 C ATOM 856 CG HIS A 57 -7.883 15.598 -4.875 1.00 0.00 C ATOM 857 ND1 HIS A 57 -9.152 15.787 -5.371 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.219 16.779 -4.895 1.00 0.00 C ATOM 859 CE1 HIS A 57 -9.232 17.068 -5.679 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.085 17.708 -5.408 1.00 0.00 N ATOM 0 H HIS A 57 -8.603 12.468 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.856 13.481 -5.819 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.593 14.162 -3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.342 14.176 -4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.204 16.954 -4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.109 17.540 -6.096 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.894 18.699 -5.556 1.00 0.00 H new ATOM 868 N MET A 58 -6.772 11.082 -5.480 1.00 0.00 N ATOM 869 CA MET A 58 -5.796 10.232 -6.160 1.00 0.00 C ATOM 870 C MET A 58 -6.387 9.596 -7.413 1.00 0.00 C ATOM 871 O MET A 58 -5.852 9.768 -8.508 1.00 0.00 O ATOM 872 CB MET A 58 -5.272 9.149 -5.218 1.00 0.00 C ATOM 873 CG MET A 58 -4.305 9.681 -4.178 1.00 0.00 C ATOM 874 SD MET A 58 -2.640 9.899 -4.825 1.00 0.00 S ATOM 875 CE MET A 58 -2.701 11.619 -5.326 1.00 0.00 C ATOM 0 H MET A 58 -7.181 10.668 -4.642 1.00 0.00 H new ATOM 0 HA MET A 58 -4.964 10.868 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.115 8.676 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.776 8.375 -5.804 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.672 10.636 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.275 8.995 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.719 11.929 -5.684 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.433 11.740 -6.125 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.988 12.236 -4.475 1.00 0.00 H new ATOM 885 N LEU A 59 -7.484 8.854 -7.259 1.00 0.00 N ATOM 886 CA LEU A 59 -8.120 8.223 -8.415 1.00 0.00 C ATOM 887 C LEU A 59 -8.647 9.285 -9.370 1.00 0.00 C ATOM 888 O LEU A 59 -8.999 8.992 -10.512 1.00 0.00 O ATOM 889 CB LEU A 59 -9.220 7.225 -8.022 1.00 0.00 C ATOM 890 CG LEU A 59 -10.313 7.701 -7.061 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.774 7.857 -5.649 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.972 8.986 -7.540 1.00 0.00 C ATOM 0 H LEU A 59 -7.943 8.678 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.355 7.638 -8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.705 6.885 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.738 6.356 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.083 6.930 -7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.573 8.196 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.395 6.898 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.967 8.589 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.741 9.288 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.221 9.773 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.426 8.820 -8.517 1.00 0.00 H new ATOM 904 N GLU A 60 -8.647 10.528 -8.903 1.00 0.00 N ATOM 905 CA GLU A 60 -9.085 11.649 -9.716 1.00 0.00 C ATOM 906 C GLU A 60 -7.893 12.275 -10.442 1.00 0.00 C ATOM 907 O GLU A 60 -8.057 12.965 -11.449 1.00 0.00 O ATOM 908 CB GLU A 60 -9.789 12.688 -8.835 1.00 0.00 C ATOM 909 CG GLU A 60 -10.022 14.027 -9.515 1.00 0.00 C ATOM 910 CD GLU A 60 -11.344 14.086 -10.252 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.383 14.300 -9.593 1.00 0.00 O ATOM 912 OE2 GLU A 60 -11.343 13.917 -11.490 1.00 0.00 O ATOM 0 H GLU A 60 -8.347 10.782 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.791 11.291 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.749 12.284 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.194 12.849 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.992 14.820 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.211 14.220 -10.217 1.00 0.00 H new ATOM 919 N SER A 61 -6.693 11.996 -9.939 1.00 0.00 N ATOM 920 CA SER A 61 -5.465 12.512 -10.535 1.00 0.00 C ATOM 921 C SER A 61 -4.525 11.374 -10.916 1.00 0.00 C ATOM 922 O SER A 61 -3.673 10.982 -10.126 1.00 0.00 O ATOM 923 CB SER A 61 -4.755 13.453 -9.560 1.00 0.00 C ATOM 924 OG SER A 61 -3.995 14.426 -10.254 1.00 0.00 O ATOM 0 H SER A 61 -6.545 11.412 -9.116 1.00 0.00 H new ATOM 0 HA SER A 61 -5.736 13.061 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.491 13.947 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.102 12.877 -8.904 1.00 0.00 H new ATOM 0 HG SER A 61 -3.791 15.172 -9.652 1.00 0.00 H new ATOM 930 N PRO A 62 -4.656 10.829 -12.138 1.00 0.00 N ATOM 931 CA PRO A 62 -3.799 9.733 -12.603 1.00 0.00 C ATOM 932 C PRO A 62 -2.330 10.140 -12.674 1.00 0.00 C ATOM 933 O PRO A 62 -1.436 9.314 -12.485 1.00 0.00 O ATOM 934 CB PRO A 62 -4.337 9.415 -14.002 1.00 0.00 C ATOM 935 CG PRO A 62 -5.084 10.636 -14.419 1.00 0.00 C ATOM 936 CD PRO A 62 -5.641 11.231 -13.157 1.00 0.00 C ATOM 0 HA PRO A 62 -3.828 8.881 -11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.526 9.194 -14.695 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.989 8.541 -13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.426 11.342 -14.926 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.882 10.386 -15.118 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.730 12.315 -13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.635 10.844 -12.933 1.00 0.00 H new ATOM 944 N GLU A 63 -2.089 11.417 -12.957 1.00 0.00 N ATOM 945 CA GLU A 63 -0.731 11.939 -13.063 1.00 0.00 C ATOM 946 C GLU A 63 -0.113 12.168 -11.687 1.00 0.00 C ATOM 947 O GLU A 63 1.016 11.750 -11.425 1.00 0.00 O ATOM 948 CB GLU A 63 -0.729 13.245 -13.860 1.00 0.00 C ATOM 949 CG GLU A 63 -1.425 13.138 -15.208 1.00 0.00 C ATOM 950 CD GLU A 63 -0.554 13.615 -16.354 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.393 12.888 -16.721 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.820 14.714 -16.884 1.00 0.00 O ATOM 0 H GLU A 63 -2.819 12.111 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.128 11.196 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.216 14.021 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.302 13.563 -14.017 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.713 12.101 -15.383 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.343 13.725 -15.186 1.00 0.00 H new ATOM 959 N SER A 64 -0.860 12.832 -10.809 1.00 0.00 N ATOM 960 CA SER A 64 -0.371 13.133 -9.469 1.00 0.00 C ATOM 961 C SER A 64 -0.248 11.866 -8.633 1.00 0.00 C ATOM 962 O SER A 64 0.775 11.626 -7.991 1.00 0.00 O ATOM 963 CB SER A 64 -1.315 14.117 -8.771 1.00 0.00 C ATOM 964 OG SER A 64 -1.131 15.436 -9.258 1.00 0.00 O ATOM 0 H SER A 64 -1.803 13.170 -11.001 1.00 0.00 H new ATOM 0 HA SER A 64 0.617 13.582 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.348 13.809 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.137 14.095 -7.696 1.00 0.00 H new ATOM 0 HG SER A 64 -1.747 16.044 -8.797 1.00 0.00 H new ATOM 970 N LEU A 65 -1.296 11.056 -8.658 1.00 0.00 N ATOM 971 CA LEU A 65 -1.340 9.825 -7.888 1.00 0.00 C ATOM 972 C LEU A 65 -0.188 8.888 -8.241 1.00 0.00 C ATOM 973 O LEU A 65 0.633 8.562 -7.384 1.00 0.00 O ATOM 974 CB LEU A 65 -2.679 9.119 -8.118 1.00 0.00 C ATOM 975 CG LEU A 65 -2.610 7.594 -8.163 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.338 7.042 -6.774 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.890 7.018 -8.740 1.00 0.00 C ATOM 0 H LEU A 65 -2.135 11.233 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.237 10.088 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.367 9.412 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.103 9.476 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.789 7.298 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.291 5.954 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.389 7.432 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.139 7.344 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.821 5.930 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.735 7.315 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.034 7.395 -9.753 1.00 0.00 H new ATOM 989 N ARG A 66 -0.164 8.412 -9.485 1.00 0.00 N ATOM 990 CA ARG A 66 0.854 7.460 -9.914 1.00 0.00 C ATOM 991 C ARG A 66 2.247 7.930 -9.524 1.00 0.00 C ATOM 992 O ARG A 66 3.117 7.117 -9.225 1.00 0.00 O ATOM 993 CB ARG A 66 0.782 7.220 -11.420 1.00 0.00 C ATOM 994 CG ARG A 66 1.342 5.869 -11.834 1.00 0.00 C ATOM 995 CD ARG A 66 0.456 5.189 -12.865 1.00 0.00 C ATOM 996 NE ARG A 66 1.218 4.305 -13.742 1.00 0.00 N ATOM 997 CZ ARG A 66 2.022 4.737 -14.710 1.00 0.00 C ATOM 998 NH1 ARG A 66 2.166 6.037 -14.927 1.00 0.00 N ATOM 999 NH2 ARG A 66 2.681 3.868 -15.464 1.00 0.00 N ATOM 0 H ARG A 66 -0.835 8.670 -10.209 1.00 0.00 H new ATOM 0 HA ARG A 66 0.654 6.518 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.256 7.292 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.332 8.008 -11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.344 6.000 -12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.437 5.229 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.318 4.615 -12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.050 5.946 -13.464 1.00 0.00 H new ATOM 0 HE ARG A 66 1.129 3.298 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.660 6.709 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.783 6.365 -15.670 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.572 2.867 -15.302 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.297 4.201 -16.206 1.00 0.00 H new ATOM 1013 N SER A 67 2.447 9.243 -9.508 1.00 0.00 N ATOM 1014 CA SER A 67 3.733 9.806 -9.112 1.00 0.00 C ATOM 1015 C SER A 67 4.086 9.367 -7.694 1.00 0.00 C ATOM 1016 O SER A 67 5.202 8.913 -7.425 1.00 0.00 O ATOM 1017 CB SER A 67 3.692 11.333 -9.190 1.00 0.00 C ATOM 1018 OG SER A 67 3.875 11.782 -10.521 1.00 0.00 O ATOM 0 H SER A 67 1.741 9.934 -9.763 1.00 0.00 H new ATOM 0 HA SER A 67 4.497 9.439 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.736 11.694 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.469 11.754 -8.551 1.00 0.00 H new ATOM 0 HG SER A 67 3.007 11.828 -10.973 1.00 0.00 H new ATOM 1024 N LYS A 68 3.102 9.452 -6.805 1.00 0.00 N ATOM 1025 CA LYS A 68 3.293 9.056 -5.416 1.00 0.00 C ATOM 1026 C LYS A 68 3.555 7.563 -5.314 1.00 0.00 C ATOM 1027 O LYS A 68 4.636 7.138 -4.905 1.00 0.00 O ATOM 1028 CB LYS A 68 2.054 9.404 -4.591 1.00 0.00 C ATOM 1029 CG LYS A 68 2.163 10.728 -3.855 1.00 0.00 C ATOM 1030 CD LYS A 68 1.343 10.721 -2.577 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.139 10.880 -2.872 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.471 12.269 -3.297 1.00 0.00 N ATOM 0 H LYS A 68 2.165 9.791 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 68 4.155 9.598 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.186 9.435 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.876 8.609 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.208 10.929 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.822 11.535 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.511 9.788 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.675 11.529 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.431 10.180 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.716 10.624 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.455 12.485 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.166 12.939 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.356 12.354 -4.327 1.00 0.00 H new ATOM 1046 N VAL A 69 2.561 6.771 -5.691 1.00 0.00 N ATOM 1047 CA VAL A 69 2.674 5.324 -5.618 1.00 0.00 C ATOM 1048 C VAL A 69 3.865 4.818 -6.427 1.00 0.00 C ATOM 1049 O VAL A 69 4.368 3.722 -6.182 1.00 0.00 O ATOM 1050 CB VAL A 69 1.381 4.631 -6.081 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.558 3.122 -6.122 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.236 5.007 -5.159 1.00 0.00 C ATOM 0 H VAL A 69 1.668 7.108 -6.050 1.00 0.00 H new ATOM 0 HA VAL A 69 2.838 5.070 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 69 1.149 4.968 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.630 2.656 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.359 2.868 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.812 2.758 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.677 4.513 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.469 4.691 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.092 6.087 -5.179 1.00 0.00 H new ATOM 1062 N ASP A 70 4.341 5.632 -7.367 1.00 0.00 N ATOM 1063 CA ASP A 70 5.523 5.271 -8.140 1.00 0.00 C ATOM 1064 C ASP A 70 6.667 4.988 -7.182 1.00 0.00 C ATOM 1065 O ASP A 70 7.288 3.923 -7.222 1.00 0.00 O ATOM 1066 CB ASP A 70 5.913 6.393 -9.104 1.00 0.00 C ATOM 1067 CG ASP A 70 7.312 6.218 -9.661 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.599 5.138 -10.219 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.123 7.161 -9.539 1.00 0.00 O ATOM 0 H ASP A 70 3.931 6.534 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 70 5.303 4.383 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.199 6.425 -9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.848 7.351 -8.588 1.00 0.00 H new ATOM 1074 N GLU A 71 6.900 5.931 -6.275 1.00 0.00 N ATOM 1075 CA GLU A 71 7.924 5.760 -5.257 1.00 0.00 C ATOM 1076 C GLU A 71 7.500 4.677 -4.275 1.00 0.00 C ATOM 1077 O GLU A 71 8.339 3.985 -3.698 1.00 0.00 O ATOM 1078 CB GLU A 71 8.174 7.071 -4.514 1.00 0.00 C ATOM 1079 CG GLU A 71 9.489 7.086 -3.754 1.00 0.00 C ATOM 1080 CD GLU A 71 10.512 8.014 -4.377 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.163 9.180 -4.656 1.00 0.00 O ATOM 1082 OE2 GLU A 71 11.663 7.576 -4.585 1.00 0.00 O ATOM 0 H GLU A 71 6.395 6.816 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 71 8.851 5.461 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.165 7.894 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.356 7.247 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.306 7.392 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.895 6.075 -3.718 1.00 0.00 H new ATOM 1089 N ALA A 72 6.189 4.528 -4.103 1.00 0.00 N ATOM 1090 CA ALA A 72 5.644 3.509 -3.217 1.00 0.00 C ATOM 1091 C ALA A 72 6.104 2.124 -3.657 1.00 0.00 C ATOM 1092 O ALA A 72 6.468 1.289 -2.831 1.00 0.00 O ATOM 1093 CB ALA A 72 4.129 3.589 -3.183 1.00 0.00 C ATOM 0 H ALA A 72 5.485 5.102 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 72 6.016 3.689 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.739 2.820 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.825 4.571 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.734 3.433 -4.187 1.00 0.00 H new ATOM 1099 N VAL A 73 6.111 1.898 -4.967 1.00 0.00 N ATOM 1100 CA VAL A 73 6.589 0.638 -5.514 1.00 0.00 C ATOM 1101 C VAL A 73 8.062 0.458 -5.162 1.00 0.00 C ATOM 1102 O VAL A 73 8.528 -0.657 -4.927 1.00 0.00 O ATOM 1103 CB VAL A 73 6.410 0.575 -7.049 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.251 -0.542 -7.646 1.00 0.00 C ATOM 1105 CG2 VAL A 73 4.940 0.396 -7.415 1.00 0.00 C ATOM 0 H VAL A 73 5.792 2.570 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 73 5.997 -0.166 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 73 6.754 1.521 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.109 -0.567 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.303 -0.365 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.945 -1.496 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.838 0.354 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.567 -0.531 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.364 1.237 -7.028 1.00 0.00 H new ATOM 1115 N ALA A 74 8.776 1.578 -5.083 1.00 0.00 N ATOM 1116 CA ALA A 74 10.193 1.564 -4.743 1.00 0.00 C ATOM 1117 C ALA A 74 10.408 1.192 -3.277 1.00 0.00 C ATOM 1118 O ALA A 74 11.352 0.475 -2.947 1.00 0.00 O ATOM 1119 CB ALA A 74 10.824 2.916 -5.046 1.00 0.00 C ATOM 0 H ALA A 74 8.393 2.509 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 74 10.678 0.804 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.882 2.890 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.716 3.138 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.326 3.689 -4.461 1.00 0.00 H new ATOM 1125 N VAL A 75 9.534 1.686 -2.399 1.00 0.00 N ATOM 1126 CA VAL A 75 9.641 1.385 -0.972 1.00 0.00 C ATOM 1127 C VAL A 75 9.567 -0.120 -0.741 1.00 0.00 C ATOM 1128 O VAL A 75 10.129 -0.642 0.222 1.00 0.00 O ATOM 1129 CB VAL A 75 8.548 2.096 -0.136 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.204 3.449 -0.740 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.297 1.235 -0.002 1.00 0.00 C ATOM 0 H VAL A 75 8.751 2.291 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 75 10.608 1.762 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 75 8.950 2.254 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.434 3.931 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.095 4.076 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.835 3.311 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.552 1.766 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.892 1.026 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.552 0.297 0.491 1.00 0.00 H new ATOM 1141 N LEU A 76 8.879 -0.809 -1.646 1.00 0.00 N ATOM 1142 CA LEU A 76 8.744 -2.256 -1.568 1.00 0.00 C ATOM 1143 C LEU A 76 10.072 -2.930 -1.895 1.00 0.00 C ATOM 1144 O LEU A 76 10.526 -3.816 -1.171 1.00 0.00 O ATOM 1145 CB LEU A 76 7.652 -2.732 -2.535 1.00 0.00 C ATOM 1146 CG LEU A 76 7.388 -4.243 -2.562 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.397 -4.945 -3.459 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.414 -4.831 -1.156 1.00 0.00 C ATOM 0 H LEU A 76 8.406 -0.385 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 76 8.459 -2.530 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.722 -2.225 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.922 -2.413 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 76 6.391 -4.404 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.194 -6.016 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.316 -4.554 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.404 -4.769 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.224 -5.903 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.392 -4.657 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.645 -4.354 -0.548 1.00 0.00 H new ATOM 1160 N GLN A 77 10.684 -2.507 -2.996 1.00 0.00 N ATOM 1161 CA GLN A 77 11.961 -3.064 -3.425 1.00 0.00 C ATOM 1162 C GLN A 77 13.030 -2.846 -2.359 1.00 0.00 C ATOM 1163 O GLN A 77 13.924 -3.675 -2.184 1.00 0.00 O ATOM 1164 CB GLN A 77 12.397 -2.430 -4.747 1.00 0.00 C ATOM 1165 CG GLN A 77 11.670 -2.988 -5.961 1.00 0.00 C ATOM 1166 CD GLN A 77 12.062 -4.420 -6.272 1.00 0.00 C ATOM 1167 OE1 GLN A 77 11.769 -5.337 -5.504 1.00 0.00 O ATOM 1168 NE2 GLN A 77 12.722 -4.618 -7.406 1.00 0.00 N ATOM 0 H GLN A 77 10.315 -1.779 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 77 11.836 -4.137 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.229 -1.354 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.469 -2.580 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.595 -2.939 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.883 -2.361 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.943 -3.828 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.008 -5.560 -7.672 1.00 0.00 H new ATOM 1177 N ALA A 78 12.927 -1.728 -1.647 1.00 0.00 N ATOM 1178 CA ALA A 78 13.872 -1.407 -0.585 1.00 0.00 C ATOM 1179 C ALA A 78 13.517 -2.147 0.700 1.00 0.00 C ATOM 1180 O ALA A 78 14.355 -2.311 1.587 1.00 0.00 O ATOM 1181 CB ALA A 78 13.907 0.094 -0.342 1.00 0.00 C ATOM 0 H ALA A 78 12.197 -1.029 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 78 14.863 -1.732 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.617 0.317 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.214 0.603 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.915 0.439 -0.050 1.00 0.00 H new ATOM 1187 N HIS A 79 12.265 -2.588 0.792 1.00 0.00 N ATOM 1188 CA HIS A 79 11.793 -3.310 1.968 1.00 0.00 C ATOM 1189 C HIS A 79 12.549 -4.624 2.139 1.00 0.00 C ATOM 1190 O HIS A 79 13.235 -4.828 3.140 1.00 0.00 O ATOM 1191 CB HIS A 79 10.290 -3.581 1.859 1.00 0.00 C ATOM 1192 CG HIS A 79 9.683 -4.114 3.120 1.00 0.00 C ATOM 1193 ND1 HIS A 79 8.924 -5.260 3.121 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.750 -3.626 4.383 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.550 -5.445 4.374 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.028 -4.479 5.173 1.00 0.00 N ATOM 0 H HIS A 79 11.560 -2.458 0.066 1.00 0.00 H new ATOM 0 HA HIS A 79 11.979 -2.688 2.844 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.782 -2.657 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.115 -4.293 1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.272 -2.737 4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.938 -6.268 4.712 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.881 -4.396 6.179 1.00 0.00 H new ATOM 1538 N ASN B 5 9.932 7.070 1.431 1.00 0.00 N ATOM 1539 CA ASN B 5 10.156 8.403 0.884 1.00 0.00 C ATOM 1540 C ASN B 5 8.941 9.296 1.111 1.00 0.00 C ATOM 1541 O ASN B 5 9.070 10.435 1.563 1.00 0.00 O ATOM 1542 CB ASN B 5 10.470 8.319 -0.611 1.00 0.00 C ATOM 1543 CG ASN B 5 11.873 8.795 -0.935 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.236 9.935 -0.645 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.670 7.921 -1.538 1.00 0.00 N ATOM 0 HA ASN B 5 11.009 8.842 1.402 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.352 7.289 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.749 8.919 -1.165 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.625 8.184 -1.780 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.327 6.986 -1.760 1.00 0.00 H new ATOM 1552 N LEU B 6 7.760 8.775 0.794 1.00 0.00 N ATOM 1553 CA LEU B 6 6.521 9.526 0.963 1.00 0.00 C ATOM 1554 C LEU B 6 6.112 9.579 2.431 1.00 0.00 C ATOM 1555 O LEU B 6 6.322 10.586 3.110 1.00 0.00 O ATOM 1556 CB LEU B 6 5.396 8.893 0.142 1.00 0.00 C ATOM 1557 CG LEU B 6 5.562 8.990 -1.374 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.701 7.945 -2.065 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.204 10.386 -1.862 1.00 0.00 C ATOM 0 H LEU B 6 7.635 7.835 0.418 1.00 0.00 H new ATOM 0 HA LEU B 6 6.696 10.542 0.610 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.316 7.841 0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.455 9.367 0.419 1.00 0.00 H new ATOM 0 HG LEU B 6 6.606 8.799 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.828 8.025 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.002 6.950 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.654 8.110 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.328 10.436 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.168 10.607 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.859 11.117 -1.387 1.00 0.00 H new ATOM 1571 N ASN B 7 5.517 8.491 2.910 1.00 0.00 N ATOM 1572 CA ASN B 7 5.063 8.413 4.292 1.00 0.00 C ATOM 1573 C ASN B 7 6.221 8.111 5.239 1.00 0.00 C ATOM 1574 O ASN B 7 6.943 7.131 5.052 1.00 0.00 O ATOM 1575 CB ASN B 7 3.999 7.328 4.439 1.00 0.00 C ATOM 1576 CG ASN B 7 2.886 7.740 5.379 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.167 7.699 6.675 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.790 8.097 4.945 1.00 0.00 N flip ATOM 0 H ASN B 7 5.338 7.651 2.360 1.00 0.00 H new ATOM 0 HA ASN B 7 4.640 9.382 4.555 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.579 7.099 3.460 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.464 6.414 4.808 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.620 8.112 3.939 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.052 8.377 5.591 1.00 0.00 H new ATOM 1585 N PRO B 8 6.392 8.923 6.295 1.00 0.00 N ATOM 1586 CA PRO B 8 7.456 8.730 7.275 1.00 0.00 C ATOM 1587 C PRO B 8 7.110 7.645 8.291 1.00 0.00 C ATOM 1588 O PRO B 8 7.885 7.368 9.206 1.00 0.00 O ATOM 1589 CB PRO B 8 7.570 10.098 7.974 1.00 0.00 C ATOM 1590 CG PRO B 8 6.599 11.002 7.275 1.00 0.00 C ATOM 1591 CD PRO B 8 5.592 10.110 6.609 1.00 0.00 C ATOM 0 HA PRO B 8 8.383 8.405 6.804 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.332 10.015 9.034 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.585 10.488 7.905 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.114 11.673 7.984 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.109 11.627 6.542 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.756 9.875 7.268 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.172 10.567 5.713 1.00 0.00 H new ATOM 1599 N ASN B 9 5.931 7.048 8.133 1.00 0.00 N ATOM 1600 CA ASN B 9 5.481 5.992 9.034 1.00 0.00 C ATOM 1601 C ASN B 9 5.151 4.722 8.260 1.00 0.00 C ATOM 1602 O ASN B 9 4.077 4.148 8.420 1.00 0.00 O ATOM 1603 CB ASN B 9 4.257 6.450 9.827 1.00 0.00 C ATOM 1604 CG ASN B 9 4.487 7.767 10.542 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.615 8.098 10.908 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.418 8.527 10.743 1.00 0.00 N ATOM 0 H ASN B 9 5.271 7.278 7.390 1.00 0.00 H new ATOM 0 HA ASN B 9 6.293 5.775 9.729 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.407 6.551 9.152 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.994 5.685 10.558 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.513 9.425 11.218 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.502 8.213 10.423 1.00 0.00 H new ATOM 1613 N ALA B 10 6.064 4.316 7.391 1.00 0.00 N ATOM 1614 CA ALA B 10 5.876 3.120 6.578 1.00 0.00 C ATOM 1615 C ALA B 10 5.722 1.860 7.435 1.00 0.00 C ATOM 1616 O ALA B 10 6.714 1.271 7.865 1.00 0.00 O ATOM 1617 CB ALA B 10 7.040 2.964 5.612 1.00 0.00 C ATOM 0 H ALA B 10 6.948 4.799 7.229 1.00 0.00 H new ATOM 0 HA ALA B 10 4.950 3.243 6.016 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.894 2.069 5.008 1.00 0.00 H new ATOM 0 HB2 ALA B 10 7.092 3.837 4.961 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.970 2.874 6.174 1.00 0.00 H new ATOM 1623 N LYS B 11 4.478 1.425 7.644 1.00 0.00 N ATOM 1624 CA LYS B 11 4.213 0.198 8.402 1.00 0.00 C ATOM 1625 C LYS B 11 3.301 -0.743 7.618 1.00 0.00 C ATOM 1626 O LYS B 11 2.933 -0.459 6.481 1.00 0.00 O ATOM 1627 CB LYS B 11 3.589 0.506 9.767 1.00 0.00 C ATOM 1628 CG LYS B 11 3.010 1.902 9.887 1.00 0.00 C ATOM 1629 CD LYS B 11 3.688 2.689 10.997 1.00 0.00 C ATOM 1630 CE LYS B 11 2.731 3.674 11.652 1.00 0.00 C ATOM 1631 NZ LYS B 11 1.801 4.290 10.665 1.00 0.00 N ATOM 0 H LYS B 11 3.642 1.900 7.302 1.00 0.00 H new ATOM 0 HA LYS B 11 5.173 -0.293 8.564 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.801 -0.220 9.965 1.00 0.00 H new ATOM 0 HB3 LYS B 11 4.347 0.372 10.539 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.128 2.429 8.940 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.940 1.838 10.085 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.073 2.000 11.749 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.544 3.228 10.591 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.155 3.162 12.422 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.302 4.458 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 1.637 5.286 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.219 4.238 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 0.896 3.777 10.674 1.00 0.00 H new ATOM 1645 N GLU B 12 2.963 -1.880 8.224 1.00 0.00 N ATOM 1646 CA GLU B 12 2.103 -2.872 7.579 1.00 0.00 C ATOM 1647 C GLU B 12 0.675 -2.358 7.427 1.00 0.00 C ATOM 1648 O GLU B 12 0.341 -1.267 7.890 1.00 0.00 O ATOM 1649 CB GLU B 12 2.091 -4.171 8.390 1.00 0.00 C ATOM 1650 CG GLU B 12 3.447 -4.545 8.964 1.00 0.00 C ATOM 1651 CD GLU B 12 3.574 -6.029 9.244 1.00 0.00 C ATOM 1652 OE1 GLU B 12 2.964 -6.502 10.225 1.00 0.00 O ATOM 1653 OE2 GLU B 12 4.284 -6.718 8.480 1.00 0.00 O ATOM 0 H GLU B 12 3.272 -2.138 9.161 1.00 0.00 H new ATOM 0 HA GLU B 12 2.509 -3.062 6.586 1.00 0.00 H new ATOM 0 HB2 GLU B 12 1.375 -4.073 9.206 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.739 -4.983 7.754 1.00 0.00 H new ATOM 0 HG2 GLU B 12 4.228 -4.243 8.266 1.00 0.00 H new ATOM 0 HG3 GLU B 12 3.612 -3.990 9.887 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.171 -3.169 6.792 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.577 -2.826 6.611 1.00 0.00 C ATOM 1662 C PHE B 13 -2.411 -3.418 7.741 1.00 0.00 C ATOM 1663 O PHE B 13 -2.560 -4.635 7.843 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.093 -3.344 5.260 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.430 -2.778 4.832 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.222 -2.042 5.709 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.897 -2.992 3.542 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.443 -1.531 5.305 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.117 -2.481 3.135 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.889 -1.752 4.018 1.00 0.00 C ATOM 0 H PHE B 13 0.096 -4.070 6.394 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.668 -1.740 6.627 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.354 -3.114 4.492 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.173 -4.430 5.310 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.879 -1.867 6.718 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.300 -3.565 2.847 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.046 -0.960 5.996 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.465 -2.652 2.127 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.842 -1.355 3.701 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.296 3.209 10.001 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.685 4.056 8.983 1.00 0.00 C ATOM 1735 C LYS B 18 -7.232 4.354 9.339 1.00 0.00 C ATOM 1736 O LYS B 18 -6.948 5.306 10.067 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.456 5.372 8.860 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.796 5.237 8.156 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.918 5.876 8.960 1.00 0.00 C ATOM 1740 CE LYS B 18 -11.826 7.394 8.939 1.00 0.00 C ATOM 1741 NZ LYS B 18 -11.685 7.925 7.556 1.00 0.00 N ATOM 0 HA LYS B 18 -8.718 3.525 8.031 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.620 5.780 9.857 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -8.843 6.092 8.318 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.740 5.705 7.173 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.018 4.182 7.995 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.880 5.563 8.555 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.876 5.522 9.990 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.718 7.818 9.401 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.974 7.714 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -11.977 8.923 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -10.693 7.848 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.287 7.375 6.910 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.315 3.538 8.831 1.00 0.00 N ATOM 1756 CA TYR B 19 -4.897 3.729 9.110 1.00 0.00 C ATOM 1757 C TYR B 19 -4.401 5.041 8.512 1.00 0.00 C ATOM 1758 O TYR B 19 -4.563 5.291 7.318 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.077 2.556 8.564 1.00 0.00 C ATOM 1760 CG TYR B 19 -2.843 2.232 9.383 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.797 2.495 10.748 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -1.725 1.654 8.791 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.673 2.200 11.496 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.597 1.355 9.534 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.577 1.630 10.885 1.00 0.00 C ATOM 1766 OH TYR B 19 0.542 1.332 11.628 1.00 0.00 O ATOM 0 H TYR B 19 -6.526 2.743 8.228 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.768 3.771 10.192 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.713 1.672 8.518 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.773 2.783 7.542 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.655 2.938 11.232 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.738 1.435 7.734 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.654 2.415 12.554 1.00 0.00 H new ATOM 0 HE2 TYR B 19 0.264 0.908 9.058 1.00 0.00 H new ATOM 0 HH TYR B 19 0.815 0.407 11.452 1.00 0.00 H new