USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -136:sc= 0.00715 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.279 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 0.0399 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0718) USER MOD Single : A 36 SER OG : rot 180:sc= -0.916 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0466 F(o=-0.59,f=-0.047) USER MOD Single : A 66 ASN : amide:sc= -0.0596 K(o=-0.06,f=-1.7) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -6.09! (180deg=-6.33!) USER MOD Single : A 72 THR OG1 : rot -150:sc= 2.03 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.00459 X(o=0.0046,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0894 K(o=-0.089,f=-0.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.398 4.020 11.832 1.00 0.00 N ATOM 67 CA LYS A 8 3.310 3.952 10.864 1.00 0.00 C ATOM 68 C LYS A 8 3.844 3.658 9.465 1.00 0.00 C ATOM 69 O LYS A 8 3.184 3.942 8.466 1.00 0.00 O ATOM 70 CB LYS A 8 2.525 5.265 10.856 1.00 0.00 C ATOM 71 CG LYS A 8 1.059 5.095 10.494 1.00 0.00 C ATOM 72 CD LYS A 8 0.240 4.638 11.690 1.00 0.00 C ATOM 73 CE LYS A 8 -1.237 4.952 11.505 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.088 4.205 12.473 1.00 0.00 N ATOM 0 HA LYS A 8 2.645 3.140 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.596 5.727 11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.988 5.951 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.663 6.039 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.964 4.368 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.370 3.565 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.607 5.127 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.399 6.023 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.537 4.700 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.087 4.446 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.953 3.183 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.819 4.464 13.444 1.00 0.00 H new ATOM 88 N VAL A 9 5.043 3.086 9.402 1.00 0.00 N ATOM 89 CA VAL A 9 5.664 2.751 8.126 1.00 0.00 C ATOM 90 C VAL A 9 6.377 1.406 8.199 1.00 0.00 C ATOM 91 O VAL A 9 6.318 0.713 9.215 1.00 0.00 O ATOM 92 CB VAL A 9 6.671 3.832 7.692 1.00 0.00 C ATOM 93 CG1 VAL A 9 5.956 5.142 7.399 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.739 4.024 8.758 1.00 0.00 C ATOM 0 H VAL A 9 5.603 2.845 10.220 1.00 0.00 H new ATOM 0 HA VAL A 9 4.863 2.694 7.388 1.00 0.00 H new ATOM 0 HB VAL A 9 7.160 3.501 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.684 5.894 7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.233 4.991 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.438 5.482 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.442 4.792 8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.269 4.332 9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.272 3.086 8.912 1.00 0.00 H new ATOM 104 N LYS A 10 7.054 1.042 7.115 1.00 0.00 N ATOM 105 CA LYS A 10 7.782 -0.219 7.054 1.00 0.00 C ATOM 106 C LYS A 10 8.651 -0.287 5.802 1.00 0.00 C ATOM 107 O LYS A 10 8.218 0.093 4.714 1.00 0.00 O ATOM 108 CB LYS A 10 6.805 -1.397 7.074 1.00 0.00 C ATOM 109 CG LYS A 10 7.408 -2.678 7.626 1.00 0.00 C ATOM 110 CD LYS A 10 6.334 -3.624 8.137 1.00 0.00 C ATOM 111 CE LYS A 10 6.926 -4.958 8.566 1.00 0.00 C ATOM 112 NZ LYS A 10 7.523 -4.887 9.929 1.00 0.00 N ATOM 0 H LYS A 10 7.113 1.604 6.266 1.00 0.00 H new ATOM 0 HA LYS A 10 8.431 -0.277 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.935 -1.127 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.449 -1.580 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.990 -3.172 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.098 -2.438 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.816 -3.167 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.591 -3.788 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.149 -5.722 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.689 -5.264 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.443 -5.372 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.656 -3.891 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.887 -5.348 10.611 1.00 0.00 H new ATOM 126 N SER A 11 9.877 -0.774 5.964 1.00 0.00 N ATOM 127 CA SER A 11 10.807 -0.889 4.846 1.00 0.00 C ATOM 128 C SER A 11 11.750 -2.072 5.044 1.00 0.00 C ATOM 129 O SER A 11 12.443 -2.166 6.056 1.00 0.00 O ATOM 130 CB SER A 11 11.615 0.401 4.693 1.00 0.00 C ATOM 131 OG SER A 11 10.770 1.499 4.395 1.00 0.00 O ATOM 0 H SER A 11 10.249 -1.095 6.858 1.00 0.00 H new ATOM 0 HA SER A 11 10.227 -1.056 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.165 0.600 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.353 0.280 3.900 1.00 0.00 H new ATOM 0 HG SER A 11 11.310 2.312 4.304 1.00 0.00 H new ATOM 137 N GLY A 12 11.769 -2.975 4.068 1.00 0.00 N ATOM 138 CA GLY A 12 12.629 -4.141 4.153 1.00 0.00 C ATOM 139 C GLY A 12 12.675 -4.923 2.855 1.00 0.00 C ATOM 140 O GLY A 12 11.974 -4.593 1.899 1.00 0.00 O ATOM 0 H GLY A 12 11.204 -2.920 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.638 -3.826 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.276 -4.791 4.953 1.00 0.00 H new ATOM 144 N TRP A 13 13.503 -5.961 2.821 1.00 0.00 N ATOM 145 CA TRP A 13 13.639 -6.791 1.629 1.00 0.00 C ATOM 146 C TRP A 13 12.406 -7.666 1.432 1.00 0.00 C ATOM 147 O TRP A 13 12.152 -8.583 2.213 1.00 0.00 O ATOM 148 CB TRP A 13 14.889 -7.666 1.732 1.00 0.00 C ATOM 149 CG TRP A 13 16.165 -6.905 1.533 1.00 0.00 C ATOM 150 CD1 TRP A 13 17.001 -6.436 2.506 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.749 -6.523 0.283 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.068 -5.786 1.936 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.938 -5.826 0.573 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.384 -6.704 -1.054 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.761 -5.311 -0.424 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.201 -6.191 -2.043 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.379 -5.502 -1.724 1.00 0.00 C ATOM 0 H TRP A 13 14.090 -6.248 3.604 1.00 0.00 H new ATOM 0 HA TRP A 13 13.736 -6.132 0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.909 -8.145 2.711 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.829 -8.461 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.846 -6.558 3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.834 -5.345 2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.479 -7.236 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.669 -4.779 -0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.927 -6.323 -3.079 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.997 -5.114 -2.520 1.00 0.00 H new ATOM 168 N LEU A 14 11.643 -7.377 0.384 1.00 0.00 N ATOM 169 CA LEU A 14 10.435 -8.139 0.083 1.00 0.00 C ATOM 170 C LEU A 14 10.526 -8.781 -1.297 1.00 0.00 C ATOM 171 O LEU A 14 10.875 -8.122 -2.277 1.00 0.00 O ATOM 172 CB LEU A 14 9.205 -7.232 0.157 1.00 0.00 C ATOM 173 CG LEU A 14 8.949 -6.558 1.505 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.878 -5.486 1.371 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.546 -7.589 2.549 1.00 0.00 C ATOM 0 H LEU A 14 11.839 -6.621 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 14 10.340 -8.931 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.304 -6.456 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.327 -7.822 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 14 9.873 -6.081 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.709 -5.017 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.206 -4.732 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.951 -5.940 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.368 -7.091 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.635 -8.095 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.346 -8.320 2.666 1.00 0.00 H new ATOM 187 N ASP A 15 10.207 -10.068 -1.367 1.00 0.00 N ATOM 188 CA ASP A 15 10.249 -10.799 -2.628 1.00 0.00 C ATOM 189 C ASP A 15 9.063 -10.426 -3.513 1.00 0.00 C ATOM 190 O ASP A 15 7.924 -10.798 -3.232 1.00 0.00 O ATOM 191 CB ASP A 15 10.253 -12.306 -2.369 1.00 0.00 C ATOM 192 CG ASP A 15 11.652 -12.856 -2.170 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.545 -12.507 -2.969 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.853 -13.636 -1.215 1.00 0.00 O ATOM 0 H ASP A 15 9.916 -10.627 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 15 11.167 -10.525 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.652 -12.521 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.781 -12.817 -3.208 1.00 0.00 H new ATOM 199 N LYS A 16 9.339 -9.687 -4.582 1.00 0.00 N ATOM 200 CA LYS A 16 8.296 -9.262 -5.508 1.00 0.00 C ATOM 201 C LYS A 16 8.099 -10.293 -6.615 1.00 0.00 C ATOM 202 O LYS A 16 9.002 -11.073 -6.919 1.00 0.00 O ATOM 203 CB LYS A 16 8.650 -7.904 -6.119 1.00 0.00 C ATOM 204 CG LYS A 16 7.507 -7.267 -6.890 1.00 0.00 C ATOM 205 CD LYS A 16 7.790 -5.807 -7.202 1.00 0.00 C ATOM 206 CE LYS A 16 6.873 -5.284 -8.297 1.00 0.00 C ATOM 207 NZ LYS A 16 7.379 -5.626 -9.655 1.00 0.00 N ATOM 0 H LYS A 16 10.277 -9.370 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 16 7.364 -9.171 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.962 -7.227 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.503 -8.027 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.344 -7.814 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.588 -7.344 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.659 -5.209 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.829 -5.695 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.875 -5.702 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.780 -4.202 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.726 -5.252 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.321 -5.206 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.444 -6.660 -9.751 1.00 0.00 H new ATOM 221 N LEU A 17 6.913 -10.290 -7.215 1.00 0.00 N ATOM 222 CA LEU A 17 6.598 -11.225 -8.290 1.00 0.00 C ATOM 223 C LEU A 17 7.440 -10.935 -9.528 1.00 0.00 C ATOM 224 O LEU A 17 7.850 -9.798 -9.760 1.00 0.00 O ATOM 225 CB LEU A 17 5.111 -11.146 -8.641 1.00 0.00 C ATOM 226 CG LEU A 17 4.676 -9.924 -9.451 1.00 0.00 C ATOM 227 CD1 LEU A 17 3.415 -10.231 -10.244 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.456 -8.728 -8.536 1.00 0.00 C ATOM 0 H LEU A 17 6.155 -9.651 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 17 6.831 -12.232 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.842 -12.042 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.538 -11.165 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 17 5.471 -9.676 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.120 -9.350 -10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.607 -11.058 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.612 -10.505 -9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.147 -7.868 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.680 -8.965 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.384 -8.494 -8.014 1.00 0.00 H new ATOM 372 N GLN A 26 11.632 -11.565 -7.719 1.00 0.00 N ATOM 373 CA GLN A 26 12.718 -10.595 -7.643 1.00 0.00 C ATOM 374 C GLN A 26 12.812 -9.991 -6.245 1.00 0.00 C ATOM 375 O GLN A 26 11.817 -9.528 -5.689 1.00 0.00 O ATOM 376 CB GLN A 26 12.513 -9.486 -8.677 1.00 0.00 C ATOM 377 CG GLN A 26 12.751 -9.939 -10.109 1.00 0.00 C ATOM 378 CD GLN A 26 13.072 -8.786 -11.040 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.225 -8.587 -11.423 1.00 0.00 O ATOM 380 NE2 GLN A 26 12.053 -8.020 -11.408 1.00 0.00 N ATOM 0 HA GLN A 26 13.651 -11.115 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.496 -9.103 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.186 -8.659 -8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.572 -10.656 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.865 -10.460 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.114 -8.222 -11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.209 -7.229 -12.033 1.00 0.00 H new ATOM 389 N LYS A 27 14.016 -10.001 -5.683 1.00 0.00 N ATOM 390 CA LYS A 27 14.242 -9.454 -4.350 1.00 0.00 C ATOM 391 C LYS A 27 14.663 -7.989 -4.427 1.00 0.00 C ATOM 392 O LYS A 27 15.842 -7.681 -4.599 1.00 0.00 O ATOM 393 CB LYS A 27 15.314 -10.265 -3.618 1.00 0.00 C ATOM 394 CG LYS A 27 15.638 -9.734 -2.233 1.00 0.00 C ATOM 395 CD LYS A 27 16.479 -10.722 -1.440 1.00 0.00 C ATOM 396 CE LYS A 27 17.155 -10.051 -0.254 1.00 0.00 C ATOM 397 NZ LYS A 27 18.472 -9.464 -0.626 1.00 0.00 N ATOM 0 H LYS A 27 14.850 -10.382 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 27 13.306 -9.517 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.980 -11.299 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.224 -10.272 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.172 -8.788 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.712 -9.529 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.848 -11.538 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.235 -11.162 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.506 -9.268 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.295 -10.780 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.173 -9.691 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.783 -9.859 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.381 -8.431 -0.710 1.00 0.00 H new ATOM 411 N ARG A 28 13.692 -7.092 -4.298 1.00 0.00 N ATOM 412 CA ARG A 28 13.962 -5.660 -4.353 1.00 0.00 C ATOM 413 C ARG A 28 13.581 -4.984 -3.039 1.00 0.00 C ATOM 414 O ARG A 28 12.715 -5.468 -2.309 1.00 0.00 O ATOM 415 CB ARG A 28 13.195 -5.019 -5.510 1.00 0.00 C ATOM 416 CG ARG A 28 13.965 -5.009 -6.821 1.00 0.00 C ATOM 417 CD ARG A 28 13.696 -6.265 -7.634 1.00 0.00 C ATOM 418 NE ARG A 28 14.640 -7.335 -7.319 1.00 0.00 N ATOM 419 CZ ARG A 28 15.837 -7.447 -7.882 1.00 0.00 C ATOM 420 NH1 ARG A 28 16.236 -6.560 -8.784 1.00 0.00 N ATOM 421 NH2 ARG A 28 16.640 -8.448 -7.544 1.00 0.00 N ATOM 0 H ARG A 28 12.711 -7.331 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 28 15.031 -5.523 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.257 -5.555 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.939 -3.994 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.684 -4.131 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.033 -4.928 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.680 -6.610 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.757 -6.029 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 28 14.364 -8.034 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.622 -5.789 -9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.156 -6.649 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.338 -9.133 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.559 -8.533 -7.977 1.00 0.00 H new ATOM 435 N TRP A 29 14.232 -3.865 -2.745 1.00 0.00 N ATOM 436 CA TRP A 29 13.962 -3.123 -1.519 1.00 0.00 C ATOM 437 C TRP A 29 12.667 -2.327 -1.639 1.00 0.00 C ATOM 438 O TRP A 29 12.463 -1.598 -2.610 1.00 0.00 O ATOM 439 CB TRP A 29 15.125 -2.183 -1.199 1.00 0.00 C ATOM 440 CG TRP A 29 14.899 -1.353 0.027 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.374 -0.093 0.079 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.192 -1.723 1.379 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.324 0.342 1.381 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.819 -0.639 2.198 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.732 -2.865 1.977 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.970 -0.666 3.582 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.882 -2.889 3.351 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.501 -1.797 4.141 1.00 0.00 C ATOM 0 H TRP A 29 14.951 -3.451 -3.339 1.00 0.00 H new ATOM 0 HA TRP A 29 13.852 -3.841 -0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.033 -2.772 -1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.293 -1.523 -2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.046 0.477 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.975 1.249 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.027 -3.713 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.678 0.176 4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.300 -3.765 3.824 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.629 -1.848 5.212 1.00 0.00 H new ATOM 459 N VAL A 30 11.795 -2.470 -0.646 1.00 0.00 N ATOM 460 CA VAL A 30 10.520 -1.762 -0.641 1.00 0.00 C ATOM 461 C VAL A 30 10.430 -0.801 0.539 1.00 0.00 C ATOM 462 O VAL A 30 10.910 -1.097 1.634 1.00 0.00 O ATOM 463 CB VAL A 30 9.334 -2.743 -0.581 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.017 -1.985 -0.507 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.354 -3.677 -1.782 1.00 0.00 C ATOM 0 H VAL A 30 11.948 -3.069 0.165 1.00 0.00 H new ATOM 0 HA VAL A 30 10.468 -1.197 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 30 9.430 -3.347 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.191 -2.695 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.006 -1.362 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.910 -1.355 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.509 -4.363 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.283 -3.092 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.284 -4.246 -1.785 1.00 0.00 H new ATOM 475 N LYS A 31 9.812 0.353 0.310 1.00 0.00 N ATOM 476 CA LYS A 31 9.657 1.359 1.354 1.00 0.00 C ATOM 477 C LYS A 31 8.278 2.008 1.282 1.00 0.00 C ATOM 478 O LYS A 31 7.749 2.247 0.197 1.00 0.00 O ATOM 479 CB LYS A 31 10.744 2.429 1.225 1.00 0.00 C ATOM 480 CG LYS A 31 10.445 3.695 2.009 1.00 0.00 C ATOM 481 CD LYS A 31 9.673 4.701 1.171 1.00 0.00 C ATOM 482 CE LYS A 31 9.566 6.046 1.872 1.00 0.00 C ATOM 483 NZ LYS A 31 10.864 6.775 1.874 1.00 0.00 N ATOM 0 H LYS A 31 9.410 0.615 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 31 9.757 0.864 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.692 2.015 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.869 2.684 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.869 3.445 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.379 4.143 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.168 4.830 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.674 4.316 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.809 6.654 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.233 5.895 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.714 7.749 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.532 6.292 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.253 6.794 0.910 1.00 0.00 H new ATOM 497 N PHE A 32 7.702 2.293 2.446 1.00 0.00 N ATOM 498 CA PHE A 32 6.386 2.915 2.515 1.00 0.00 C ATOM 499 C PHE A 32 6.386 4.080 3.501 1.00 0.00 C ATOM 500 O PHE A 32 6.805 3.935 4.649 1.00 0.00 O ATOM 501 CB PHE A 32 5.332 1.885 2.925 1.00 0.00 C ATOM 502 CG PHE A 32 3.941 2.447 3.000 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.413 3.167 1.941 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.162 2.254 4.130 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.133 3.686 2.008 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.882 2.770 4.202 1.00 0.00 C ATOM 507 CZ PHE A 32 1.366 3.486 3.140 1.00 0.00 C ATOM 0 H PHE A 32 8.127 2.103 3.354 1.00 0.00 H new ATOM 0 HA PHE A 32 6.141 3.300 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.344 1.061 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.600 1.470 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.008 3.325 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.560 1.694 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.733 4.247 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.285 2.613 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.365 3.889 3.194 1.00 0.00 H new ATOM 517 N ASP A 33 5.913 5.234 3.044 1.00 0.00 N ATOM 518 CA ASP A 33 5.858 6.424 3.884 1.00 0.00 C ATOM 519 C ASP A 33 4.422 6.921 4.029 1.00 0.00 C ATOM 520 O ASP A 33 4.182 8.115 4.197 1.00 0.00 O ATOM 521 CB ASP A 33 6.736 7.530 3.298 1.00 0.00 C ATOM 522 CG ASP A 33 7.110 8.579 4.327 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.999 8.289 5.536 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.513 9.690 3.923 1.00 0.00 O ATOM 0 H ASP A 33 5.562 5.370 2.096 1.00 0.00 H new ATOM 0 HA ASP A 33 6.234 6.158 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.644 7.089 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.210 8.008 2.471 1.00 0.00 H new ATOM 529 N GLY A 34 3.471 5.994 3.963 1.00 0.00 N ATOM 530 CA GLY A 34 2.072 6.357 4.087 1.00 0.00 C ATOM 531 C GLY A 34 1.491 6.880 2.788 1.00 0.00 C ATOM 532 O GLY A 34 0.331 6.618 2.468 1.00 0.00 O ATOM 0 H GLY A 34 3.645 4.998 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.502 5.487 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.964 7.116 4.861 1.00 0.00 H new ATOM 536 N LEU A 35 2.297 7.623 2.038 1.00 0.00 N ATOM 537 CA LEU A 35 1.856 8.187 0.767 1.00 0.00 C ATOM 538 C LEU A 35 1.793 7.111 -0.312 1.00 0.00 C ATOM 539 O LEU A 35 0.713 6.753 -0.783 1.00 0.00 O ATOM 540 CB LEU A 35 2.799 9.309 0.330 1.00 0.00 C ATOM 541 CG LEU A 35 3.085 10.390 1.373 1.00 0.00 C ATOM 542 CD1 LEU A 35 4.475 10.973 1.170 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.030 11.485 1.309 1.00 0.00 C ATOM 0 H LEU A 35 3.260 7.849 2.288 1.00 0.00 H new ATOM 0 HA LEU A 35 0.855 8.596 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.747 8.863 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.377 9.788 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 35 3.046 9.933 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.661 11.741 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.219 10.182 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.543 11.415 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.249 12.246 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.036 11.939 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.048 11.056 1.505 1.00 0.00 H new ATOM 555 N SER A 36 2.956 6.598 -0.699 1.00 0.00 N ATOM 556 CA SER A 36 3.033 5.564 -1.724 1.00 0.00 C ATOM 557 C SER A 36 4.135 4.559 -1.400 1.00 0.00 C ATOM 558 O SER A 36 4.908 4.751 -0.461 1.00 0.00 O ATOM 559 CB SER A 36 3.288 6.193 -3.095 1.00 0.00 C ATOM 560 OG SER A 36 2.280 7.135 -3.419 1.00 0.00 O ATOM 0 H SER A 36 3.859 6.882 -0.318 1.00 0.00 H new ATOM 0 HA SER A 36 2.079 5.037 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.262 6.682 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.320 5.413 -3.856 1.00 0.00 H new ATOM 0 HG SER A 36 2.466 7.524 -4.299 1.00 0.00 H new ATOM 566 N ILE A 37 4.199 3.488 -2.184 1.00 0.00 N ATOM 567 CA ILE A 37 5.205 2.453 -1.982 1.00 0.00 C ATOM 568 C ILE A 37 6.263 2.494 -3.079 1.00 0.00 C ATOM 569 O ILE A 37 5.995 2.142 -4.228 1.00 0.00 O ATOM 570 CB ILE A 37 4.571 1.050 -1.948 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.533 0.963 -0.828 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.645 -0.012 -1.766 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.486 -0.105 -1.056 1.00 0.00 C ATOM 0 H ILE A 37 3.566 3.315 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 37 5.675 2.653 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 37 4.068 0.871 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.043 0.765 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.039 1.929 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.181 -0.998 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.351 0.039 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.173 0.162 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.783 -0.110 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.950 0.103 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.970 -1.079 -1.128 1.00 0.00 H new ATOM 585 N SER A 38 7.468 2.925 -2.717 1.00 0.00 N ATOM 586 CA SER A 38 8.567 3.013 -3.671 1.00 0.00 C ATOM 587 C SER A 38 9.562 1.876 -3.461 1.00 0.00 C ATOM 588 O SER A 38 10.195 1.777 -2.409 1.00 0.00 O ATOM 589 CB SER A 38 9.279 4.361 -3.537 1.00 0.00 C ATOM 590 OG SER A 38 8.356 5.434 -3.605 1.00 0.00 O ATOM 0 H SER A 38 7.707 3.219 -1.770 1.00 0.00 H new ATOM 0 HA SER A 38 8.152 2.927 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.817 4.399 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.021 4.464 -4.329 1.00 0.00 H new ATOM 0 HG SER A 38 8.835 6.284 -3.515 1.00 0.00 H new ATOM 596 N TYR A 39 9.695 1.021 -4.468 1.00 0.00 N ATOM 597 CA TYR A 39 10.610 -0.111 -4.394 1.00 0.00 C ATOM 598 C TYR A 39 11.796 0.085 -5.334 1.00 0.00 C ATOM 599 O TYR A 39 11.626 0.236 -6.544 1.00 0.00 O ATOM 600 CB TYR A 39 9.879 -1.409 -4.742 1.00 0.00 C ATOM 601 CG TYR A 39 9.209 -1.382 -6.097 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.057 -0.635 -6.309 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.727 -2.105 -7.165 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.441 -0.607 -7.545 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.118 -2.082 -8.404 1.00 0.00 C ATOM 606 CZ TYR A 39 7.975 -1.333 -8.590 1.00 0.00 C ATOM 607 OH TYR A 39 7.365 -1.309 -9.823 1.00 0.00 O ATOM 0 H TYR A 39 9.180 1.090 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 39 10.985 -0.176 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.590 -2.235 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.127 -1.609 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.636 -0.066 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.621 -2.695 -7.023 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.546 -0.020 -7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.535 -2.648 -9.224 1.00 0.00 H new ATOM 0 HH TYR A 39 7.868 -1.872 -10.448 1.00 0.00 H new ATOM 617 N TYR A 40 12.998 0.081 -4.768 1.00 0.00 N ATOM 618 CA TYR A 40 14.213 0.260 -5.553 1.00 0.00 C ATOM 619 C TYR A 40 14.965 -1.059 -5.702 1.00 0.00 C ATOM 620 O TYR A 40 14.629 -2.053 -5.060 1.00 0.00 O ATOM 621 CB TYR A 40 15.119 1.305 -4.898 1.00 0.00 C ATOM 622 CG TYR A 40 14.363 2.457 -4.276 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.750 3.420 -5.069 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.262 2.584 -2.896 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.059 4.475 -4.505 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.571 3.634 -2.324 1.00 0.00 C ATOM 627 CZ TYR A 40 12.972 4.578 -3.132 1.00 0.00 C ATOM 628 OH TYR A 40 12.284 5.627 -2.566 1.00 0.00 O ATOM 0 H TYR A 40 13.157 -0.044 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 40 13.926 0.608 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.722 0.821 -4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.809 1.696 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.815 3.342 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.732 1.849 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.589 5.215 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.500 3.716 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 40 12.317 5.551 -1.590 1.00 0.00 H new ATOM 789 N GLY A 50 9.143 2.996 -10.969 1.00 0.00 N ATOM 790 CA GLY A 50 7.975 2.236 -10.563 1.00 0.00 C ATOM 791 C GLY A 50 7.516 2.584 -9.161 1.00 0.00 C ATOM 792 O GLY A 50 8.279 2.459 -8.202 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.162 2.422 -11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.202 1.171 -10.614 1.00 0.00 H new ATOM 796 N ILE A 51 6.268 3.022 -9.040 1.00 0.00 N ATOM 797 CA ILE A 51 5.709 3.390 -7.745 1.00 0.00 C ATOM 798 C ILE A 51 4.210 3.114 -7.695 1.00 0.00 C ATOM 799 O ILE A 51 3.512 3.240 -8.701 1.00 0.00 O ATOM 800 CB ILE A 51 5.957 4.876 -7.426 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.512 5.194 -5.997 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.226 5.761 -8.424 1.00 0.00 C ATOM 803 CD1 ILE A 51 5.937 6.567 -5.524 1.00 0.00 C ATOM 0 H ILE A 51 5.624 3.131 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 51 6.214 2.778 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 51 7.025 5.077 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.426 5.118 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.922 4.443 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.411 6.808 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.587 5.549 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.156 5.561 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.588 6.725 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.024 6.641 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.506 7.326 -6.176 1.00 0.00 H new ATOM 815 N ILE A 52 3.722 2.739 -6.517 1.00 0.00 N ATOM 816 CA ILE A 52 2.306 2.448 -6.335 1.00 0.00 C ATOM 817 C ILE A 52 1.662 3.436 -5.368 1.00 0.00 C ATOM 818 O ILE A 52 1.945 3.445 -4.170 1.00 0.00 O ATOM 819 CB ILE A 52 2.087 1.017 -5.810 1.00 0.00 C ATOM 820 CG1 ILE A 52 2.795 0.005 -6.714 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.601 0.707 -5.720 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.136 -1.293 -6.017 1.00 0.00 C ATOM 0 H ILE A 52 4.287 2.630 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 52 1.837 2.542 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 52 2.514 0.943 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.159 -0.209 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.711 0.453 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.463 -0.308 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.123 1.412 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.150 0.795 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.636 -1.962 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.797 -1.091 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.221 -1.763 -5.656 1.00 0.00 H new ATOM 834 N PRO A 53 0.772 4.289 -5.899 1.00 0.00 N ATOM 835 CA PRO A 53 0.067 5.295 -5.100 1.00 0.00 C ATOM 836 C PRO A 53 -0.949 4.673 -4.148 1.00 0.00 C ATOM 837 O PRO A 53 -1.842 3.937 -4.572 1.00 0.00 O ATOM 838 CB PRO A 53 -0.641 6.152 -6.153 1.00 0.00 C ATOM 839 CG PRO A 53 -0.809 5.248 -7.325 1.00 0.00 C ATOM 840 CD PRO A 53 0.386 4.335 -7.319 1.00 0.00 C ATOM 0 HA PRO A 53 0.748 5.857 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.603 6.512 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.050 7.030 -6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.735 4.679 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.860 5.818 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.137 3.345 -7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.192 4.723 -7.942 1.00 0.00 H new ATOM 848 N LEU A 54 -0.809 4.972 -2.862 1.00 0.00 N ATOM 849 CA LEU A 54 -1.716 4.442 -1.850 1.00 0.00 C ATOM 850 C LEU A 54 -3.154 4.430 -2.360 1.00 0.00 C ATOM 851 O LEU A 54 -3.910 3.497 -2.090 1.00 0.00 O ATOM 852 CB LEU A 54 -1.624 5.273 -0.569 1.00 0.00 C ATOM 853 CG LEU A 54 -2.644 4.941 0.521 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.134 3.812 1.404 1.00 0.00 C ATOM 855 CD2 LEU A 54 -2.954 6.175 1.356 1.00 0.00 C ATOM 0 H LEU A 54 -0.076 5.579 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.419 3.416 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.624 5.152 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.734 6.325 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.565 4.611 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.873 3.590 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.964 2.923 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.199 4.113 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.682 5.920 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.039 6.535 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.364 6.955 0.714 1.00 0.00 H new ATOM 867 N SER A 55 -3.523 5.471 -3.099 1.00 0.00 N ATOM 868 CA SER A 55 -4.870 5.581 -3.646 1.00 0.00 C ATOM 869 C SER A 55 -5.251 4.316 -4.409 1.00 0.00 C ATOM 870 O SER A 55 -6.341 3.774 -4.229 1.00 0.00 O ATOM 871 CB SER A 55 -4.971 6.797 -4.568 1.00 0.00 C ATOM 872 OG SER A 55 -5.202 7.982 -3.826 1.00 0.00 O ATOM 0 H SER A 55 -2.908 6.250 -3.333 1.00 0.00 H new ATOM 0 HA SER A 55 -5.564 5.706 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.051 6.898 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.780 6.649 -5.283 1.00 0.00 H new ATOM 0 HG SER A 55 -5.261 8.745 -4.438 1.00 0.00 H new ATOM 878 N ALA A 56 -4.345 3.853 -5.263 1.00 0.00 N ATOM 879 CA ALA A 56 -4.584 2.651 -6.054 1.00 0.00 C ATOM 880 C ALA A 56 -4.953 1.471 -5.161 1.00 0.00 C ATOM 881 O ALA A 56 -5.926 0.764 -5.422 1.00 0.00 O ATOM 882 CB ALA A 56 -3.359 2.319 -6.893 1.00 0.00 C ATOM 0 H ALA A 56 -3.438 4.291 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.425 2.845 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.552 1.420 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.142 3.150 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.504 2.150 -6.238 1.00 0.00 H new ATOM 888 N ILE A 57 -4.168 1.264 -4.108 1.00 0.00 N ATOM 889 CA ILE A 57 -4.413 0.170 -3.178 1.00 0.00 C ATOM 890 C ILE A 57 -5.849 0.195 -2.664 1.00 0.00 C ATOM 891 O ILE A 57 -6.209 1.035 -1.840 1.00 0.00 O ATOM 892 CB ILE A 57 -3.450 0.225 -1.977 1.00 0.00 C ATOM 893 CG1 ILE A 57 -1.998 0.210 -2.460 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.712 -0.939 -1.034 1.00 0.00 C ATOM 895 CD1 ILE A 57 -0.999 0.561 -1.380 1.00 0.00 C ATOM 0 H ILE A 57 -3.358 1.840 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.243 -0.755 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.623 1.153 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.764 -0.780 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.891 0.914 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.024 -0.886 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.738 -0.888 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.563 -1.879 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.009 0.531 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.207 1.563 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.078 -0.157 -0.564 1.00 0.00 H new ATOM 907 N SER A 58 -6.664 -0.732 -3.156 1.00 0.00 N ATOM 908 CA SER A 58 -8.062 -0.815 -2.749 1.00 0.00 C ATOM 909 C SER A 58 -8.215 -1.686 -1.506 1.00 0.00 C ATOM 910 O SER A 58 -8.972 -1.358 -0.591 1.00 0.00 O ATOM 911 CB SER A 58 -8.915 -1.377 -3.888 1.00 0.00 C ATOM 912 OG SER A 58 -9.132 -0.401 -4.892 1.00 0.00 O ATOM 0 H SER A 58 -6.381 -1.436 -3.837 1.00 0.00 H new ATOM 0 HA SER A 58 -8.405 0.192 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.421 -2.246 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.873 -1.718 -3.495 1.00 0.00 H new ATOM 0 HG SER A 58 -9.678 -0.785 -5.609 1.00 0.00 H new ATOM 918 N THR A 59 -7.490 -2.801 -1.479 1.00 0.00 N ATOM 919 CA THR A 59 -7.545 -3.721 -0.351 1.00 0.00 C ATOM 920 C THR A 59 -6.423 -4.750 -0.426 1.00 0.00 C ATOM 921 O THR A 59 -5.865 -4.998 -1.495 1.00 0.00 O ATOM 922 CB THR A 59 -8.897 -4.456 -0.290 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.095 -5.012 1.014 1.00 0.00 O ATOM 924 CG2 THR A 59 -8.959 -5.562 -1.333 1.00 0.00 C ATOM 0 H THR A 59 -6.858 -3.088 -2.226 1.00 0.00 H new ATOM 0 HA THR A 59 -7.425 -3.122 0.551 1.00 0.00 H new ATOM 0 HB THR A 59 -9.687 -3.735 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.958 -5.476 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.923 -6.067 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.838 -5.132 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.160 -6.281 -1.149 1.00 0.00 H new ATOM 932 N VAL A 60 -6.097 -5.348 0.716 1.00 0.00 N ATOM 933 CA VAL A 60 -5.042 -6.353 0.779 1.00 0.00 C ATOM 934 C VAL A 60 -5.453 -7.526 1.661 1.00 0.00 C ATOM 935 O VAL A 60 -6.145 -7.349 2.664 1.00 0.00 O ATOM 936 CB VAL A 60 -3.729 -5.755 1.317 1.00 0.00 C ATOM 937 CG1 VAL A 60 -2.635 -6.811 1.350 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.304 -4.561 0.475 1.00 0.00 C ATOM 0 H VAL A 60 -6.548 -5.154 1.610 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.881 -6.707 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.898 -5.410 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.715 -6.370 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.941 -7.632 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.464 -7.189 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.374 -4.150 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.152 -4.879 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.081 -3.797 0.508 1.00 0.00 H new ATOM 948 N ARG A 61 -5.021 -8.724 1.282 1.00 0.00 N ATOM 949 CA ARG A 61 -5.344 -9.928 2.039 1.00 0.00 C ATOM 950 C ARG A 61 -4.264 -10.990 1.859 1.00 0.00 C ATOM 951 O ARG A 61 -3.564 -11.013 0.846 1.00 0.00 O ATOM 952 CB ARG A 61 -6.700 -10.484 1.599 1.00 0.00 C ATOM 953 CG ARG A 61 -6.805 -10.717 0.100 1.00 0.00 C ATOM 954 CD ARG A 61 -8.252 -10.879 -0.338 1.00 0.00 C ATOM 955 NE ARG A 61 -8.919 -11.969 0.369 1.00 0.00 N ATOM 956 CZ ARG A 61 -10.002 -12.588 -0.089 1.00 0.00 C ATOM 957 NH1 ARG A 61 -10.536 -12.227 -1.247 1.00 0.00 N ATOM 958 NH2 ARG A 61 -10.551 -13.572 0.613 1.00 0.00 N ATOM 0 H ARG A 61 -4.446 -8.887 0.455 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.393 -9.661 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.883 -11.425 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.484 -9.792 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.354 -9.879 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.239 -11.608 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.791 -9.948 -0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.287 -11.068 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.532 -12.272 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.116 -11.472 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.367 -12.704 -1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.142 -13.853 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.382 -14.047 0.261 1.00 0.00 H new ATOM 972 N VAL A 62 -4.133 -11.868 2.848 1.00 0.00 N ATOM 973 CA VAL A 62 -3.138 -12.933 2.799 1.00 0.00 C ATOM 974 C VAL A 62 -3.551 -14.025 1.819 1.00 0.00 C ATOM 975 O VAL A 62 -4.638 -14.593 1.929 1.00 0.00 O ATOM 976 CB VAL A 62 -2.919 -13.560 4.188 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.451 -12.508 5.182 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.193 -14.236 4.674 1.00 0.00 C ATOM 0 H VAL A 62 -4.704 -11.863 3.693 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.205 -12.481 2.462 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.141 -14.319 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.302 -12.970 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.512 -12.075 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.204 -11.724 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.020 -14.674 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.993 -13.499 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.479 -15.020 3.973 1.00 0.00 H new ATOM 988 N GLN A 63 -2.676 -14.315 0.862 1.00 0.00 N ATOM 989 CA GLN A 63 -2.950 -15.341 -0.138 1.00 0.00 C ATOM 990 C GLN A 63 -2.250 -16.648 0.217 1.00 0.00 C ATOM 991 O GLN A 63 -1.023 -16.709 0.282 1.00 0.00 O ATOM 992 CB GLN A 63 -2.501 -14.867 -1.521 1.00 0.00 C ATOM 993 CG GLN A 63 -3.100 -15.671 -2.664 1.00 0.00 C ATOM 994 CD GLN A 63 -2.412 -15.405 -3.988 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.511 -14.172 -4.471 1.00 0.00 O flip ATOM 996 NE2 GLN A 63 -1.798 -16.299 -4.572 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.772 -13.855 0.758 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.025 -15.519 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.774 -13.819 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.414 -14.922 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.032 -16.734 -2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.160 -15.432 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.747 -17.233 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.340 -16.105 -5.463 1.00 0.00 H new ATOM 1005 N GLY A 64 -3.039 -17.694 0.446 1.00 0.00 N ATOM 1006 CA GLY A 64 -2.477 -18.986 0.792 1.00 0.00 C ATOM 1007 C GLY A 64 -1.177 -18.865 1.562 1.00 0.00 C ATOM 1008 O GLY A 64 -1.183 -18.631 2.770 1.00 0.00 O ATOM 0 H GLY A 64 -4.058 -17.669 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.198 -19.545 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.304 -19.559 -0.119 1.00 0.00 H new ATOM 1012 N ASP A 65 -0.060 -19.027 0.862 1.00 0.00 N ATOM 1013 CA ASP A 65 1.254 -18.936 1.487 1.00 0.00 C ATOM 1014 C ASP A 65 1.387 -17.644 2.287 1.00 0.00 C ATOM 1015 O ASP A 65 0.423 -16.893 2.436 1.00 0.00 O ATOM 1016 CB ASP A 65 2.354 -19.008 0.426 1.00 0.00 C ATOM 1017 CG ASP A 65 1.925 -18.399 -0.895 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.418 -17.258 -0.884 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.095 -19.064 -1.938 1.00 0.00 O ATOM 0 H ASP A 65 -0.038 -19.222 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 65 1.363 -19.779 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.241 -18.490 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.635 -20.049 0.268 1.00 0.00 H new ATOM 1024 N ASN A 66 2.586 -17.392 2.801 1.00 0.00 N ATOM 1025 CA ASN A 66 2.844 -16.191 3.588 1.00 0.00 C ATOM 1026 C ASN A 66 2.946 -14.963 2.688 1.00 0.00 C ATOM 1027 O ASN A 66 3.878 -14.168 2.808 1.00 0.00 O ATOM 1028 CB ASN A 66 4.133 -16.353 4.396 1.00 0.00 C ATOM 1029 CG ASN A 66 4.041 -17.477 5.411 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.023 -18.163 5.504 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.108 -17.670 6.177 1.00 0.00 N ATOM 0 H ASN A 66 3.395 -18.003 2.687 1.00 0.00 H new ATOM 0 HA ASN A 66 2.009 -16.049 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.963 -16.548 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.356 -15.419 4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.106 -18.411 6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.930 -17.077 6.065 1.00 0.00 H new ATOM 1038 N LYS A 67 1.980 -14.814 1.788 1.00 0.00 N ATOM 1039 CA LYS A 67 1.959 -13.682 0.869 1.00 0.00 C ATOM 1040 C LYS A 67 0.624 -12.947 0.942 1.00 0.00 C ATOM 1041 O LYS A 67 -0.288 -13.366 1.656 1.00 0.00 O ATOM 1042 CB LYS A 67 2.213 -14.158 -0.564 1.00 0.00 C ATOM 1043 CG LYS A 67 3.557 -14.840 -0.748 1.00 0.00 C ATOM 1044 CD LYS A 67 3.674 -15.480 -2.121 1.00 0.00 C ATOM 1045 CE LYS A 67 4.282 -14.522 -3.133 1.00 0.00 C ATOM 1046 NZ LYS A 67 3.675 -13.165 -3.047 1.00 0.00 N ATOM 0 H LYS A 67 1.201 -15.463 1.675 1.00 0.00 H new ATOM 0 HA LYS A 67 2.750 -12.992 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.421 -14.849 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.153 -13.303 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.357 -14.111 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.688 -15.601 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.288 -16.378 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.688 -15.794 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.357 -14.450 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.142 -14.919 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.068 -12.561 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.644 -13.238 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.889 -12.747 -2.119 1.00 0.00 H new ATOM 1060 N PHE A 68 0.516 -11.851 0.199 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.708 -11.058 0.180 1.00 0.00 C ATOM 1062 C PHE A 68 -0.914 -10.409 -1.186 1.00 0.00 C ATOM 1063 O PHE A 68 0.046 -10.016 -1.848 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.661 -9.983 1.267 1.00 0.00 C ATOM 1065 CG PHE A 68 0.529 -9.073 1.159 1.00 0.00 C ATOM 1066 CD1 PHE A 68 0.487 -7.949 0.350 1.00 0.00 C ATOM 1067 CD2 PHE A 68 1.689 -9.341 1.867 1.00 0.00 C ATOM 1068 CE1 PHE A 68 1.581 -7.110 0.248 1.00 0.00 C ATOM 1069 CE2 PHE A 68 2.786 -8.506 1.770 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.731 -7.388 0.960 1.00 0.00 C ATOM 0 H PHE A 68 1.261 -11.491 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.547 -11.725 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.571 -9.385 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.652 -10.466 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.411 -7.726 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.737 -10.213 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.536 -6.238 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.685 -8.727 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.586 -6.733 0.884 1.00 0.00 H new ATOM 1080 N GLU A 69 -2.172 -10.301 -1.599 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.504 -9.701 -2.886 1.00 0.00 C ATOM 1082 C GLU A 69 -2.974 -8.259 -2.709 1.00 0.00 C ATOM 1083 O GLU A 69 -4.025 -8.005 -2.121 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.588 -10.519 -3.592 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.556 -10.393 -5.106 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.280 -11.531 -5.800 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.527 -11.498 -5.849 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -3.599 -12.453 -6.295 1.00 0.00 O ATOM 0 H GLU A 69 -2.978 -10.621 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.603 -9.699 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.474 -11.569 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.565 -10.200 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.010 -9.446 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.520 -10.367 -5.443 1.00 0.00 H new ATOM 1095 N VAL A 70 -2.186 -7.319 -3.222 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.520 -5.904 -3.122 1.00 0.00 C ATOM 1097 C VAL A 70 -3.332 -5.444 -4.328 1.00 0.00 C ATOM 1098 O VAL A 70 -2.781 -5.177 -5.396 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.254 -5.035 -3.008 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.616 -3.558 -3.025 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.477 -5.388 -1.749 1.00 0.00 C ATOM 0 H VAL A 70 -1.312 -7.513 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.117 -5.783 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.617 -5.238 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.708 -2.960 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.125 -3.319 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.274 -3.335 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.415 -4.764 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.104 -5.216 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.184 -6.437 -1.785 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.646 -5.354 -4.150 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.535 -4.924 -5.224 1.00 0.00 C ATOM 1113 C VAL A 71 -5.309 -3.457 -5.571 1.00 0.00 C ATOM 1114 O VAL A 71 -5.200 -2.607 -4.686 1.00 0.00 O ATOM 1115 CB VAL A 71 -7.013 -5.128 -4.843 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.925 -4.633 -5.956 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -7.286 -6.592 -4.531 1.00 0.00 C ATOM 0 H VAL A 71 -5.119 -5.573 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.302 -5.539 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.223 -4.544 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.965 -4.785 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.747 -3.571 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.716 -5.187 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.335 -6.718 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.060 -7.199 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.659 -6.910 -3.698 1.00 0.00 H new ATOM 1127 N THR A 72 -5.239 -3.165 -6.866 1.00 0.00 N ATOM 1128 CA THR A 72 -5.025 -1.801 -7.331 1.00 0.00 C ATOM 1129 C THR A 72 -5.774 -1.540 -8.633 1.00 0.00 C ATOM 1130 O THR A 72 -6.135 -2.472 -9.352 1.00 0.00 O ATOM 1131 CB THR A 72 -3.528 -1.509 -7.547 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.987 -2.413 -8.517 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.758 -1.638 -6.241 1.00 0.00 C ATOM 0 H THR A 72 -5.328 -3.856 -7.611 1.00 0.00 H new ATOM 0 HA THR A 72 -5.409 -1.139 -6.555 1.00 0.00 H new ATOM 0 HB THR A 72 -3.429 -0.486 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.040 -2.572 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.703 -1.427 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.153 -0.928 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.866 -2.651 -5.854 1.00 0.00 H new ATOM 1141 N THR A 73 -6.006 -0.265 -8.932 1.00 0.00 N ATOM 1142 CA THR A 73 -6.713 0.118 -10.147 1.00 0.00 C ATOM 1143 C THR A 73 -5.932 -0.290 -11.390 1.00 0.00 C ATOM 1144 O THR A 73 -6.490 -0.864 -12.325 1.00 0.00 O ATOM 1145 CB THR A 73 -6.971 1.636 -10.192 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.571 2.068 -8.966 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.875 1.998 -11.360 1.00 0.00 C ATOM 0 H THR A 73 -5.714 0.519 -8.349 1.00 0.00 H new ATOM 0 HA THR A 73 -7.669 -0.406 -10.134 1.00 0.00 H new ATOM 0 HB THR A 73 -6.014 2.140 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.730 3.034 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.042 3.075 -11.370 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.402 1.695 -12.294 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.830 1.483 -11.254 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.637 0.009 -11.394 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.779 -0.328 -12.524 1.00 0.00 C ATOM 1157 C GLN A 74 -3.806 -1.828 -12.800 1.00 0.00 C ATOM 1158 O GLN A 74 -4.271 -2.267 -13.852 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.343 0.127 -12.255 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.160 1.634 -12.326 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.711 2.037 -12.520 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -0.065 2.537 -11.599 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -0.192 1.822 -13.724 1.00 0.00 N ATOM 0 H GLN A 74 -4.159 0.484 -10.628 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.159 0.192 -13.404 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.039 -0.222 -11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.679 -0.346 -12.979 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.757 2.030 -13.148 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.539 2.086 -11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.764 1.405 -14.459 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.778 2.074 -13.914 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.304 -2.609 -11.849 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.270 -4.059 -11.990 1.00 0.00 C ATOM 1174 C ARG A 75 -2.840 -4.723 -10.685 1.00 0.00 C ATOM 1175 O ARG A 75 -1.747 -4.470 -10.178 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.316 -4.460 -13.117 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.899 -3.946 -12.927 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.048 -4.189 -14.164 1.00 0.00 C ATOM 1179 NE ARG A 75 0.473 -5.553 -14.211 1.00 0.00 N ATOM 1180 CZ ARG A 75 1.025 -6.092 -15.292 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.128 -5.386 -16.410 1.00 0.00 N ATOM 1182 NH2 ARG A 75 1.476 -7.339 -15.256 1.00 0.00 N ATOM 0 H ARG A 75 -2.915 -2.261 -10.972 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.276 -4.399 -12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.292 -5.547 -13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.706 -4.084 -14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.924 -2.879 -12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.444 -4.439 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.643 -3.997 -15.057 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.782 -3.483 -14.177 1.00 0.00 H new ATOM 0 HE ARG A 75 0.409 -6.123 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.783 -4.427 -16.441 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.552 -5.802 -17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.399 -7.885 -14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.900 -7.752 -16.087 1.00 0.00 H new ATOM 1196 N THR A 76 -3.708 -5.573 -10.145 1.00 0.00 N ATOM 1197 CA THR A 76 -3.420 -6.271 -8.899 1.00 0.00 C ATOM 1198 C THR A 76 -1.940 -6.625 -8.796 1.00 0.00 C ATOM 1199 O THR A 76 -1.322 -7.043 -9.776 1.00 0.00 O ATOM 1200 CB THR A 76 -4.254 -7.560 -8.771 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.650 -7.248 -8.839 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.951 -8.272 -7.462 1.00 0.00 C ATOM 0 H THR A 76 -4.617 -5.794 -10.552 1.00 0.00 H new ATOM 0 HA THR A 76 -3.686 -5.593 -8.088 1.00 0.00 H new ATOM 0 HB THR A 76 -3.990 -8.222 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.174 -8.072 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.551 -9.179 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.893 -8.533 -7.426 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.191 -7.615 -6.626 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.377 -6.456 -7.605 1.00 0.00 N ATOM 1211 CA PHE A 77 0.031 -6.757 -7.374 1.00 0.00 C ATOM 1212 C PHE A 77 0.189 -7.823 -6.294 1.00 0.00 C ATOM 1213 O PHE A 77 -0.746 -8.109 -5.546 1.00 0.00 O ATOM 1214 CB PHE A 77 0.786 -5.489 -6.971 1.00 0.00 C ATOM 1215 CG PHE A 77 0.824 -4.445 -8.049 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.733 -4.538 -9.091 1.00 0.00 C ATOM 1217 CD2 PHE A 77 -0.051 -3.370 -8.023 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.770 -3.578 -10.084 1.00 0.00 C ATOM 1219 CE2 PHE A 77 -0.019 -2.407 -9.014 1.00 0.00 C ATOM 1220 CZ PHE A 77 0.893 -2.512 -10.046 1.00 0.00 C ATOM 0 H PHE A 77 -1.874 -6.112 -6.784 1.00 0.00 H new ATOM 0 HA PHE A 77 0.452 -7.142 -8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.319 -5.065 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.807 -5.755 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.420 -5.370 -9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.766 -3.284 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.485 -3.661 -10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.706 -1.574 -8.981 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.920 -1.761 -10.822 1.00 0.00 H new ATOM 1230 N VAL A 78 1.380 -8.408 -6.218 1.00 0.00 N ATOM 1231 CA VAL A 78 1.663 -9.441 -5.229 1.00 0.00 C ATOM 1232 C VAL A 78 3.034 -9.235 -4.595 1.00 0.00 C ATOM 1233 O VAL A 78 4.015 -8.962 -5.287 1.00 0.00 O ATOM 1234 CB VAL A 78 1.605 -10.847 -5.856 1.00 0.00 C ATOM 1235 CG1 VAL A 78 1.793 -11.915 -4.789 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.292 -11.047 -6.596 1.00 0.00 C ATOM 0 H VAL A 78 2.165 -8.184 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 78 0.895 -9.362 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 78 2.418 -10.939 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.749 -12.902 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.762 -11.782 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.003 -11.827 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.269 -12.046 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.539 -10.936 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.204 -10.303 -7.388 1.00 0.00 H new ATOM 1246 N PHE A 79 3.095 -9.368 -3.274 1.00 0.00 N ATOM 1247 CA PHE A 79 4.346 -9.195 -2.546 1.00 0.00 C ATOM 1248 C PHE A 79 4.562 -10.339 -1.558 1.00 0.00 C ATOM 1249 O PHE A 79 3.610 -10.993 -1.132 1.00 0.00 O ATOM 1250 CB PHE A 79 4.348 -7.858 -1.803 1.00 0.00 C ATOM 1251 CG PHE A 79 4.592 -6.676 -2.697 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.881 -6.324 -3.066 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.534 -5.917 -3.168 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.109 -5.238 -3.890 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.756 -4.829 -3.992 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.045 -4.489 -4.352 1.00 0.00 C ATOM 0 H PHE A 79 2.293 -9.595 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 79 5.162 -9.202 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.390 -7.730 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.115 -7.883 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.717 -6.905 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.524 -6.178 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.118 -4.976 -4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.922 -4.246 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.221 -3.638 -4.994 1.00 0.00 H new ATOM 1266 N ARG A 80 5.820 -10.573 -1.199 1.00 0.00 N ATOM 1267 CA ARG A 80 6.162 -11.637 -0.264 1.00 0.00 C ATOM 1268 C ARG A 80 6.972 -11.091 0.909 1.00 0.00 C ATOM 1269 O ARG A 80 7.783 -10.180 0.746 1.00 0.00 O ATOM 1270 CB ARG A 80 6.953 -12.736 -0.976 1.00 0.00 C ATOM 1271 CG ARG A 80 7.666 -13.686 -0.027 1.00 0.00 C ATOM 1272 CD ARG A 80 6.703 -14.695 0.579 1.00 0.00 C ATOM 1273 NE ARG A 80 7.403 -15.838 1.159 1.00 0.00 N ATOM 1274 CZ ARG A 80 7.828 -16.878 0.450 1.00 0.00 C ATOM 1275 NH1 ARG A 80 7.626 -16.918 -0.860 1.00 0.00 N ATOM 1276 NH2 ARG A 80 8.457 -17.880 1.051 1.00 0.00 N ATOM 0 H ARG A 80 6.619 -10.040 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 80 5.234 -12.059 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.274 -13.309 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.688 -12.274 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.456 -14.212 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.145 -13.116 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.104 -14.208 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.013 -15.044 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 80 7.575 -15.838 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.143 -16.149 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.953 -17.718 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.615 -17.852 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.783 -18.678 0.506 1.00 0.00 H new ATOM 1290 N VAL A 81 6.745 -11.655 2.091 1.00 0.00 N ATOM 1291 CA VAL A 81 7.453 -11.226 3.291 1.00 0.00 C ATOM 1292 C VAL A 81 8.573 -12.197 3.646 1.00 0.00 C ATOM 1293 O VAL A 81 8.733 -13.235 3.005 1.00 0.00 O ATOM 1294 CB VAL A 81 6.497 -11.100 4.493 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.486 -9.989 4.256 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.796 -12.424 4.755 1.00 0.00 C ATOM 0 H VAL A 81 6.076 -12.410 2.243 1.00 0.00 H new ATOM 0 HA VAL A 81 7.881 -10.247 3.072 1.00 0.00 H new ATOM 0 HB VAL A 81 7.082 -10.843 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.819 -9.915 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.010 -9.043 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.903 -10.212 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.125 -12.318 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.222 -12.712 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.538 -13.192 4.972 1.00 0.00 H new ATOM 1306 N GLU A 82 9.345 -11.853 4.672 1.00 0.00 N ATOM 1307 CA GLU A 82 10.451 -12.696 5.112 1.00 0.00 C ATOM 1308 C GLU A 82 10.126 -13.370 6.442 1.00 0.00 C ATOM 1309 O GLU A 82 10.727 -14.382 6.802 1.00 0.00 O ATOM 1310 CB GLU A 82 11.730 -11.868 5.246 1.00 0.00 C ATOM 1311 CG GLU A 82 12.937 -12.680 5.687 1.00 0.00 C ATOM 1312 CD GLU A 82 14.204 -11.850 5.755 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.676 -11.398 4.692 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.724 -11.654 6.874 1.00 0.00 O ATOM 0 H GLU A 82 9.225 -10.997 5.214 1.00 0.00 H new ATOM 0 HA GLU A 82 10.605 -13.470 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.950 -11.397 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.560 -11.066 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.739 -13.116 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.086 -13.508 4.994 1.00 0.00 H new ATOM 1321 N LYS A 83 9.171 -12.800 7.169 1.00 0.00 N ATOM 1322 CA LYS A 83 8.764 -13.343 8.459 1.00 0.00 C ATOM 1323 C LYS A 83 7.244 -13.366 8.585 1.00 0.00 C ATOM 1324 O LYS A 83 6.546 -12.593 7.929 1.00 0.00 O ATOM 1325 CB LYS A 83 9.368 -12.518 9.597 1.00 0.00 C ATOM 1326 CG LYS A 83 10.886 -12.539 9.625 1.00 0.00 C ATOM 1327 CD LYS A 83 11.451 -11.274 10.247 1.00 0.00 C ATOM 1328 CE LYS A 83 11.281 -11.272 11.759 1.00 0.00 C ATOM 1329 NZ LYS A 83 11.702 -9.978 12.363 1.00 0.00 N ATOM 0 H LYS A 83 8.664 -11.961 6.886 1.00 0.00 H new ATOM 0 HA LYS A 83 9.132 -14.367 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.029 -11.486 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.990 -12.895 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.228 -13.407 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.268 -12.648 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.509 -11.186 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.951 -10.404 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.238 -11.466 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.868 -12.082 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.571 -10.017 13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.705 -9.804 12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.125 -9.207 11.970 1.00 0.00 H new ATOM 1343 N GLU A 84 6.737 -14.257 9.432 1.00 0.00 N ATOM 1344 CA GLU A 84 5.300 -14.378 9.643 1.00 0.00 C ATOM 1345 C GLU A 84 4.704 -13.052 10.107 1.00 0.00 C ATOM 1346 O GLU A 84 3.648 -12.635 9.632 1.00 0.00 O ATOM 1347 CB GLU A 84 5.003 -15.471 10.672 1.00 0.00 C ATOM 1348 CG GLU A 84 3.523 -15.772 10.831 1.00 0.00 C ATOM 1349 CD GLU A 84 2.864 -14.918 11.896 1.00 0.00 C ATOM 1350 OE1 GLU A 84 3.373 -13.811 12.168 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.838 -15.357 12.457 1.00 0.00 O ATOM 0 H GLU A 84 7.300 -14.905 9.983 1.00 0.00 H new ATOM 0 HA GLU A 84 4.841 -14.650 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.521 -16.384 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.409 -15.169 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.019 -15.610 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.396 -16.824 11.085 1.00 0.00 H new ATOM 1358 N GLU A 85 5.389 -12.396 11.039 1.00 0.00 N ATOM 1359 CA GLU A 85 4.927 -11.118 11.568 1.00 0.00 C ATOM 1360 C GLU A 85 4.772 -10.091 10.451 1.00 0.00 C ATOM 1361 O GLU A 85 3.716 -9.476 10.302 1.00 0.00 O ATOM 1362 CB GLU A 85 5.902 -10.596 12.625 1.00 0.00 C ATOM 1363 CG GLU A 85 6.010 -11.490 13.849 1.00 0.00 C ATOM 1364 CD GLU A 85 4.656 -11.905 14.390 1.00 0.00 C ATOM 1365 OE1 GLU A 85 3.690 -11.129 14.231 1.00 0.00 O ATOM 1366 OE2 GLU A 85 4.562 -13.006 14.972 1.00 0.00 O ATOM 0 H GLU A 85 6.265 -12.728 11.443 1.00 0.00 H new ATOM 0 HA GLU A 85 3.952 -11.276 12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.889 -10.489 12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.586 -9.601 12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.584 -12.381 13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.564 -10.967 14.629 1.00 0.00 H new ATOM 1373 N GLU A 86 5.832 -9.910 9.670 1.00 0.00 N ATOM 1374 CA GLU A 86 5.814 -8.956 8.567 1.00 0.00 C ATOM 1375 C GLU A 86 4.524 -9.080 7.761 1.00 0.00 C ATOM 1376 O GLU A 86 3.907 -8.078 7.399 1.00 0.00 O ATOM 1377 CB GLU A 86 7.022 -9.175 7.654 1.00 0.00 C ATOM 1378 CG GLU A 86 8.292 -8.508 8.153 1.00 0.00 C ATOM 1379 CD GLU A 86 9.410 -8.540 7.129 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.370 -7.728 6.181 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.324 -9.377 7.276 1.00 0.00 O ATOM 0 H GLU A 86 6.714 -10.411 9.780 1.00 0.00 H new ATOM 0 HA GLU A 86 5.864 -7.952 8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.200 -10.246 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.789 -8.795 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.075 -7.473 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.625 -9.005 9.064 1.00 0.00 H new ATOM 1388 N ARG A 87 4.123 -10.316 7.484 1.00 0.00 N ATOM 1389 CA ARG A 87 2.908 -10.572 6.720 1.00 0.00 C ATOM 1390 C ARG A 87 1.732 -9.784 7.289 1.00 0.00 C ATOM 1391 O ARG A 87 0.953 -9.189 6.545 1.00 0.00 O ATOM 1392 CB ARG A 87 2.583 -12.067 6.723 1.00 0.00 C ATOM 1393 CG ARG A 87 1.265 -12.405 6.047 1.00 0.00 C ATOM 1394 CD ARG A 87 1.303 -13.787 5.413 1.00 0.00 C ATOM 1395 NE ARG A 87 1.711 -14.816 6.365 1.00 0.00 N ATOM 1396 CZ ARG A 87 0.870 -15.425 7.194 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.418 -15.111 7.186 1.00 0.00 N ATOM 1398 NH2 ARG A 87 1.318 -16.351 8.032 1.00 0.00 N ATOM 0 H ARG A 87 4.622 -11.156 7.777 1.00 0.00 H new ATOM 0 HA ARG A 87 3.079 -10.247 5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.387 -12.606 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.555 -12.422 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.458 -12.361 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.044 -11.659 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.317 -14.031 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.993 -13.780 4.569 1.00 0.00 H new ATOM 0 HE ARG A 87 2.695 -15.082 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.766 -14.400 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.061 -15.580 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.308 -16.595 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.672 -16.818 8.668 1.00 0.00 H new ATOM 1412 N ASN A 88 1.610 -9.785 8.613 1.00 0.00 N ATOM 1413 CA ASN A 88 0.528 -9.071 9.281 1.00 0.00 C ATOM 1414 C ASN A 88 0.857 -7.587 9.414 1.00 0.00 C ATOM 1415 O ASN A 88 -0.006 -6.730 9.222 1.00 0.00 O ATOM 1416 CB ASN A 88 0.270 -9.673 10.664 1.00 0.00 C ATOM 1417 CG ASN A 88 -0.026 -11.159 10.601 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -1.174 -11.568 10.422 1.00 0.00 O ATOM 1419 ND2 ASN A 88 1.010 -11.976 10.749 1.00 0.00 N ATOM 0 H ASN A 88 2.247 -10.272 9.244 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.371 -9.173 8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.140 -9.505 11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.569 -9.157 11.131 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.872 -12.986 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.944 -11.594 10.895 1.00 0.00 H new ATOM 1426 N ASP A 89 2.109 -7.291 9.743 1.00 0.00 N ATOM 1427 CA ASP A 89 2.553 -5.911 9.900 1.00 0.00 C ATOM 1428 C ASP A 89 2.289 -5.108 8.630 1.00 0.00 C ATOM 1429 O ASP A 89 1.533 -4.136 8.644 1.00 0.00 O ATOM 1430 CB ASP A 89 4.042 -5.867 10.247 1.00 0.00 C ATOM 1431 CG ASP A 89 4.291 -5.949 11.740 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.372 -5.611 12.514 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.407 -6.351 12.134 1.00 0.00 O ATOM 0 H ASP A 89 2.835 -7.989 9.906 1.00 0.00 H new ATOM 0 HA ASP A 89 1.986 -5.463 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.552 -6.692 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.475 -4.945 9.859 1.00 0.00 H new ATOM 1438 N TRP A 90 2.919 -5.519 7.536 1.00 0.00 N ATOM 1439 CA TRP A 90 2.754 -4.837 6.257 1.00 0.00 C ATOM 1440 C TRP A 90 1.279 -4.591 5.958 1.00 0.00 C ATOM 1441 O TRP A 90 0.841 -3.445 5.847 1.00 0.00 O ATOM 1442 CB TRP A 90 3.385 -5.658 5.132 1.00 0.00 C ATOM 1443 CG TRP A 90 4.881 -5.571 5.100 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.766 -6.535 5.491 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.665 -4.459 4.656 1.00 0.00 C ATOM 1446 NE1 TRP A 90 7.054 -6.089 5.316 1.00 0.00 N ATOM 1447 CE2 TRP A 90 7.019 -4.819 4.804 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.356 -3.196 4.145 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 8.059 -3.959 4.461 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.390 -2.344 3.805 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.728 -2.729 3.963 1.00 0.00 C ATOM 0 H TRP A 90 3.549 -6.321 7.508 1.00 0.00 H new ATOM 0 HA TRP A 90 3.259 -3.873 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.091 -6.702 5.245 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.988 -5.317 4.176 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.494 -7.505 5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.899 -6.618 5.532 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.328 -2.891 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 9.091 -4.253 4.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 6.163 -1.365 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.513 -2.041 3.686 1.00 0.00 H new ATOM 1462 N ILE A 91 0.517 -5.672 5.829 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.909 -5.572 5.545 1.00 0.00 C ATOM 1464 C ILE A 91 -1.598 -4.621 6.517 1.00 0.00 C ATOM 1465 O ILE A 91 -2.356 -3.742 6.109 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.595 -6.949 5.617 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -0.919 -7.931 4.657 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.076 -6.820 5.295 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.492 -9.330 4.723 1.00 0.00 C ATOM 0 H ILE A 91 0.864 -6.627 5.917 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.002 -5.181 4.532 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.496 -7.335 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.015 -7.555 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.147 -7.972 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.547 -7.801 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.548 -6.150 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.196 -6.416 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.966 -9.972 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.372 -9.725 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.551 -9.302 4.468 1.00 0.00 H new ATOM 1481 N SER A 92 -1.328 -4.803 7.806 1.00 0.00 N ATOM 1482 CA SER A 92 -1.924 -3.962 8.838 1.00 0.00 C ATOM 1483 C SER A 92 -1.644 -2.487 8.565 1.00 0.00 C ATOM 1484 O SER A 92 -2.522 -1.638 8.724 1.00 0.00 O ATOM 1485 CB SER A 92 -1.384 -4.350 10.216 1.00 0.00 C ATOM 1486 OG SER A 92 -1.976 -3.564 11.235 1.00 0.00 O ATOM 0 H SER A 92 -0.701 -5.525 8.160 1.00 0.00 H new ATOM 0 HA SER A 92 -3.003 -4.118 8.822 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.583 -5.405 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.302 -4.221 10.235 1.00 0.00 H new ATOM 0 HG SER A 92 -1.616 -3.832 12.106 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.416 -2.191 8.154 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.020 -0.820 7.859 1.00 0.00 C ATOM 1494 C ILE A 93 -0.766 -0.282 6.642 1.00 0.00 C ATOM 1495 O ILE A 93 -1.271 0.841 6.656 1.00 0.00 O ATOM 1496 CB ILE A 93 1.496 -0.713 7.606 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.274 -1.131 8.856 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.866 0.704 7.194 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.742 -1.385 8.596 1.00 0.00 C ATOM 0 H ILE A 93 0.322 -2.882 8.018 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.277 -0.223 8.734 1.00 0.00 H new ATOM 0 HB ILE A 93 1.762 -1.388 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.177 -0.352 9.612 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.825 -2.034 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.940 0.763 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.334 0.968 6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.589 1.398 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.231 -1.677 9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.849 -2.185 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.206 -0.477 8.212 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.833 -1.092 5.591 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.519 -0.699 4.365 1.00 0.00 C ATOM 1513 C LEU A 94 -3.000 -0.444 4.628 1.00 0.00 C ATOM 1514 O LEU A 94 -3.522 0.626 4.313 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.358 -1.783 3.298 1.00 0.00 C ATOM 1516 CG LEU A 94 0.078 -2.174 2.949 1.00 0.00 C ATOM 1517 CD1 LEU A 94 0.097 -3.442 2.108 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.778 -1.037 2.220 1.00 0.00 C ATOM 0 H LEU A 94 -0.421 -2.025 5.563 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.068 0.226 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.885 -2.676 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.853 -1.445 2.388 1.00 0.00 H new ATOM 0 HG LEU A 94 0.617 -2.370 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.128 -3.705 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.365 -4.256 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.458 -3.275 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.799 -1.333 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.240 -0.809 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.797 -0.153 2.858 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.671 -1.433 5.208 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.092 -1.315 5.516 1.00 0.00 C ATOM 1532 C LEU A 95 -5.363 -0.083 6.374 1.00 0.00 C ATOM 1533 O LEU A 95 -6.382 0.586 6.212 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.584 -2.571 6.237 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.678 -3.839 5.388 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.966 -5.048 6.264 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.749 -3.686 4.318 1.00 0.00 C ATOM 0 H LEU A 95 -3.254 -2.325 5.474 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.634 -1.207 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.917 -2.768 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.569 -2.364 6.655 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.719 -3.994 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.029 -5.941 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.164 -5.169 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.911 -4.902 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.802 -4.598 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.714 -3.505 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.500 -2.845 3.671 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.442 0.211 7.286 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.581 1.363 8.169 1.00 0.00 C ATOM 1551 C ASN A 96 -4.298 2.661 7.418 1.00 0.00 C ATOM 1552 O ASN A 96 -4.908 3.694 7.691 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.632 1.235 9.363 1.00 0.00 C ATOM 1554 CG ASN A 96 -4.296 0.583 10.560 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -5.461 0.845 10.858 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.554 -0.272 11.254 1.00 0.00 N ATOM 0 H ASN A 96 -3.592 -0.333 7.433 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.609 1.389 8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.761 0.649 9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.271 2.224 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.946 -0.741 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.592 -0.459 10.971 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.369 2.599 6.469 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.007 3.767 5.677 1.00 0.00 C ATOM 1565 C ALA A 97 -4.180 4.236 4.823 1.00 0.00 C ATOM 1566 O ALA A 97 -4.437 5.435 4.707 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.803 3.458 4.800 1.00 0.00 C ATOM 0 H ALA A 97 -2.854 1.752 6.231 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.745 4.573 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.544 4.340 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.957 3.179 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.044 2.634 4.128 1.00 0.00 H new ATOM 1573 N LEU A 98 -4.888 3.284 4.225 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.035 3.600 3.380 1.00 0.00 C ATOM 1575 C LEU A 98 -7.092 4.372 4.162 1.00 0.00 C ATOM 1576 O LEU A 98 -7.601 5.393 3.698 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.642 2.316 2.810 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.680 1.393 2.061 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.218 -0.029 2.034 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.443 1.904 0.648 1.00 0.00 C ATOM 0 H LEU A 98 -4.688 2.287 4.309 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.688 4.227 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.088 1.754 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.452 2.590 2.133 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.726 1.388 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.520 -0.672 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.335 -0.393 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.185 -0.043 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.756 1.235 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.390 1.939 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.012 2.904 0.690 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.416 3.881 5.353 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.409 4.526 6.203 1.00 0.00 C ATOM 1594 C LYS A 99 -8.056 5.991 6.438 1.00 0.00 C ATOM 1595 O LYS A 99 -8.917 6.867 6.357 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.515 3.795 7.544 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.910 2.334 7.411 1.00 0.00 C ATOM 1598 CD LYS A 99 -9.002 1.656 8.767 1.00 0.00 C ATOM 1599 CE LYS A 99 -9.973 0.485 8.740 1.00 0.00 C ATOM 1600 NZ LYS A 99 -10.143 -0.126 10.087 1.00 0.00 N ATOM 0 H LYS A 99 -7.005 3.037 5.752 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.371 4.480 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.557 3.858 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.247 4.305 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.870 2.261 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.179 1.814 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.015 1.305 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.324 2.380 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.941 0.824 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.612 -0.270 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.812 -0.920 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.224 -0.473 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.512 0.587 10.748 1.00 0.00 H new ATOM 1614 N SER A 100 -6.785 6.250 6.727 1.00 0.00 N ATOM 1615 CA SER A 100 -6.318 7.609 6.975 1.00 0.00 C ATOM 1616 C SER A 100 -6.889 8.576 5.942 1.00 0.00 C ATOM 1617 O SER A 100 -7.359 9.661 6.286 1.00 0.00 O ATOM 1618 CB SER A 100 -4.790 7.659 6.947 1.00 0.00 C ATOM 1619 OG SER A 100 -4.313 8.923 7.374 1.00 0.00 O ATOM 0 H SER A 100 -6.060 5.536 6.795 1.00 0.00 H new ATOM 0 HA SER A 100 -6.666 7.912 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.386 6.878 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.435 7.455 5.937 1.00 0.00 H new ATOM 0 HG SER A 100 -3.333 8.929 7.348 1.00 0.00 H new