USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 12:sc= 0.835 USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 30:sc= 0.981 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -161:sc= 0.294 (180deg=-0.746) USER MOD Set 3.1: A 43 TYR OH : rot -157:sc= 2.44 USER MOD Set 3.2: A 83 LYS NZ :NH3+ 169:sc= 2.26 (180deg=0.715) USER MOD Set 4.1: A 24 THR OG1 : rot 34:sc= 0.871 USER MOD Set 4.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0499 (180deg=-0.406) USER MOD Single : A 26 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-0.97) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= -0.626! (180deg=-0.626!) USER MOD Single : A 30 GLN : amide:sc= -2.95! K(o=-2.9!,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= -3.11! K(o=-3.1!,f=-2.2) USER MOD Single : A 36 SER OG : rot 14:sc= -0.338 USER MOD Single : A 42 GLN : amide:sc= -0.745 K(o=-0.74,f=-5.4!) USER MOD Single : A 44 CYS SG : rot 26:sc= 0.585 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00388 K(o=-0.0039,f=-1) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -169:sc= 0.0968 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.892 K(o=-0.89,f=-2.7) USER MOD Single : A 77 SER OG : rot 180:sc=0.000596 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -1.97! (180deg=-3.27!) USER MOD Single : A 82 THR OG1 : rot -81:sc= 0.342 USER MOD Single : A 88 LYS NZ :NH3+ -155:sc= 1.3 (180deg=0.0611) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0715 X(o=-0.071,f=-0.0015) USER MOD Single : A 102 ASN : amide:sc= -2.13! X(o=-2.1!,f=-1.7) USER MOD Single : A 103 LYS NZ :NH3+ -132:sc= 0.641 (180deg=0.0083) USER MOD Single : A 105 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.45) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 110 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.24) USER MOD Single : A 116 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.905 K(o=-0.9,f=0) USER MOD Single : A 121 THR OG1 : rot 47:sc= 0.36 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 168:sc= -0.0597 (180deg=-0.311) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 3.930 4.754 21.525 1.00 0.00 N ATOM 2 CA GLY A 13 4.973 5.294 20.621 1.00 0.00 C ATOM 3 C GLY A 13 6.343 4.715 20.906 1.00 0.00 C ATOM 4 O GLY A 13 7.311 5.454 21.085 1.00 0.00 O ATOM 0 HA2 GLY A 13 4.700 5.081 19.588 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.012 6.379 20.723 1.00 0.00 H new ATOM 10 N SER A 14 6.427 3.394 20.953 1.00 0.00 N ATOM 11 CA SER A 14 7.687 2.714 21.193 1.00 0.00 C ATOM 12 C SER A 14 8.539 2.717 19.923 1.00 0.00 C ATOM 13 O SER A 14 8.183 2.088 18.925 1.00 0.00 O ATOM 14 CB SER A 14 7.417 1.280 21.648 1.00 0.00 C ATOM 15 OG SER A 14 6.502 1.257 22.732 1.00 0.00 O ATOM 0 H SER A 14 5.630 2.770 20.827 1.00 0.00 H new ATOM 0 HA SER A 14 8.234 3.239 21.976 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.017 0.700 20.817 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.352 0.807 21.946 1.00 0.00 H new ATOM 0 HG SER A 14 6.342 0.330 23.006 1.00 0.00 H new ATOM 21 N PRO A 15 9.671 3.434 19.935 1.00 0.00 N ATOM 22 CA PRO A 15 10.532 3.563 18.764 1.00 0.00 C ATOM 23 C PRO A 15 11.421 2.338 18.557 1.00 0.00 C ATOM 24 O PRO A 15 12.645 2.412 18.681 1.00 0.00 O ATOM 25 CB PRO A 15 11.370 4.800 19.086 1.00 0.00 C ATOM 26 CG PRO A 15 11.457 4.824 20.574 1.00 0.00 C ATOM 27 CD PRO A 15 10.198 4.178 21.095 1.00 0.00 C ATOM 0 HA PRO A 15 9.962 3.648 17.839 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.359 4.737 18.633 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.901 5.706 18.702 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.339 4.284 20.918 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.546 5.847 20.939 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.408 3.514 21.933 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.485 4.922 21.449 1.00 0.00 H new ATOM 35 N GLY A 16 10.792 1.208 18.265 1.00 0.00 N ATOM 36 CA GLY A 16 11.531 -0.001 17.960 1.00 0.00 C ATOM 37 C GLY A 16 11.870 -0.087 16.491 1.00 0.00 C ATOM 38 O GLY A 16 12.806 -0.780 16.089 1.00 0.00 O ATOM 0 H GLY A 16 9.778 1.107 18.234 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.448 -0.026 18.548 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.942 -0.871 18.250 1.00 0.00 H new ATOM 42 N ILE A 17 11.088 0.612 15.690 1.00 0.00 N ATOM 43 CA ILE A 17 11.323 0.706 14.259 1.00 0.00 C ATOM 44 C ILE A 17 11.708 2.144 13.918 1.00 0.00 C ATOM 45 O ILE A 17 11.551 3.029 14.764 1.00 0.00 O ATOM 46 CB ILE A 17 10.073 0.261 13.462 1.00 0.00 C ATOM 47 CG1 ILE A 17 8.902 1.218 13.713 1.00 0.00 C ATOM 48 CG2 ILE A 17 9.710 -1.170 13.818 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.559 0.679 13.265 1.00 0.00 C ATOM 0 H ILE A 17 10.271 1.131 16.012 1.00 0.00 H new ATOM 0 HA ILE A 17 12.137 0.037 13.979 1.00 0.00 H new ATOM 0 HB ILE A 17 10.301 0.297 12.397 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.854 1.445 14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.096 2.157 13.195 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.829 -1.474 13.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.543 -1.828 13.573 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.496 -1.237 14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.783 1.414 13.477 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.586 0.478 12.194 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.340 -0.244 13.801 1.00 0.00 H new ATOM 61 N PRO A 18 12.228 2.423 12.708 1.00 0.00 N ATOM 62 CA PRO A 18 12.669 3.770 12.359 1.00 0.00 C ATOM 63 C PRO A 18 11.493 4.705 12.081 1.00 0.00 C ATOM 64 O PRO A 18 10.367 4.412 12.489 1.00 0.00 O ATOM 65 CB PRO A 18 13.521 3.555 11.111 1.00 0.00 C ATOM 66 CG PRO A 18 12.981 2.318 10.483 1.00 0.00 C ATOM 67 CD PRO A 18 12.417 1.472 11.593 1.00 0.00 C ATOM 0 HA PRO A 18 13.216 4.251 13.169 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.449 4.405 10.433 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.574 3.440 11.367 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.209 2.561 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.766 1.782 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.475 1.007 11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.099 0.667 11.867 1.00 0.00 H new ATOM 75 N VAL A 19 11.762 5.822 11.402 1.00 0.00 N ATOM 76 CA VAL A 19 10.740 6.824 11.095 1.00 0.00 C ATOM 77 C VAL A 19 9.427 6.170 10.659 1.00 0.00 C ATOM 78 O VAL A 19 9.367 5.518 9.613 1.00 0.00 O ATOM 79 CB VAL A 19 11.188 7.785 9.982 1.00 0.00 C ATOM 80 CG1 VAL A 19 10.794 9.205 10.330 1.00 0.00 C ATOM 81 CG2 VAL A 19 12.685 7.684 9.720 1.00 0.00 C ATOM 0 H VAL A 19 12.690 6.057 11.051 1.00 0.00 H new ATOM 0 HA VAL A 19 10.588 7.385 12.017 1.00 0.00 H new ATOM 0 HB VAL A 19 10.681 7.495 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.116 9.877 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.711 9.266 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.271 9.496 11.266 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.963 8.378 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.231 7.934 10.629 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.933 6.667 9.416 1.00 0.00 H new ATOM 91 N PRO A 20 8.369 6.316 11.465 1.00 0.00 N ATOM 92 CA PRO A 20 7.098 5.659 11.232 1.00 0.00 C ATOM 93 C PRO A 20 6.165 6.464 10.344 1.00 0.00 C ATOM 94 O PRO A 20 5.879 7.633 10.605 1.00 0.00 O ATOM 95 CB PRO A 20 6.506 5.515 12.638 1.00 0.00 C ATOM 96 CG PRO A 20 7.331 6.384 13.542 1.00 0.00 C ATOM 97 CD PRO A 20 8.319 7.127 12.680 1.00 0.00 C ATOM 0 HA PRO A 20 7.230 4.713 10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.461 5.824 12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.536 4.476 12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.696 7.083 14.086 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.850 5.779 14.286 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.989 8.145 12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.296 7.200 13.157 1.00 0.00 H new ATOM 105 N GLY A 21 5.700 5.824 9.293 1.00 0.00 N ATOM 106 CA GLY A 21 4.731 6.428 8.416 1.00 0.00 C ATOM 107 C GLY A 21 3.518 5.543 8.278 1.00 0.00 C ATOM 108 O GLY A 21 3.646 4.333 8.101 1.00 0.00 O ATOM 0 H GLY A 21 5.982 4.880 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.435 7.402 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.176 6.600 7.436 1.00 0.00 H new ATOM 112 N LYS A 22 2.343 6.129 8.379 1.00 0.00 N ATOM 113 CA LYS A 22 1.109 5.364 8.324 1.00 0.00 C ATOM 114 C LYS A 22 -0.060 6.262 7.967 1.00 0.00 C ATOM 115 O LYS A 22 -0.418 7.166 8.727 1.00 0.00 O ATOM 116 CB LYS A 22 0.854 4.657 9.663 1.00 0.00 C ATOM 117 CG LYS A 22 0.986 5.571 10.875 1.00 0.00 C ATOM 118 CD LYS A 22 0.658 4.849 12.172 1.00 0.00 C ATOM 119 CE LYS A 22 -0.815 4.484 12.261 1.00 0.00 C ATOM 120 NZ LYS A 22 -1.698 5.677 12.154 1.00 0.00 N ATOM 0 H LYS A 22 2.214 7.134 8.500 1.00 0.00 H new ATOM 0 HA LYS A 22 1.210 4.606 7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.147 4.227 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.556 3.829 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.002 5.962 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.321 6.426 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.261 3.944 12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.927 5.482 13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.061 3.779 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.005 3.977 13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.649 5.437 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.306 6.452 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.757 5.977 11.160 1.00 0.00 H new ATOM 134 N VAL A 23 -0.650 6.026 6.806 1.00 0.00 N ATOM 135 CA VAL A 23 -1.797 6.812 6.386 1.00 0.00 C ATOM 136 C VAL A 23 -2.938 5.891 5.986 1.00 0.00 C ATOM 137 O VAL A 23 -2.716 4.734 5.623 1.00 0.00 O ATOM 138 CB VAL A 23 -1.462 7.786 5.222 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.275 8.661 5.582 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.196 7.051 3.918 1.00 0.00 C ATOM 0 H VAL A 23 -0.358 5.306 6.146 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.096 7.424 7.237 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.338 8.417 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.056 9.336 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.509 9.244 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.594 8.033 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.966 7.773 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.351 6.375 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.080 6.478 3.636 1.00 0.00 H new ATOM 150 N THR A 24 -4.159 6.384 6.089 1.00 0.00 N ATOM 151 CA THR A 24 -5.312 5.603 5.695 1.00 0.00 C ATOM 152 C THR A 24 -6.024 6.269 4.523 1.00 0.00 C ATOM 153 O THR A 24 -6.388 7.444 4.574 1.00 0.00 O ATOM 154 CB THR A 24 -6.284 5.370 6.879 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.365 4.519 6.471 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.839 6.680 7.427 1.00 0.00 C ATOM 0 H THR A 24 -4.375 7.317 6.441 1.00 0.00 H new ATOM 0 HA THR A 24 -4.959 4.622 5.377 1.00 0.00 H new ATOM 0 HB THR A 24 -5.717 4.888 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.037 3.863 5.821 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.516 6.470 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.018 7.304 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.381 7.203 6.639 1.00 0.00 H new ATOM 164 N LEU A 25 -6.171 5.518 3.447 1.00 0.00 N ATOM 165 CA LEU A 25 -6.792 6.020 2.238 1.00 0.00 C ATOM 166 C LEU A 25 -7.983 5.149 1.884 1.00 0.00 C ATOM 167 O LEU A 25 -8.403 4.307 2.682 1.00 0.00 O ATOM 168 CB LEU A 25 -5.772 5.991 1.107 1.00 0.00 C ATOM 169 CG LEU A 25 -4.385 6.492 1.492 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.359 5.982 0.502 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.367 8.012 1.559 1.00 0.00 C ATOM 0 H LEU A 25 -5.864 4.547 3.388 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.133 7.044 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.686 4.969 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.147 6.596 0.282 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.132 6.110 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.370 6.344 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.361 4.892 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.606 6.342 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.369 8.352 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.634 8.422 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.086 8.352 2.305 1.00 0.00 H new ATOM 183 N GLN A 26 -8.511 5.330 0.688 1.00 0.00 N ATOM 184 CA GLN A 26 -9.663 4.579 0.248 1.00 0.00 C ATOM 185 C GLN A 26 -9.454 4.056 -1.149 1.00 0.00 C ATOM 186 O GLN A 26 -8.890 4.731 -2.002 1.00 0.00 O ATOM 187 CB GLN A 26 -10.927 5.427 0.328 1.00 0.00 C ATOM 188 CG GLN A 26 -11.386 5.638 1.753 1.00 0.00 C ATOM 189 CD GLN A 26 -12.500 6.652 1.874 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.611 7.574 1.067 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.323 6.494 2.895 1.00 0.00 N ATOM 0 H GLN A 26 -8.155 5.996 0.003 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.789 3.726 0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.743 6.394 -0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.722 4.945 -0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.723 4.686 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.539 5.964 2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.193 5.714 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.089 7.152 3.039 1.00 0.00 H new ATOM 200 N LYS A 27 -9.905 2.830 -1.340 1.00 0.00 N ATOM 201 CA LYS A 27 -9.773 2.111 -2.605 1.00 0.00 C ATOM 202 C LYS A 27 -10.148 2.979 -3.798 1.00 0.00 C ATOM 203 O LYS A 27 -11.081 3.781 -3.747 1.00 0.00 O ATOM 204 CB LYS A 27 -10.688 0.895 -2.608 1.00 0.00 C ATOM 205 CG LYS A 27 -10.559 0.009 -1.388 1.00 0.00 C ATOM 206 CD LYS A 27 -9.274 -0.790 -1.410 1.00 0.00 C ATOM 207 CE LYS A 27 -9.530 -2.230 -1.021 1.00 0.00 C ATOM 208 NZ LYS A 27 -10.403 -2.920 -2.011 1.00 0.00 N ATOM 0 H LYS A 27 -10.381 2.294 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.727 1.817 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.721 1.234 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.478 0.300 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.591 0.623 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.410 -0.671 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.833 -0.751 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.553 -0.346 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.581 -2.760 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.998 -2.264 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.557 -3.904 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.318 -2.429 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.945 -2.910 -2.945 1.00 0.00 H new ATOM 222 N ASP A 28 -9.424 2.766 -4.872 1.00 0.00 N ATOM 223 CA ASP A 28 -9.641 3.466 -6.129 1.00 0.00 C ATOM 224 C ASP A 28 -10.751 2.768 -6.915 1.00 0.00 C ATOM 225 O ASP A 28 -11.298 1.773 -6.438 1.00 0.00 O ATOM 226 CB ASP A 28 -8.325 3.484 -6.928 1.00 0.00 C ATOM 227 CG ASP A 28 -8.395 4.294 -8.207 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.406 5.539 -8.129 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.440 3.683 -9.297 1.00 0.00 O ATOM 0 H ASP A 28 -8.657 2.095 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.950 4.494 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.533 3.888 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.046 2.459 -7.173 1.00 0.00 H new ATOM 234 N ALA A 29 -11.081 3.261 -8.101 1.00 0.00 N ATOM 235 CA ALA A 29 -12.105 2.636 -8.933 1.00 0.00 C ATOM 236 C ALA A 29 -11.748 1.184 -9.260 1.00 0.00 C ATOM 237 O ALA A 29 -12.626 0.360 -9.521 1.00 0.00 O ATOM 238 CB ALA A 29 -12.302 3.435 -10.211 1.00 0.00 C ATOM 0 H ALA A 29 -10.655 4.092 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.039 2.630 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.068 2.959 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.615 4.449 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.364 3.471 -10.766 1.00 0.00 H new ATOM 244 N GLN A 30 -10.459 0.866 -9.215 1.00 0.00 N ATOM 245 CA GLN A 30 -9.991 -0.481 -9.498 1.00 0.00 C ATOM 246 C GLN A 30 -9.798 -1.255 -8.199 1.00 0.00 C ATOM 247 O GLN A 30 -9.016 -2.202 -8.130 1.00 0.00 O ATOM 248 CB GLN A 30 -8.687 -0.433 -10.243 1.00 0.00 C ATOM 249 CG GLN A 30 -8.478 -1.590 -11.197 1.00 0.00 C ATOM 250 CD GLN A 30 -7.245 -1.393 -12.036 1.00 0.00 C ATOM 251 OE1 GLN A 30 -7.297 -0.806 -13.117 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.127 -1.878 -11.546 1.00 0.00 N ATOM 0 H GLN A 30 -9.718 1.528 -8.984 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.740 -0.983 -10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.635 0.500 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.869 -0.418 -9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.391 -2.518 -10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.349 -1.691 -11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.130 -2.357 -10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.255 -1.775 -12.066 1.00 0.00 H new ATOM 261 N ASN A 31 -10.473 -0.772 -7.168 1.00 0.00 N ATOM 262 CA ASN A 31 -10.548 -1.393 -5.846 1.00 0.00 C ATOM 263 C ASN A 31 -9.178 -1.608 -5.204 1.00 0.00 C ATOM 264 O ASN A 31 -9.020 -2.432 -4.299 1.00 0.00 O ATOM 265 CB ASN A 31 -11.362 -2.694 -5.883 1.00 0.00 C ATOM 266 CG ASN A 31 -10.644 -3.905 -6.462 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.741 -4.193 -7.653 1.00 0.00 O ATOM 268 ND2 ASN A 31 -9.949 -4.637 -5.616 1.00 0.00 N ATOM 0 H ASN A 31 -11.005 0.096 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.074 -0.684 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.677 -2.933 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.267 -2.519 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.468 -5.475 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.892 -4.366 -4.634 1.00 0.00 H new ATOM 275 N LEU A 32 -8.210 -0.825 -5.637 1.00 0.00 N ATOM 276 CA LEU A 32 -6.857 -0.903 -5.095 1.00 0.00 C ATOM 277 C LEU A 32 -6.364 0.473 -4.673 1.00 0.00 C ATOM 278 O LEU A 32 -7.162 1.399 -4.558 1.00 0.00 O ATOM 279 CB LEU A 32 -5.909 -1.537 -6.121 1.00 0.00 C ATOM 280 CG LEU A 32 -6.082 -1.091 -7.584 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.812 0.395 -7.768 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.169 -1.904 -8.483 1.00 0.00 C ATOM 0 H LEU A 32 -8.331 -0.122 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.875 -1.536 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.885 -1.321 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.033 -2.619 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.122 -1.267 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.947 0.662 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.506 0.970 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.789 0.619 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.297 -1.583 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.133 -1.753 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.421 -2.961 -8.397 1.00 0.00 H new ATOM 294 N ILE A 33 -5.065 0.620 -4.440 1.00 0.00 N ATOM 295 CA ILE A 33 -4.539 1.886 -3.996 1.00 0.00 C ATOM 296 C ILE A 33 -3.792 2.605 -5.110 1.00 0.00 C ATOM 297 O ILE A 33 -3.718 3.833 -5.124 1.00 0.00 O ATOM 298 CB ILE A 33 -3.617 1.720 -2.781 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.561 0.255 -2.324 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.117 2.607 -1.660 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.559 0.008 -1.217 1.00 0.00 C ATOM 0 H ILE A 33 -4.371 -0.119 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.396 2.492 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.605 2.014 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.550 -0.049 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.311 -0.375 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.468 2.496 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.110 3.646 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.133 2.318 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.572 -1.047 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.562 0.281 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.821 0.612 -0.348 1.00 0.00 H new ATOM 313 N GLY A 34 -3.262 1.840 -6.054 1.00 0.00 N ATOM 314 CA GLY A 34 -2.543 2.427 -7.169 1.00 0.00 C ATOM 315 C GLY A 34 -1.038 2.411 -6.981 1.00 0.00 C ATOM 316 O GLY A 34 -0.361 3.398 -7.281 1.00 0.00 O ATOM 0 H GLY A 34 -3.317 0.822 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.795 1.886 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.875 3.456 -7.306 1.00 0.00 H new ATOM 320 N ILE A 35 -0.519 1.303 -6.474 1.00 0.00 N ATOM 321 CA ILE A 35 0.924 1.136 -6.286 1.00 0.00 C ATOM 322 C ILE A 35 1.410 -0.169 -6.868 1.00 0.00 C ATOM 323 O ILE A 35 0.631 -1.021 -7.299 1.00 0.00 O ATOM 324 CB ILE A 35 1.324 1.181 -4.793 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.480 0.208 -3.966 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.190 2.587 -4.252 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.988 -1.218 -3.946 1.00 0.00 C ATOM 0 H ILE A 35 -1.075 0.499 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 35 1.392 1.971 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 35 2.367 0.874 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.429 0.575 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.538 0.210 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.475 2.601 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.841 3.257 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.156 2.918 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.326 -1.832 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.011 -1.610 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.993 -1.240 -3.525 1.00 0.00 H new ATOM 339 N SER A 36 2.710 -0.302 -6.865 1.00 0.00 N ATOM 340 CA SER A 36 3.374 -1.529 -7.215 1.00 0.00 C ATOM 341 C SER A 36 4.553 -1.715 -6.305 1.00 0.00 C ATOM 342 O SER A 36 5.347 -0.792 -6.113 1.00 0.00 O ATOM 343 CB SER A 36 3.818 -1.519 -8.673 1.00 0.00 C ATOM 344 OG SER A 36 2.704 -1.710 -9.511 1.00 0.00 O ATOM 0 H SER A 36 3.348 0.453 -6.615 1.00 0.00 H new ATOM 0 HA SER A 36 2.679 -2.360 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.304 -0.572 -8.908 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.553 -2.306 -8.844 1.00 0.00 H new ATOM 0 HG SER A 36 1.881 -1.588 -8.994 1.00 0.00 H new ATOM 350 N ILE A 37 4.648 -2.882 -5.710 1.00 0.00 N ATOM 351 CA ILE A 37 5.767 -3.162 -4.832 1.00 0.00 C ATOM 352 C ILE A 37 6.580 -4.345 -5.343 1.00 0.00 C ATOM 353 O ILE A 37 6.040 -5.351 -5.827 1.00 0.00 O ATOM 354 CB ILE A 37 5.361 -3.379 -3.345 1.00 0.00 C ATOM 355 CG1 ILE A 37 4.828 -4.786 -3.093 1.00 0.00 C ATOM 356 CG2 ILE A 37 4.322 -2.352 -2.920 1.00 0.00 C ATOM 357 CD1 ILE A 37 4.572 -5.078 -1.627 1.00 0.00 C ATOM 0 H ILE A 37 3.977 -3.643 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 37 6.386 -2.265 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 37 6.264 -3.253 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.901 -4.921 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.542 -5.512 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.050 -2.519 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.735 -1.349 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.435 -2.451 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.194 -6.095 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.502 -4.975 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.835 -4.374 -1.239 1.00 0.00 H new ATOM 369 N GLY A 38 7.884 -4.177 -5.256 1.00 0.00 N ATOM 370 CA GLY A 38 8.819 -5.177 -5.695 1.00 0.00 C ATOM 371 C GLY A 38 9.538 -5.825 -4.532 1.00 0.00 C ATOM 372 O GLY A 38 9.099 -5.679 -3.386 1.00 0.00 O ATOM 0 H GLY A 38 8.321 -3.337 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.292 -5.941 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.549 -4.723 -6.366 1.00 0.00 H new ATOM 376 N GLY A 39 10.712 -6.400 -4.838 1.00 0.00 N ATOM 377 CA GLY A 39 11.401 -7.371 -3.982 1.00 0.00 C ATOM 378 C GLY A 39 10.890 -7.464 -2.558 1.00 0.00 C ATOM 379 O GLY A 39 10.303 -8.479 -2.179 1.00 0.00 O ATOM 0 H GLY A 39 11.215 -6.198 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.322 -8.356 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.460 -7.116 -3.953 1.00 0.00 H new ATOM 383 N GLY A 40 11.128 -6.432 -1.765 1.00 0.00 N ATOM 384 CA GLY A 40 10.579 -6.395 -0.426 1.00 0.00 C ATOM 385 C GLY A 40 11.214 -7.412 0.491 1.00 0.00 C ATOM 386 O GLY A 40 10.560 -7.925 1.399 1.00 0.00 O ATOM 0 H GLY A 40 11.690 -5.621 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.718 -5.398 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.505 -6.574 -0.473 1.00 0.00 H new ATOM 390 N ALA A 41 12.485 -7.722 0.235 1.00 0.00 N ATOM 391 CA ALA A 41 13.243 -8.672 1.050 1.00 0.00 C ATOM 392 C ALA A 41 12.658 -10.081 0.975 1.00 0.00 C ATOM 393 O ALA A 41 13.098 -10.981 1.685 1.00 0.00 O ATOM 394 CB ALA A 41 13.335 -8.199 2.497 1.00 0.00 C ATOM 0 H ALA A 41 13.016 -7.324 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 41 14.252 -8.716 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.903 -8.923 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.835 -7.231 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.332 -8.104 2.913 1.00 0.00 H new ATOM 400 N GLN A 42 11.658 -10.264 0.117 1.00 0.00 N ATOM 401 CA GLN A 42 11.144 -11.592 -0.178 1.00 0.00 C ATOM 402 C GLN A 42 12.184 -12.333 -0.998 1.00 0.00 C ATOM 403 O GLN A 42 12.284 -13.556 -0.961 1.00 0.00 O ATOM 404 CB GLN A 42 9.822 -11.508 -0.950 1.00 0.00 C ATOM 405 CG GLN A 42 8.700 -10.807 -0.192 1.00 0.00 C ATOM 406 CD GLN A 42 8.168 -11.618 0.978 1.00 0.00 C ATOM 407 OE1 GLN A 42 8.894 -12.392 1.601 1.00 0.00 O ATOM 408 NE2 GLN A 42 6.892 -11.445 1.282 1.00 0.00 N ATOM 0 H GLN A 42 11.190 -9.509 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 42 10.949 -12.123 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.995 -10.982 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.498 -12.517 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.063 -9.847 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.882 -10.596 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.323 -10.794 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.478 -11.963 2.057 1.00 0.00 H new ATOM 417 N TYR A 43 12.956 -11.553 -1.738 1.00 0.00 N ATOM 418 CA TYR A 43 14.086 -12.061 -2.491 1.00 0.00 C ATOM 419 C TYR A 43 15.371 -11.640 -1.795 1.00 0.00 C ATOM 420 O TYR A 43 16.186 -12.475 -1.426 1.00 0.00 O ATOM 421 CB TYR A 43 14.063 -11.522 -3.924 1.00 0.00 C ATOM 422 CG TYR A 43 12.791 -11.842 -4.675 1.00 0.00 C ATOM 423 CD1 TYR A 43 11.650 -11.072 -4.502 1.00 0.00 C ATOM 424 CD2 TYR A 43 12.731 -12.915 -5.553 1.00 0.00 C ATOM 425 CE1 TYR A 43 10.485 -11.360 -5.181 1.00 0.00 C ATOM 426 CE2 TYR A 43 11.569 -13.211 -6.237 1.00 0.00 C ATOM 427 CZ TYR A 43 10.449 -12.429 -6.046 1.00 0.00 C ATOM 428 OH TYR A 43 9.286 -12.725 -6.718 1.00 0.00 O ATOM 0 H TYR A 43 12.814 -10.547 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 43 14.030 -13.149 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 43 14.196 -10.440 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 43 14.911 -11.934 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.675 -10.232 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.607 -13.528 -5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.606 -10.750 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.537 -14.049 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 43 9.296 -13.667 -6.989 1.00 0.00 H new ATOM 438 N CYS A 44 15.527 -10.330 -1.611 1.00 0.00 N ATOM 439 CA CYS A 44 16.679 -9.763 -0.909 1.00 0.00 C ATOM 440 C CYS A 44 16.419 -8.312 -0.464 1.00 0.00 C ATOM 441 O CYS A 44 16.384 -8.034 0.729 1.00 0.00 O ATOM 442 CB CYS A 44 17.953 -9.812 -1.771 1.00 0.00 C ATOM 443 SG CYS A 44 18.737 -11.439 -1.884 1.00 0.00 S ATOM 0 H CYS A 44 14.861 -9.633 -1.943 1.00 0.00 H new ATOM 0 HA CYS A 44 16.830 -10.380 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 44 17.706 -9.474 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.676 -9.104 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 44 17.845 -12.365 -1.692 1.00 0.00 H new ATOM 449 N PRO A 45 16.186 -7.372 -1.408 1.00 0.00 N ATOM 450 CA PRO A 45 16.197 -5.924 -1.110 1.00 0.00 C ATOM 451 C PRO A 45 14.926 -5.451 -0.419 1.00 0.00 C ATOM 452 O PRO A 45 13.839 -5.858 -0.810 1.00 0.00 O ATOM 453 CB PRO A 45 16.262 -5.320 -2.504 1.00 0.00 C ATOM 454 CG PRO A 45 15.415 -6.253 -3.290 1.00 0.00 C ATOM 455 CD PRO A 45 15.834 -7.613 -2.826 1.00 0.00 C ATOM 0 HA PRO A 45 17.008 -5.649 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.874 -4.302 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.283 -5.280 -2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.355 -6.079 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.577 -6.131 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.030 -8.342 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.682 -7.993 -3.396 1.00 0.00 H new ATOM 463 N CYS A 46 15.062 -4.581 0.576 1.00 0.00 N ATOM 464 CA CYS A 46 13.909 -4.060 1.308 1.00 0.00 C ATOM 465 C CYS A 46 12.941 -3.327 0.369 1.00 0.00 C ATOM 466 O CYS A 46 12.115 -3.972 -0.260 1.00 0.00 O ATOM 467 CB CYS A 46 14.372 -3.139 2.436 1.00 0.00 C ATOM 468 SG CYS A 46 15.462 -3.941 3.637 1.00 0.00 S ATOM 0 H CYS A 46 15.961 -4.220 0.896 1.00 0.00 H new ATOM 0 HA CYS A 46 13.372 -4.903 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.891 -2.284 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.497 -2.751 2.957 1.00 0.00 H new ATOM 0 HG CYS A 46 15.804 -3.084 4.553 1.00 0.00 H new ATOM 474 N LEU A 47 13.074 -1.996 0.267 1.00 0.00 N ATOM 475 CA LEU A 47 12.252 -1.132 -0.620 1.00 0.00 C ATOM 476 C LEU A 47 10.730 -1.380 -0.549 1.00 0.00 C ATOM 477 O LEU A 47 9.988 -0.560 0.003 1.00 0.00 O ATOM 478 CB LEU A 47 12.754 -1.185 -2.081 1.00 0.00 C ATOM 479 CG LEU A 47 13.010 -2.575 -2.683 1.00 0.00 C ATOM 480 CD1 LEU A 47 11.866 -3.018 -3.582 1.00 0.00 C ATOM 481 CD2 LEU A 47 14.310 -2.574 -3.456 1.00 0.00 C ATOM 0 H LEU A 47 13.765 -1.473 0.804 1.00 0.00 H new ATOM 0 HA LEU A 47 12.392 -0.125 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.024 -0.674 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.681 -0.614 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 47 13.079 -3.287 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.084 -4.005 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.943 -3.060 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.749 -2.307 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.483 -3.564 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.255 -1.840 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.131 -2.317 -2.787 1.00 0.00 H new ATOM 493 N TYR A 48 10.278 -2.517 -1.072 1.00 0.00 N ATOM 494 CA TYR A 48 8.866 -2.804 -1.262 1.00 0.00 C ATOM 495 C TYR A 48 8.288 -1.937 -2.372 1.00 0.00 C ATOM 496 O TYR A 48 8.331 -2.334 -3.524 1.00 0.00 O ATOM 497 CB TYR A 48 8.079 -2.678 0.049 1.00 0.00 C ATOM 498 CG TYR A 48 8.633 -3.577 1.130 1.00 0.00 C ATOM 499 CD1 TYR A 48 9.770 -3.211 1.833 1.00 0.00 C ATOM 500 CD2 TYR A 48 8.047 -4.799 1.425 1.00 0.00 C ATOM 501 CE1 TYR A 48 10.310 -4.025 2.796 1.00 0.00 C ATOM 502 CE2 TYR A 48 8.580 -5.624 2.399 1.00 0.00 C ATOM 503 CZ TYR A 48 9.714 -5.233 3.081 1.00 0.00 C ATOM 504 OH TYR A 48 10.255 -6.053 4.047 1.00 0.00 O ATOM 0 H TYR A 48 10.892 -3.271 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 48 8.769 -3.843 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.105 -1.643 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.033 -2.928 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.241 -2.263 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.163 -5.110 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.199 -3.720 3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.111 -6.570 2.625 1.00 0.00 H new ATOM 0 HH TYR A 48 10.702 -5.507 4.727 1.00 0.00 H new ATOM 514 N ILE A 49 7.804 -0.739 -2.076 1.00 0.00 N ATOM 515 CA ILE A 49 7.109 0.027 -3.104 1.00 0.00 C ATOM 516 C ILE A 49 8.097 0.542 -4.154 1.00 0.00 C ATOM 517 O ILE A 49 9.138 1.123 -3.830 1.00 0.00 O ATOM 518 CB ILE A 49 6.259 1.176 -2.505 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.152 1.600 -3.477 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.123 2.370 -2.140 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.554 2.687 -4.452 1.00 0.00 C ATOM 0 H ILE A 49 7.875 -0.287 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 49 6.410 -0.647 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 49 5.797 0.800 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.827 0.726 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.293 1.945 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.497 3.158 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.867 2.069 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.627 2.741 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.711 2.924 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.850 3.579 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.391 2.341 -5.058 1.00 0.00 H new ATOM 533 N VAL A 50 7.783 0.282 -5.415 1.00 0.00 N ATOM 534 CA VAL A 50 8.675 0.637 -6.507 1.00 0.00 C ATOM 535 C VAL A 50 8.051 1.642 -7.461 1.00 0.00 C ATOM 536 O VAL A 50 8.770 2.352 -8.169 1.00 0.00 O ATOM 537 CB VAL A 50 9.117 -0.600 -7.318 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.183 -1.382 -6.567 1.00 0.00 C ATOM 539 CG2 VAL A 50 7.932 -1.497 -7.642 1.00 0.00 C ATOM 0 H VAL A 50 6.918 -0.173 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 50 9.545 1.090 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 50 9.542 -0.247 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.480 -2.250 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.050 -0.744 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.783 -1.714 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.274 -2.360 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.468 -1.836 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.203 -0.939 -8.229 1.00 0.00 H new ATOM 549 N GLN A 51 6.724 1.727 -7.490 1.00 0.00 N ATOM 550 CA GLN A 51 6.072 2.552 -8.476 1.00 0.00 C ATOM 551 C GLN A 51 4.703 2.990 -7.985 1.00 0.00 C ATOM 552 O GLN A 51 3.971 2.210 -7.371 1.00 0.00 O ATOM 553 CB GLN A 51 5.974 1.788 -9.802 1.00 0.00 C ATOM 554 CG GLN A 51 4.637 1.915 -10.490 1.00 0.00 C ATOM 555 CD GLN A 51 4.530 1.030 -11.696 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.142 -0.038 -11.764 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.756 1.462 -12.657 1.00 0.00 N ATOM 0 H GLN A 51 6.097 1.240 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 51 6.663 3.453 -8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.752 2.148 -10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.176 0.733 -9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.844 1.663 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.482 2.952 -10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.268 2.352 -12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.640 0.909 -13.506 1.00 0.00 H new ATOM 566 N VAL A 52 4.385 4.244 -8.239 1.00 0.00 N ATOM 567 CA VAL A 52 3.100 4.800 -7.878 1.00 0.00 C ATOM 568 C VAL A 52 2.623 5.707 -9.003 1.00 0.00 C ATOM 569 O VAL A 52 3.417 6.127 -9.849 1.00 0.00 O ATOM 570 CB VAL A 52 3.176 5.595 -6.557 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.860 6.938 -6.757 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.797 5.780 -5.956 1.00 0.00 C ATOM 0 H VAL A 52 5.011 4.904 -8.701 1.00 0.00 H new ATOM 0 HA VAL A 52 2.396 3.981 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 52 3.778 5.015 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.897 7.472 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.874 6.779 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.300 7.527 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.878 6.343 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.165 6.326 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.355 4.805 -5.752 1.00 0.00 H new ATOM 582 N PHE A 53 1.339 5.986 -9.034 1.00 0.00 N ATOM 583 CA PHE A 53 0.783 6.836 -10.071 1.00 0.00 C ATOM 584 C PHE A 53 0.627 8.269 -9.560 1.00 0.00 C ATOM 585 O PHE A 53 1.530 8.786 -8.900 1.00 0.00 O ATOM 586 CB PHE A 53 -0.541 6.253 -10.567 1.00 0.00 C ATOM 587 CG PHE A 53 -0.384 4.864 -11.119 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.218 4.661 -12.350 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.818 3.763 -10.401 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.380 3.385 -12.855 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.658 2.485 -10.899 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.058 2.295 -12.127 1.00 0.00 C ATOM 0 H PHE A 53 0.659 5.640 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 53 1.467 6.871 -10.919 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.258 6.236 -9.746 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.955 6.903 -11.338 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.565 5.509 -12.921 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.288 3.905 -9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.848 3.240 -13.817 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.002 1.635 -10.328 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.069 1.296 -12.518 1.00 0.00 H new ATOM 602 N ASP A 54 -0.485 8.924 -9.870 1.00 0.00 N ATOM 603 CA ASP A 54 -0.715 10.290 -9.390 1.00 0.00 C ATOM 604 C ASP A 54 -2.138 10.506 -8.879 1.00 0.00 C ATOM 605 O ASP A 54 -2.353 11.243 -7.918 1.00 0.00 O ATOM 606 CB ASP A 54 -0.422 11.273 -10.519 1.00 0.00 C ATOM 607 CG ASP A 54 -0.520 12.723 -10.088 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.442 13.236 -9.479 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.554 13.365 -10.365 1.00 0.00 O ATOM 0 H ASP A 54 -1.236 8.541 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.045 10.458 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.579 11.083 -10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.120 11.096 -11.337 1.00 0.00 H new ATOM 614 N ASN A 55 -3.091 9.848 -9.509 1.00 0.00 N ATOM 615 CA ASN A 55 -4.501 10.072 -9.234 1.00 0.00 C ATOM 616 C ASN A 55 -5.042 8.969 -8.355 1.00 0.00 C ATOM 617 O ASN A 55 -6.218 8.967 -7.992 1.00 0.00 O ATOM 618 CB ASN A 55 -5.304 10.143 -10.532 1.00 0.00 C ATOM 619 CG ASN A 55 -4.957 11.363 -11.354 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.556 12.425 -11.198 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.984 11.222 -12.235 1.00 0.00 N ATOM 0 H ASN A 55 -2.913 9.144 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.599 11.025 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.118 9.245 -11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.369 10.156 -10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.705 12.012 -12.817 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.512 10.323 -12.334 1.00 0.00 H new ATOM 628 N THR A 56 -4.179 8.027 -8.014 1.00 0.00 N ATOM 629 CA THR A 56 -4.574 6.935 -7.167 1.00 0.00 C ATOM 630 C THR A 56 -4.470 7.387 -5.734 1.00 0.00 C ATOM 631 O THR A 56 -3.627 8.231 -5.437 1.00 0.00 O ATOM 632 CB THR A 56 -3.684 5.703 -7.391 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.317 6.006 -7.068 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.763 5.254 -8.833 1.00 0.00 C ATOM 0 H THR A 56 -3.204 8.004 -8.314 1.00 0.00 H new ATOM 0 HA THR A 56 -5.598 6.649 -7.407 1.00 0.00 H new ATOM 0 HB THR A 56 -4.041 4.904 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.739 5.277 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.127 4.380 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.794 4.998 -9.078 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.425 6.060 -9.484 1.00 0.00 H new ATOM 642 N PRO A 57 -5.309 6.884 -4.831 1.00 0.00 N ATOM 643 CA PRO A 57 -5.295 7.334 -3.446 1.00 0.00 C ATOM 644 C PRO A 57 -3.895 7.259 -2.864 1.00 0.00 C ATOM 645 O PRO A 57 -3.443 8.175 -2.183 1.00 0.00 O ATOM 646 CB PRO A 57 -6.238 6.362 -2.727 1.00 0.00 C ATOM 647 CG PRO A 57 -6.497 5.254 -3.699 1.00 0.00 C ATOM 648 CD PRO A 57 -6.314 5.841 -5.064 1.00 0.00 C ATOM 0 HA PRO A 57 -5.607 8.373 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.784 5.982 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.166 6.857 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.808 4.425 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.505 4.858 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.968 5.098 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.244 6.254 -5.456 1.00 0.00 H new ATOM 656 N ALA A 58 -3.212 6.173 -3.199 1.00 0.00 N ATOM 657 CA ALA A 58 -1.838 5.938 -2.781 1.00 0.00 C ATOM 658 C ALA A 58 -0.909 7.043 -3.249 1.00 0.00 C ATOM 659 O ALA A 58 -0.064 7.522 -2.495 1.00 0.00 O ATOM 660 CB ALA A 58 -1.358 4.631 -3.350 1.00 0.00 C ATOM 0 H ALA A 58 -3.600 5.425 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.824 5.915 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.329 4.454 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.992 3.822 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.405 4.669 -4.438 1.00 0.00 H new ATOM 666 N ALA A 59 -1.042 7.429 -4.505 1.00 0.00 N ATOM 667 CA ALA A 59 -0.215 8.486 -5.039 1.00 0.00 C ATOM 668 C ALA A 59 -0.638 9.826 -4.477 1.00 0.00 C ATOM 669 O ALA A 59 0.144 10.528 -3.831 1.00 0.00 O ATOM 670 CB ALA A 59 -0.329 8.515 -6.541 1.00 0.00 C ATOM 0 H ALA A 59 -1.709 7.029 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 59 0.819 8.293 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.297 9.314 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.000 7.559 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.367 8.692 -6.824 1.00 0.00 H new ATOM 676 N LEU A 60 -1.892 10.153 -4.739 1.00 0.00 N ATOM 677 CA LEU A 60 -2.438 11.472 -4.440 1.00 0.00 C ATOM 678 C LEU A 60 -2.284 11.930 -2.978 1.00 0.00 C ATOM 679 O LEU A 60 -1.433 12.770 -2.678 1.00 0.00 O ATOM 680 CB LEU A 60 -3.879 11.549 -4.931 1.00 0.00 C ATOM 681 CG LEU A 60 -5.001 10.938 -4.118 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.612 12.026 -3.271 1.00 0.00 C ATOM 683 CD2 LEU A 60 -6.035 10.352 -5.050 1.00 0.00 C ATOM 0 H LEU A 60 -2.563 9.514 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.829 12.192 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.117 12.604 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.908 11.087 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.624 10.141 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.424 11.610 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.852 12.442 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.002 12.814 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.843 9.912 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.436 11.138 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.573 9.582 -5.668 1.00 0.00 H new ATOM 695 N ASP A 61 -3.079 11.389 -2.080 1.00 0.00 N ATOM 696 CA ASP A 61 -3.035 11.769 -0.670 1.00 0.00 C ATOM 697 C ASP A 61 -2.140 10.803 0.049 1.00 0.00 C ATOM 698 O ASP A 61 -1.704 11.019 1.180 1.00 0.00 O ATOM 699 CB ASP A 61 -4.446 11.735 -0.070 1.00 0.00 C ATOM 700 CG ASP A 61 -4.500 12.246 1.355 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.376 13.472 1.552 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.688 11.433 2.281 1.00 0.00 O ATOM 0 H ASP A 61 -3.774 10.675 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.648 12.783 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.112 12.335 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.821 10.712 -0.097 1.00 0.00 H new ATOM 707 N GLY A 62 -1.861 9.743 -0.675 1.00 0.00 N ATOM 708 CA GLY A 62 -1.259 8.553 -0.090 1.00 0.00 C ATOM 709 C GLY A 62 0.106 8.769 0.524 1.00 0.00 C ATOM 710 O GLY A 62 0.404 8.212 1.577 1.00 0.00 O ATOM 0 H GLY A 62 -2.040 9.675 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.929 8.163 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.178 7.787 -0.862 1.00 0.00 H new ATOM 714 N THR A 63 0.931 9.562 -0.142 1.00 0.00 N ATOM 715 CA THR A 63 2.316 9.813 0.273 1.00 0.00 C ATOM 716 C THR A 63 3.067 8.512 0.495 1.00 0.00 C ATOM 717 O THR A 63 3.923 8.384 1.372 1.00 0.00 O ATOM 718 CB THR A 63 2.390 10.722 1.512 1.00 0.00 C ATOM 719 OG1 THR A 63 1.699 10.151 2.633 1.00 0.00 O ATOM 720 CG2 THR A 63 1.767 12.046 1.153 1.00 0.00 C ATOM 0 H THR A 63 0.663 10.056 -0.993 1.00 0.00 H new ATOM 0 HA THR A 63 2.805 10.346 -0.542 1.00 0.00 H new ATOM 0 HB THR A 63 3.433 10.844 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.486 9.213 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.806 12.712 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.315 12.493 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.728 11.892 0.860 1.00 0.00 H new ATOM 728 N VAL A 64 2.717 7.557 -0.340 1.00 0.00 N ATOM 729 CA VAL A 64 3.340 6.239 -0.347 1.00 0.00 C ATOM 730 C VAL A 64 3.913 5.944 -1.704 1.00 0.00 C ATOM 731 O VAL A 64 3.632 4.930 -2.343 1.00 0.00 O ATOM 732 CB VAL A 64 2.394 5.132 0.111 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.164 5.331 1.576 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.077 5.149 -0.649 1.00 0.00 C ATOM 0 H VAL A 64 1.986 7.669 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 64 4.150 6.260 0.382 1.00 0.00 H new ATOM 0 HB VAL A 64 2.842 4.159 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.490 4.558 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.115 5.268 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.719 6.312 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.438 4.343 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.579 6.106 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.269 5.010 -1.713 1.00 0.00 H new ATOM 744 N ALA A 65 4.720 6.875 -2.120 1.00 0.00 N ATOM 745 CA ALA A 65 5.277 6.877 -3.456 1.00 0.00 C ATOM 746 C ALA A 65 6.525 6.016 -3.535 1.00 0.00 C ATOM 747 O ALA A 65 6.957 5.433 -2.541 1.00 0.00 O ATOM 748 CB ALA A 65 5.586 8.296 -3.894 1.00 0.00 C ATOM 0 H ALA A 65 5.017 7.663 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 65 4.534 6.452 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.004 8.283 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.669 8.886 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.307 8.740 -3.207 1.00 0.00 H new ATOM 754 N ALA A 66 7.102 5.951 -4.722 1.00 0.00 N ATOM 755 CA ALA A 66 8.218 5.065 -4.994 1.00 0.00 C ATOM 756 C ALA A 66 9.407 5.362 -4.088 1.00 0.00 C ATOM 757 O ALA A 66 9.899 6.492 -4.036 1.00 0.00 O ATOM 758 CB ALA A 66 8.610 5.181 -6.455 1.00 0.00 C ATOM 0 H ALA A 66 6.810 6.511 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 66 7.906 4.042 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.449 4.516 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.763 4.902 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.900 6.209 -6.673 1.00 0.00 H new ATOM 764 N GLY A 67 9.847 4.352 -3.354 1.00 0.00 N ATOM 765 CA GLY A 67 11.017 4.511 -2.522 1.00 0.00 C ATOM 766 C GLY A 67 10.757 4.240 -1.056 1.00 0.00 C ATOM 767 O GLY A 67 11.698 3.994 -0.300 1.00 0.00 O ATOM 0 H GLY A 67 9.415 3.428 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.798 3.838 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.397 5.526 -2.634 1.00 0.00 H new ATOM 771 N ASP A 68 9.498 4.271 -0.641 1.00 0.00 N ATOM 772 CA ASP A 68 9.177 4.101 0.768 1.00 0.00 C ATOM 773 C ASP A 68 9.123 2.626 1.128 1.00 0.00 C ATOM 774 O ASP A 68 8.690 1.797 0.331 1.00 0.00 O ATOM 775 CB ASP A 68 7.855 4.782 1.120 1.00 0.00 C ATOM 776 CG ASP A 68 7.945 6.299 1.079 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.361 6.903 2.091 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.610 6.897 0.040 1.00 0.00 O ATOM 0 H ASP A 68 8.692 4.410 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 68 9.967 4.575 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.084 4.449 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.544 4.468 2.116 1.00 0.00 H new ATOM 783 N GLU A 69 9.559 2.309 2.333 1.00 0.00 N ATOM 784 CA GLU A 69 9.681 0.923 2.758 1.00 0.00 C ATOM 785 C GLU A 69 8.434 0.472 3.507 1.00 0.00 C ATOM 786 O GLU A 69 8.285 0.725 4.704 1.00 0.00 O ATOM 787 CB GLU A 69 10.924 0.743 3.632 1.00 0.00 C ATOM 788 CG GLU A 69 12.215 1.121 2.925 1.00 0.00 C ATOM 789 CD GLU A 69 13.440 0.915 3.791 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.914 -0.237 3.892 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.947 1.905 4.359 1.00 0.00 O ATOM 0 H GLU A 69 9.836 2.993 3.038 1.00 0.00 H new ATOM 0 HA GLU A 69 9.785 0.301 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.819 1.350 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.985 -0.296 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.314 0.527 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.164 2.166 2.619 1.00 0.00 H new ATOM 798 N ILE A 70 7.537 -0.186 2.787 1.00 0.00 N ATOM 799 CA ILE A 70 6.293 -0.689 3.373 1.00 0.00 C ATOM 800 C ILE A 70 6.562 -1.942 4.204 1.00 0.00 C ATOM 801 O ILE A 70 7.340 -2.801 3.804 1.00 0.00 O ATOM 802 CB ILE A 70 5.229 -0.999 2.283 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.627 0.292 1.716 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.119 -1.890 2.829 1.00 0.00 C ATOM 805 CD1 ILE A 70 5.582 1.115 0.885 1.00 0.00 C ATOM 0 H ILE A 70 7.644 -0.387 1.793 1.00 0.00 H new ATOM 0 HA ILE A 70 5.898 0.095 4.019 1.00 0.00 H new ATOM 0 HB ILE A 70 5.737 -1.532 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.761 0.037 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.265 0.903 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.391 -2.088 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.545 -2.832 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.626 -1.388 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.073 2.009 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.438 1.405 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.926 0.526 0.035 1.00 0.00 H new ATOM 817 N THR A 71 5.930 -2.042 5.364 1.00 0.00 N ATOM 818 CA THR A 71 6.146 -3.188 6.229 1.00 0.00 C ATOM 819 C THR A 71 4.827 -3.849 6.645 1.00 0.00 C ATOM 820 O THR A 71 4.794 -5.045 6.942 1.00 0.00 O ATOM 821 CB THR A 71 6.960 -2.788 7.479 1.00 0.00 C ATOM 822 OG1 THR A 71 7.243 -3.939 8.286 1.00 0.00 O ATOM 823 CG2 THR A 71 6.217 -1.751 8.306 1.00 0.00 C ATOM 0 H THR A 71 5.271 -1.351 5.724 1.00 0.00 H new ATOM 0 HA THR A 71 6.717 -3.918 5.655 1.00 0.00 H new ATOM 0 HB THR A 71 7.899 -2.352 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.761 -3.668 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.813 -1.488 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.044 -0.860 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.260 -2.161 8.629 1.00 0.00 H new ATOM 831 N GLY A 72 3.733 -3.096 6.643 1.00 0.00 N ATOM 832 CA GLY A 72 2.478 -3.659 7.096 1.00 0.00 C ATOM 833 C GLY A 72 1.262 -3.054 6.429 1.00 0.00 C ATOM 834 O GLY A 72 1.244 -1.869 6.095 1.00 0.00 O ATOM 0 H GLY A 72 3.693 -2.123 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.485 -4.733 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.396 -3.521 8.174 1.00 0.00 H new ATOM 838 N VAL A 73 0.244 -3.881 6.243 1.00 0.00 N ATOM 839 CA VAL A 73 -1.017 -3.468 5.693 1.00 0.00 C ATOM 840 C VAL A 73 -2.108 -3.686 6.732 1.00 0.00 C ATOM 841 O VAL A 73 -2.251 -4.789 7.251 1.00 0.00 O ATOM 842 CB VAL A 73 -1.351 -4.283 4.421 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.751 -5.681 4.499 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.844 -4.396 4.266 1.00 0.00 C ATOM 0 H VAL A 73 0.282 -4.873 6.477 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.957 -2.413 5.425 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.925 -3.764 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.999 -6.235 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.332 -5.607 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.156 -6.203 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.074 -4.971 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.263 -4.900 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.277 -3.400 4.180 1.00 0.00 H new ATOM 854 N ASN A 74 -2.844 -2.633 7.062 1.00 0.00 N ATOM 855 CA ASN A 74 -3.982 -2.743 7.978 1.00 0.00 C ATOM 856 C ASN A 74 -3.573 -3.345 9.320 1.00 0.00 C ATOM 857 O ASN A 74 -4.403 -3.884 10.051 1.00 0.00 O ATOM 858 CB ASN A 74 -5.095 -3.582 7.338 1.00 0.00 C ATOM 859 CG ASN A 74 -5.842 -2.834 6.249 1.00 0.00 C ATOM 860 OD1 ASN A 74 -5.289 -1.961 5.580 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.107 -3.174 6.061 1.00 0.00 N ATOM 0 H ASN A 74 -2.677 -1.690 6.711 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.353 -1.736 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.663 -4.490 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.800 -3.891 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.659 -2.707 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.530 -3.903 6.636 1.00 0.00 H new ATOM 868 N GLY A 75 -2.287 -3.249 9.638 1.00 0.00 N ATOM 869 CA GLY A 75 -1.796 -3.760 10.899 1.00 0.00 C ATOM 870 C GLY A 75 -1.114 -5.111 10.779 1.00 0.00 C ATOM 871 O GLY A 75 -0.465 -5.557 11.723 1.00 0.00 O ATOM 0 H GLY A 75 -1.576 -2.825 9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.093 -3.043 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.629 -3.843 11.598 1.00 0.00 H new ATOM 875 N ARG A 76 -1.253 -5.779 9.639 1.00 0.00 N ATOM 876 CA ARG A 76 -0.614 -7.057 9.444 1.00 0.00 C ATOM 877 C ARG A 76 0.585 -6.928 8.509 1.00 0.00 C ATOM 878 O ARG A 76 0.501 -6.306 7.450 1.00 0.00 O ATOM 879 CB ARG A 76 -1.627 -8.062 8.905 1.00 0.00 C ATOM 880 CG ARG A 76 -2.224 -7.688 7.567 1.00 0.00 C ATOM 881 CD ARG A 76 -3.504 -8.459 7.290 1.00 0.00 C ATOM 882 NE ARG A 76 -4.542 -8.147 8.271 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.836 -8.415 8.109 1.00 0.00 C ATOM 884 NH1 ARG A 76 -6.265 -9.033 7.015 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.699 -8.071 9.054 1.00 0.00 N ATOM 0 H ARG A 76 -1.802 -5.451 8.844 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.243 -7.417 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.143 -9.035 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.433 -8.173 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.432 -6.618 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.500 -7.887 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.864 -8.220 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.296 -9.529 7.307 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.255 -7.693 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.601 -9.306 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.258 -9.234 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.370 -7.604 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.692 -8.273 8.936 1.00 0.00 H new ATOM 899 N SER A 77 1.703 -7.500 8.926 1.00 0.00 N ATOM 900 CA SER A 77 2.932 -7.479 8.143 1.00 0.00 C ATOM 901 C SER A 77 2.740 -8.173 6.801 1.00 0.00 C ATOM 902 O SER A 77 2.108 -9.229 6.707 1.00 0.00 O ATOM 903 CB SER A 77 4.054 -8.152 8.937 1.00 0.00 C ATOM 904 OG SER A 77 3.644 -9.416 9.434 1.00 0.00 O ATOM 0 H SER A 77 1.786 -7.992 9.816 1.00 0.00 H new ATOM 0 HA SER A 77 3.201 -6.442 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.930 -8.275 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.351 -7.511 9.767 1.00 0.00 H new ATOM 0 HG SER A 77 4.380 -9.825 9.936 1.00 0.00 H new ATOM 910 N ILE A 78 3.296 -7.567 5.761 1.00 0.00 N ATOM 911 CA ILE A 78 3.206 -8.115 4.416 1.00 0.00 C ATOM 912 C ILE A 78 4.182 -9.255 4.260 1.00 0.00 C ATOM 913 O ILE A 78 4.021 -10.151 3.435 1.00 0.00 O ATOM 914 CB ILE A 78 3.487 -7.055 3.332 1.00 0.00 C ATOM 915 CG1 ILE A 78 4.483 -5.978 3.791 1.00 0.00 C ATOM 916 CG2 ILE A 78 2.198 -6.382 2.967 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.858 -6.470 4.170 1.00 0.00 C ATOM 0 H ILE A 78 3.816 -6.692 5.824 1.00 0.00 H new ATOM 0 HA ILE A 78 2.184 -8.469 4.281 1.00 0.00 H new ATOM 0 HB ILE A 78 3.929 -7.574 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.588 -5.244 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.056 -5.457 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.385 -5.630 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.496 -7.123 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.775 -5.903 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.475 -5.625 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.777 -7.179 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.317 -6.962 3.313 1.00 0.00 H new ATOM 929 N LYS A 79 5.188 -9.186 5.093 1.00 0.00 N ATOM 930 CA LYS A 79 6.254 -10.167 5.140 1.00 0.00 C ATOM 931 C LYS A 79 5.722 -11.483 5.686 1.00 0.00 C ATOM 932 O LYS A 79 6.313 -12.544 5.484 1.00 0.00 O ATOM 933 CB LYS A 79 7.390 -9.630 6.014 1.00 0.00 C ATOM 934 CG LYS A 79 8.631 -10.515 6.055 1.00 0.00 C ATOM 935 CD LYS A 79 9.206 -10.755 4.665 1.00 0.00 C ATOM 936 CE LYS A 79 9.615 -9.457 3.981 1.00 0.00 C ATOM 937 NZ LYS A 79 10.702 -8.752 4.710 1.00 0.00 N ATOM 0 H LYS A 79 5.296 -8.434 5.773 1.00 0.00 H new ATOM 0 HA LYS A 79 6.638 -10.349 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.675 -8.643 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.019 -9.500 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.388 -10.049 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.379 -11.471 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.072 -11.413 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.467 -11.270 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.943 -9.673 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.748 -8.801 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.729 -7.755 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.525 -8.805 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.614 -9.202 4.493 1.00 0.00 H new ATOM 951 N GLY A 80 4.586 -11.399 6.365 1.00 0.00 N ATOM 952 CA GLY A 80 3.940 -12.583 6.876 1.00 0.00 C ATOM 953 C GLY A 80 3.323 -13.415 5.771 1.00 0.00 C ATOM 954 O GLY A 80 2.984 -14.583 5.980 1.00 0.00 O ATOM 0 H GLY A 80 4.101 -10.525 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.667 -13.186 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.166 -12.295 7.588 1.00 0.00 H new ATOM 958 N LYS A 81 3.169 -12.824 4.589 1.00 0.00 N ATOM 959 CA LYS A 81 2.636 -13.560 3.456 1.00 0.00 C ATOM 960 C LYS A 81 3.433 -13.251 2.189 1.00 0.00 C ATOM 961 O LYS A 81 4.651 -13.082 2.248 1.00 0.00 O ATOM 962 CB LYS A 81 1.132 -13.293 3.270 1.00 0.00 C ATOM 963 CG LYS A 81 0.750 -11.854 2.946 1.00 0.00 C ATOM 964 CD LYS A 81 0.838 -10.925 4.148 1.00 0.00 C ATOM 965 CE LYS A 81 -0.369 -11.042 5.080 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.497 -12.381 5.719 1.00 0.00 N ATOM 0 H LYS A 81 3.403 -11.850 4.396 1.00 0.00 H new ATOM 0 HA LYS A 81 2.743 -14.625 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.764 -13.936 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.614 -13.590 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.403 -11.480 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.267 -11.834 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.746 -11.149 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.923 -9.896 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.292 -10.282 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.277 -10.829 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.996 -12.286 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.034 -13.014 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.450 -12.779 5.884 1.00 0.00 H new ATOM 980 N THR A 82 2.756 -13.156 1.055 1.00 0.00 N ATOM 981 CA THR A 82 3.440 -13.089 -0.227 1.00 0.00 C ATOM 982 C THR A 82 2.820 -12.031 -1.123 1.00 0.00 C ATOM 983 O THR A 82 1.754 -11.504 -0.812 1.00 0.00 O ATOM 984 CB THR A 82 3.424 -14.451 -0.957 1.00 0.00 C ATOM 985 OG1 THR A 82 2.087 -14.964 -1.016 1.00 0.00 O ATOM 986 CG2 THR A 82 4.332 -15.458 -0.266 1.00 0.00 C ATOM 0 H THR A 82 1.738 -13.124 0.996 1.00 0.00 H new ATOM 0 HA THR A 82 4.475 -12.820 -0.016 1.00 0.00 H new ATOM 0 HB THR A 82 3.797 -14.293 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.864 -15.394 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.299 -16.406 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.355 -15.081 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.994 -15.610 0.759 1.00 0.00 H new ATOM 994 N LYS A 83 3.492 -11.740 -2.228 1.00 0.00 N ATOM 995 CA LYS A 83 3.076 -10.698 -3.163 1.00 0.00 C ATOM 996 C LYS A 83 1.600 -10.809 -3.541 1.00 0.00 C ATOM 997 O LYS A 83 0.840 -9.849 -3.416 1.00 0.00 O ATOM 998 CB LYS A 83 3.931 -10.774 -4.427 1.00 0.00 C ATOM 999 CG LYS A 83 5.008 -11.841 -4.362 1.00 0.00 C ATOM 1000 CD LYS A 83 5.822 -11.908 -5.639 1.00 0.00 C ATOM 1001 CE LYS A 83 6.593 -10.624 -5.880 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.481 -10.749 -7.056 1.00 0.00 N ATOM 0 H LYS A 83 4.347 -12.222 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 83 3.216 -9.739 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.285 -10.972 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.400 -9.805 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.670 -11.636 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.546 -12.811 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.518 -12.745 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.160 -12.099 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.895 -9.801 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.185 -10.380 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.853 -9.812 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.272 -11.385 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.944 -11.138 -7.857 1.00 0.00 H new ATOM 1016 N VAL A 84 1.202 -11.976 -4.010 1.00 0.00 N ATOM 1017 CA VAL A 84 -0.165 -12.208 -4.408 1.00 0.00 C ATOM 1018 C VAL A 84 -1.135 -12.022 -3.234 1.00 0.00 C ATOM 1019 O VAL A 84 -2.212 -11.442 -3.393 1.00 0.00 O ATOM 1020 CB VAL A 84 -0.303 -13.617 -5.009 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.176 -14.678 -4.037 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.727 -13.876 -5.415 1.00 0.00 C ATOM 0 H VAL A 84 1.816 -12.783 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.428 -11.470 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 84 0.328 -13.668 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.066 -15.663 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.225 -14.504 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.418 -14.630 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.808 -14.877 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.374 -13.798 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.032 -13.141 -6.160 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.734 -12.485 -2.056 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.580 -12.416 -0.874 1.00 0.00 C ATOM 1034 C GLU A 85 -1.690 -10.996 -0.331 1.00 0.00 C ATOM 1035 O GLU A 85 -2.739 -10.609 0.177 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.035 -13.330 0.218 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.889 -14.775 -0.215 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.453 -15.672 0.922 1.00 0.00 C ATOM 1039 OE1 GLU A 85 0.767 -15.776 1.161 1.00 0.00 O ATOM 1040 OE2 GLU A 85 -1.330 -16.269 1.587 1.00 0.00 O ATOM 0 H GLU A 85 0.177 -12.914 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.576 -12.743 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.063 -12.957 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.697 -13.284 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.840 -15.131 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.162 -14.838 -1.024 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.616 -10.224 -0.422 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.618 -8.876 0.134 1.00 0.00 C ATOM 1049 C VAL A 86 -1.551 -7.955 -0.652 1.00 0.00 C ATOM 1050 O VAL A 86 -2.348 -7.224 -0.063 1.00 0.00 O ATOM 1051 CB VAL A 86 0.802 -8.268 0.225 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.694 -9.125 1.099 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.456 -8.106 -1.121 1.00 0.00 C ATOM 0 H VAL A 86 0.258 -10.502 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.994 -8.963 1.153 1.00 0.00 H new ATOM 0 HB VAL A 86 0.679 -7.277 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.688 -8.681 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.271 -9.185 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.766 -10.126 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.449 -7.675 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.542 -9.080 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.851 -7.445 -1.742 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.460 -8.007 -1.977 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.409 -7.306 -2.843 1.00 0.00 C ATOM 1065 C ALA A 87 -3.830 -7.781 -2.559 1.00 0.00 C ATOM 1066 O ALA A 87 -4.776 -6.990 -2.562 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.069 -7.531 -4.306 1.00 0.00 C ATOM 0 H ALA A 87 -0.739 -8.527 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.341 -6.239 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.787 -7.001 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.065 -7.157 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.110 -8.597 -4.529 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.965 -9.080 -2.297 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.257 -9.665 -1.973 1.00 0.00 C ATOM 1075 C LYS A 88 -5.806 -9.082 -0.682 1.00 0.00 C ATOM 1076 O LYS A 88 -6.925 -8.602 -0.652 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.159 -11.175 -1.844 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.490 -11.827 -1.551 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.399 -13.328 -1.736 1.00 0.00 C ATOM 1080 CE LYS A 88 -7.760 -14.005 -1.671 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.425 -13.816 -0.358 1.00 0.00 N ATOM 0 H LYS A 88 -3.192 -9.745 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.936 -9.426 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.753 -11.588 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.456 -11.422 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.796 -11.599 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.255 -11.419 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.934 -13.545 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.751 -13.747 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.399 -13.606 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.642 -15.071 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.097 -14.593 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.709 -13.813 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.936 -12.910 -0.355 1.00 0.00 H new ATOM 1095 N MET A 89 -5.007 -9.129 0.377 1.00 0.00 N ATOM 1096 CA MET A 89 -5.393 -8.573 1.668 1.00 0.00 C ATOM 1097 C MET A 89 -5.866 -7.135 1.533 1.00 0.00 C ATOM 1098 O MET A 89 -6.870 -6.736 2.120 1.00 0.00 O ATOM 1099 CB MET A 89 -4.227 -8.647 2.622 1.00 0.00 C ATOM 1100 CG MET A 89 -3.925 -10.066 3.027 1.00 0.00 C ATOM 1101 SD MET A 89 -5.242 -10.806 4.007 1.00 0.00 S ATOM 1102 CE MET A 89 -4.612 -12.471 4.192 1.00 0.00 C ATOM 0 H MET A 89 -4.078 -9.551 0.366 1.00 0.00 H new ATOM 0 HA MET A 89 -6.223 -9.162 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.346 -8.207 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.446 -8.054 3.510 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.762 -10.667 2.133 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.997 -10.086 3.599 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.315 -13.063 4.779 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.488 -12.925 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.649 -12.441 4.702 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.140 -6.376 0.726 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.451 -4.979 0.490 1.00 0.00 C ATOM 1114 C ILE A 90 -6.793 -4.812 -0.215 1.00 0.00 C ATOM 1115 O ILE A 90 -7.621 -4.016 0.215 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.317 -4.308 -0.314 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.108 -4.110 0.609 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.769 -2.983 -0.926 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.834 -3.716 -0.101 1.00 0.00 C ATOM 0 H ILE A 90 -4.321 -6.712 0.219 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.533 -4.485 1.458 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.038 -4.955 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.351 -3.343 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.931 -5.035 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.944 -2.540 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.608 -3.160 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.077 -2.302 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.033 -3.598 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.562 -4.492 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.987 -2.774 -0.628 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.028 -5.569 -1.283 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.280 -5.463 -2.002 1.00 0.00 C ATOM 1133 C GLN A 91 -9.424 -6.108 -1.217 1.00 0.00 C ATOM 1134 O GLN A 91 -10.542 -5.595 -1.218 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.166 -6.089 -3.389 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.959 -7.589 -3.392 1.00 0.00 C ATOM 1137 CD GLN A 91 -8.281 -8.214 -4.731 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.119 -7.587 -5.779 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -8.761 -9.442 -4.705 1.00 0.00 N ATOM 0 H GLN A 91 -6.372 -6.253 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.505 -4.403 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.071 -5.860 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.335 -5.620 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.924 -7.811 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.586 -8.041 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.879 -9.925 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.014 -9.909 -5.576 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.115 -7.194 -0.515 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.117 -8.010 0.167 1.00 0.00 C ATOM 1150 C GLU A 92 -10.908 -7.205 1.189 1.00 0.00 C ATOM 1151 O GLU A 92 -12.140 -7.255 1.209 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.432 -9.179 0.867 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.390 -10.148 1.506 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.035 -11.065 0.490 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -10.388 -12.055 0.089 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -12.181 -10.800 0.077 1.00 0.00 O ATOM 0 H GLU A 92 -8.160 -7.535 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.816 -8.374 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.817 -9.714 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.759 -8.790 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.860 -10.745 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.164 -9.594 2.037 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.190 -6.488 2.046 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.814 -5.666 3.084 1.00 0.00 C ATOM 1165 C VAL A 93 -11.855 -4.713 2.496 1.00 0.00 C ATOM 1166 O VAL A 93 -12.889 -4.458 3.116 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.761 -4.863 3.884 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.716 -5.801 4.463 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.099 -3.792 3.026 1.00 0.00 C ATOM 0 H VAL A 93 -9.170 -6.457 2.045 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.317 -6.352 3.765 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.277 -4.357 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.980 -5.224 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.199 -6.518 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.218 -6.335 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.366 -3.249 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.601 -4.262 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.856 -3.098 2.662 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.576 -4.217 1.288 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.479 -3.324 0.556 1.00 0.00 C ATOM 1181 C LYS A 94 -12.672 -1.978 1.251 1.00 0.00 C ATOM 1182 O LYS A 94 -12.535 -1.850 2.469 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.846 -3.976 0.330 1.00 0.00 C ATOM 1184 CG LYS A 94 -13.818 -5.163 -0.614 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.218 -5.679 -0.891 1.00 0.00 C ATOM 1186 CE LYS A 94 -15.198 -6.873 -1.830 1.00 0.00 C ATOM 1187 NZ LYS A 94 -16.568 -7.348 -2.155 1.00 0.00 N ATOM 0 H LYS A 94 -10.712 -4.425 0.787 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.999 -3.141 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.246 -4.299 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.533 -3.227 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.342 -4.874 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.213 -5.960 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.695 -5.961 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.820 -4.882 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.680 -6.602 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.632 -7.684 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.509 -8.163 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.054 -7.631 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.101 -6.582 -2.615 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.943 -0.958 0.448 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.383 0.312 0.987 1.00 0.00 C ATOM 1203 C GLY A 95 -12.244 1.237 1.334 1.00 0.00 C ATOM 1204 O GLY A 95 -12.193 2.372 0.862 1.00 0.00 O ATOM 0 H GLY A 95 -12.866 -0.988 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.032 0.802 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.982 0.132 1.880 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.314 0.749 2.131 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.268 1.579 2.658 1.00 0.00 C ATOM 1210 C GLU A 96 -8.949 0.843 2.585 1.00 0.00 C ATOM 1211 O GLU A 96 -8.890 -0.314 2.164 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.569 1.939 4.107 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.475 0.734 5.017 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.762 1.048 6.468 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.821 1.411 7.204 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.932 0.919 6.886 1.00 0.00 O ATOM 0 H GLU A 96 -11.268 -0.227 2.425 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.208 2.493 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.870 2.704 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.569 2.368 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.176 -0.026 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.476 0.306 4.937 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.910 1.527 3.005 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.571 0.966 3.075 1.00 0.00 C ATOM 1225 C VAL A 97 -5.830 1.604 4.246 1.00 0.00 C ATOM 1226 O VAL A 97 -6.112 2.748 4.616 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.746 1.204 1.779 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.512 0.785 0.533 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.317 2.655 1.668 1.00 0.00 C ATOM 0 H VAL A 97 -7.966 2.498 3.312 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.678 -0.111 3.204 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.856 0.579 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.899 0.968 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.753 -0.276 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.434 1.363 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.741 2.795 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.199 3.294 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.701 2.919 2.528 1.00 0.00 H new ATOM 1239 N THR A 98 -4.906 0.873 4.835 1.00 0.00 N ATOM 1240 CA THR A 98 -4.078 1.415 5.894 1.00 0.00 C ATOM 1241 C THR A 98 -2.630 0.967 5.712 1.00 0.00 C ATOM 1242 O THR A 98 -2.277 -0.177 6.005 1.00 0.00 O ATOM 1243 CB THR A 98 -4.592 0.983 7.277 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.982 1.319 7.414 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.798 1.656 8.381 1.00 0.00 C ATOM 0 H THR A 98 -4.709 -0.099 4.598 1.00 0.00 H new ATOM 0 HA THR A 98 -4.127 2.502 5.837 1.00 0.00 H new ATOM 0 HB THR A 98 -4.468 -0.097 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.301 1.039 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.179 1.336 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.747 1.379 8.294 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.896 2.738 8.292 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.798 1.875 5.230 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.415 1.552 4.915 1.00 0.00 C ATOM 1255 C ILE A 99 0.507 1.881 6.075 1.00 0.00 C ATOM 1256 O ILE A 99 0.450 2.971 6.637 1.00 0.00 O ATOM 1257 CB ILE A 99 0.107 2.285 3.653 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.514 3.684 3.504 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.133 1.446 2.404 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.870 3.700 2.826 1.00 0.00 C ATOM 0 H ILE A 99 -2.056 2.845 5.048 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.407 0.480 4.719 1.00 0.00 H new ATOM 0 HB ILE A 99 1.181 2.421 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.611 4.132 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.170 4.313 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.241 1.979 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.389 0.494 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.201 1.263 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.233 4.726 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.780 3.285 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.573 3.101 3.405 1.00 0.00 H new ATOM 1272 N HIS A 100 1.333 0.916 6.444 1.00 0.00 N ATOM 1273 CA HIS A 100 2.361 1.128 7.451 1.00 0.00 C ATOM 1274 C HIS A 100 3.732 0.992 6.805 1.00 0.00 C ATOM 1275 O HIS A 100 4.066 -0.059 6.251 1.00 0.00 O ATOM 1276 CB HIS A 100 2.226 0.122 8.600 1.00 0.00 C ATOM 1277 CG HIS A 100 1.074 0.384 9.526 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.169 0.255 10.894 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.206 0.754 9.278 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.004 0.530 11.445 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.848 0.837 10.488 1.00 0.00 N ATOM 0 H HIS A 100 1.311 -0.028 6.059 1.00 0.00 H new ATOM 0 HA HIS A 100 2.242 2.130 7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.117 -0.878 8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.149 0.126 9.179 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.640 0.948 8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.215 0.508 12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.826 1.094 10.624 1.00 0.00 H new ATOM 1290 N TYR A 101 4.517 2.054 6.864 1.00 0.00 N ATOM 1291 CA TYR A 101 5.814 2.082 6.210 1.00 0.00 C ATOM 1292 C TYR A 101 6.837 2.823 7.063 1.00 0.00 C ATOM 1293 O TYR A 101 6.487 3.688 7.862 1.00 0.00 O ATOM 1294 CB TYR A 101 5.695 2.722 4.816 1.00 0.00 C ATOM 1295 CG TYR A 101 4.969 4.054 4.788 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.580 4.112 4.834 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.670 5.249 4.708 1.00 0.00 C ATOM 1298 CE1 TYR A 101 2.913 5.322 4.801 1.00 0.00 C ATOM 1299 CE2 TYR A 101 5.008 6.463 4.674 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.633 6.494 4.721 1.00 0.00 C ATOM 1301 OH TYR A 101 2.974 7.702 4.684 1.00 0.00 O ATOM 0 H TYR A 101 4.277 2.912 7.361 1.00 0.00 H new ATOM 0 HA TYR A 101 6.161 1.056 6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.696 2.861 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.176 2.027 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.013 3.195 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.749 5.231 4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.834 5.349 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.569 7.384 4.611 1.00 0.00 H new ATOM 0 HH TYR A 101 3.628 8.430 4.629 1.00 0.00 H new ATOM 1311 N ASN A 102 8.103 2.485 6.880 1.00 0.00 N ATOM 1312 CA ASN A 102 9.180 3.036 7.688 1.00 0.00 C ATOM 1313 C ASN A 102 10.383 3.276 6.791 1.00 0.00 C ATOM 1314 O ASN A 102 10.272 3.141 5.572 1.00 0.00 O ATOM 1315 CB ASN A 102 9.541 2.094 8.851 1.00 0.00 C ATOM 1316 CG ASN A 102 8.361 1.799 9.754 1.00 0.00 C ATOM 1317 OD1 ASN A 102 7.638 0.826 9.556 1.00 0.00 O ATOM 1318 ND2 ASN A 102 8.154 2.644 10.750 1.00 0.00 N ATOM 0 H ASN A 102 8.413 1.823 6.169 1.00 0.00 H new ATOM 0 HA ASN A 102 8.857 3.979 8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.927 1.158 8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.341 2.542 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.371 2.499 11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.777 3.441 10.881 1.00 0.00 H new ATOM 1325 N LYS A 103 11.523 3.630 7.368 1.00 0.00 N ATOM 1326 CA LYS A 103 12.685 4.020 6.574 1.00 0.00 C ATOM 1327 C LYS A 103 13.948 3.622 7.303 1.00 0.00 C ATOM 1328 O LYS A 103 14.406 4.326 8.204 1.00 0.00 O ATOM 1329 CB LYS A 103 12.697 5.530 6.285 1.00 0.00 C ATOM 1330 CG LYS A 103 11.530 6.010 5.435 1.00 0.00 C ATOM 1331 CD LYS A 103 10.352 6.442 6.281 1.00 0.00 C ATOM 1332 CE LYS A 103 9.218 6.891 5.393 1.00 0.00 C ATOM 1333 NZ LYS A 103 8.008 7.278 6.167 1.00 0.00 N ATOM 0 H LYS A 103 11.670 3.656 8.377 1.00 0.00 H new ATOM 0 HA LYS A 103 12.631 3.503 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.689 6.070 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.629 5.785 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.854 6.844 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.219 5.211 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.025 5.616 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.649 7.254 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.546 7.738 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.962 6.088 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.170 6.823 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.115 6.971 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.892 8.311 6.136 1.00 0.00 H new ATOM 1347 N LEU A 104 14.511 2.498 6.915 1.00 0.00 N ATOM 1348 CA LEU A 104 15.580 1.904 7.681 1.00 0.00 C ATOM 1349 C LEU A 104 16.897 1.958 6.924 1.00 0.00 C ATOM 1350 O LEU A 104 16.961 2.481 5.811 1.00 0.00 O ATOM 1351 CB LEU A 104 15.206 0.469 8.049 1.00 0.00 C ATOM 1352 CG LEU A 104 15.864 -0.082 9.316 1.00 0.00 C ATOM 1353 CD1 LEU A 104 16.385 1.050 10.195 1.00 0.00 C ATOM 1354 CD2 LEU A 104 14.859 -0.922 10.081 1.00 0.00 C ATOM 0 H LEU A 104 14.246 1.980 6.077 1.00 0.00 H new ATOM 0 HA LEU A 104 15.719 2.477 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.124 0.414 8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.467 -0.181 7.214 1.00 0.00 H new ATOM 0 HG LEU A 104 16.713 -0.702 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 104 16.848 0.633 11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 104 17.123 1.630 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.557 1.697 10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.326 -1.315 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.003 -0.306 10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.525 -1.750 9.455 1.00 0.00 H new ATOM 1366 N GLN A 105 17.942 1.414 7.526 1.00 0.00 N ATOM 1367 CA GLN A 105 19.270 1.525 6.974 1.00 0.00 C ATOM 1368 C GLN A 105 19.710 0.217 6.339 1.00 0.00 C ATOM 1369 O GLN A 105 19.559 0.015 5.132 1.00 0.00 O ATOM 1370 CB GLN A 105 20.265 1.980 8.051 1.00 0.00 C ATOM 1371 CG GLN A 105 20.006 3.388 8.564 1.00 0.00 C ATOM 1372 CD GLN A 105 19.991 4.420 7.455 1.00 0.00 C ATOM 1373 OE1 GLN A 105 18.942 4.721 6.883 1.00 0.00 O ATOM 1374 NE2 GLN A 105 21.154 4.966 7.141 1.00 0.00 N ATOM 0 H GLN A 105 17.889 0.891 8.400 1.00 0.00 H new ATOM 0 HA GLN A 105 19.250 2.281 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.224 1.284 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 105 21.275 1.931 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.050 3.410 9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.774 3.653 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.999 4.688 7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.206 5.665 6.400 1.00 0.00 H new ATOM 1383 N ALA A 106 20.228 -0.658 7.175 1.00 0.00 N ATOM 1384 CA ALA A 106 20.718 -1.974 6.772 1.00 0.00 C ATOM 1385 C ALA A 106 21.829 -1.890 5.727 1.00 0.00 C ATOM 1386 O ALA A 106 22.289 -0.808 5.354 1.00 0.00 O ATOM 1387 CB ALA A 106 19.580 -2.850 6.263 1.00 0.00 C ATOM 0 H ALA A 106 20.325 -0.478 8.174 1.00 0.00 H new ATOM 0 HA ALA A 106 21.145 -2.432 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 106 19.973 -3.823 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 106 18.840 -2.980 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 106 19.111 -2.374 5.402 1.00 0.00 H new ATOM 1393 N ASP A 107 22.264 -3.059 5.293 1.00 0.00 N ATOM 1394 CA ASP A 107 23.308 -3.211 4.289 1.00 0.00 C ATOM 1395 C ASP A 107 23.366 -4.681 3.952 1.00 0.00 C ATOM 1396 O ASP A 107 23.018 -5.462 4.808 1.00 0.00 O ATOM 1397 CB ASP A 107 24.654 -2.726 4.859 1.00 0.00 C ATOM 1398 CG ASP A 107 25.835 -2.989 3.945 1.00 0.00 C ATOM 1399 OD1 ASP A 107 26.145 -2.120 3.104 1.00 0.00 O ATOM 1400 OD2 ASP A 107 26.465 -4.063 4.070 1.00 0.00 O ATOM 0 H ASP A 107 21.896 -3.948 5.633 1.00 0.00 H new ATOM 0 HA ASP A 107 23.099 -2.620 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 107 24.590 -1.656 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 107 24.831 -3.217 5.816 1.00 0.00 H new ATOM 1405 N PRO A 108 23.765 -5.084 2.726 1.00 0.00 N ATOM 1406 CA PRO A 108 23.855 -6.495 2.320 1.00 0.00 C ATOM 1407 C PRO A 108 24.173 -7.458 3.470 1.00 0.00 C ATOM 1408 O PRO A 108 23.491 -8.468 3.649 1.00 0.00 O ATOM 1409 CB PRO A 108 25.006 -6.440 1.330 1.00 0.00 C ATOM 1410 CG PRO A 108 24.812 -5.140 0.618 1.00 0.00 C ATOM 1411 CD PRO A 108 24.136 -4.204 1.600 1.00 0.00 C ATOM 0 HA PRO A 108 22.912 -6.878 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 108 25.970 -6.477 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 108 24.977 -7.282 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 108 25.768 -4.732 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 108 24.199 -5.274 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 108 24.807 -3.407 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 108 23.260 -3.727 1.160 1.00 0.00 H new ATOM 1419 N LYS A 109 25.178 -7.111 4.266 1.00 0.00 N ATOM 1420 CA LYS A 109 25.561 -7.909 5.434 1.00 0.00 C ATOM 1421 C LYS A 109 24.399 -8.069 6.421 1.00 0.00 C ATOM 1422 O LYS A 109 24.081 -9.170 6.855 1.00 0.00 O ATOM 1423 CB LYS A 109 26.749 -7.259 6.150 1.00 0.00 C ATOM 1424 CG LYS A 109 26.505 -5.812 6.565 1.00 0.00 C ATOM 1425 CD LYS A 109 27.674 -5.241 7.356 1.00 0.00 C ATOM 1426 CE LYS A 109 28.947 -5.175 6.521 1.00 0.00 C ATOM 1427 NZ LYS A 109 28.843 -4.192 5.408 1.00 0.00 N ATOM 0 H LYS A 109 25.748 -6.277 4.126 1.00 0.00 H new ATOM 0 HA LYS A 109 25.840 -8.899 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 109 26.991 -7.845 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.620 -7.297 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 109 26.337 -5.203 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 109 25.598 -5.755 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 109 27.420 -4.242 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 109 27.850 -5.856 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 109 29.786 -4.906 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 109 29.162 -6.162 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 29.732 -4.183 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 28.060 -4.461 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 28.664 -3.244 5.797 1.00 0.00 H new ATOM 1441 N GLN A 110 23.775 -6.954 6.756 1.00 0.00 N ATOM 1442 CA GLN A 110 22.692 -6.902 7.721 1.00 0.00 C ATOM 1443 C GLN A 110 21.356 -7.194 7.053 1.00 0.00 C ATOM 1444 O GLN A 110 20.341 -7.419 7.709 1.00 0.00 O ATOM 1445 CB GLN A 110 22.668 -5.518 8.344 1.00 0.00 C ATOM 1446 CG GLN A 110 23.807 -5.257 9.303 1.00 0.00 C ATOM 1447 CD GLN A 110 23.861 -6.262 10.434 1.00 0.00 C ATOM 1448 OE1 GLN A 110 23.242 -6.071 11.477 1.00 0.00 O ATOM 1449 NE2 GLN A 110 24.612 -7.335 10.243 1.00 0.00 N ATOM 0 H GLN A 110 24.011 -6.045 6.359 1.00 0.00 H new ATOM 0 HA GLN A 110 22.855 -7.659 8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 110 22.697 -4.772 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 110 21.724 -5.384 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 110 24.750 -5.281 8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 110 23.704 -4.254 9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 110 25.111 -7.458 9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 110 24.692 -8.039 10.977 1.00 0.00 H new ATOM 1458 N LEU A 111 21.387 -7.196 5.739 1.00 0.00 N ATOM 1459 CA LEU A 111 20.206 -7.368 4.926 1.00 0.00 C ATOM 1460 C LEU A 111 19.849 -8.849 4.870 1.00 0.00 C ATOM 1461 O LEU A 111 18.692 -9.227 5.037 1.00 0.00 O ATOM 1462 CB LEU A 111 20.486 -6.771 3.533 1.00 0.00 C ATOM 1463 CG LEU A 111 19.357 -6.849 2.494 1.00 0.00 C ATOM 1464 CD1 LEU A 111 19.307 -8.223 1.843 1.00 0.00 C ATOM 1465 CD2 LEU A 111 18.015 -6.506 3.127 1.00 0.00 C ATOM 0 H LEU A 111 22.244 -7.077 5.199 1.00 0.00 H new ATOM 0 HA LEU A 111 19.348 -6.846 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.753 -5.722 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 111 21.360 -7.274 3.120 1.00 0.00 H new ATOM 0 HG LEU A 111 19.567 -6.115 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.499 -8.250 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 111 20.255 -8.424 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 111 19.131 -8.981 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.231 -6.568 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.801 -7.210 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.051 -5.494 3.531 1.00 0.00 H new ATOM 1477 N GLU A 112 20.860 -9.687 4.679 1.00 0.00 N ATOM 1478 CA GLU A 112 20.663 -11.129 4.690 1.00 0.00 C ATOM 1479 C GLU A 112 20.335 -11.606 6.105 1.00 0.00 C ATOM 1480 O GLU A 112 19.752 -12.671 6.294 1.00 0.00 O ATOM 1481 CB GLU A 112 21.907 -11.836 4.170 1.00 0.00 C ATOM 1482 CG GLU A 112 23.163 -11.430 4.908 1.00 0.00 C ATOM 1483 CD GLU A 112 24.355 -12.285 4.550 1.00 0.00 C ATOM 1484 OE1 GLU A 112 24.938 -12.073 3.467 1.00 0.00 O ATOM 1485 OE2 GLU A 112 24.716 -13.179 5.342 1.00 0.00 O ATOM 0 H GLU A 112 21.823 -9.393 4.515 1.00 0.00 H new ATOM 0 HA GLU A 112 19.826 -11.372 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 112 21.771 -12.914 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.027 -11.617 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.389 -10.387 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.985 -11.494 5.981 1.00 0.00 H new ATOM 1492 N VAL A 113 20.721 -10.803 7.093 1.00 0.00 N ATOM 1493 CA VAL A 113 20.359 -11.056 8.484 1.00 0.00 C ATOM 1494 C VAL A 113 18.846 -10.959 8.644 1.00 0.00 C ATOM 1495 O VAL A 113 18.234 -11.696 9.418 1.00 0.00 O ATOM 1496 CB VAL A 113 21.051 -10.046 9.427 1.00 0.00 C ATOM 1497 CG1 VAL A 113 20.585 -10.211 10.865 1.00 0.00 C ATOM 1498 CG2 VAL A 113 22.558 -10.197 9.339 1.00 0.00 C ATOM 0 H VAL A 113 21.288 -9.967 6.954 1.00 0.00 H new ATOM 0 HA VAL A 113 20.693 -12.058 8.752 1.00 0.00 H new ATOM 0 HB VAL A 113 20.773 -9.043 9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 113 21.094 -9.484 11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 113 19.508 -10.049 10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 113 20.819 -11.218 11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 113 23.035 -9.480 10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 113 22.840 -11.209 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 113 22.883 -10.010 8.316 1.00 0.00 H new ATOM 1508 N LEU A 114 18.253 -10.047 7.889 1.00 0.00 N ATOM 1509 CA LEU A 114 16.810 -9.908 7.834 1.00 0.00 C ATOM 1510 C LEU A 114 16.219 -11.007 6.964 1.00 0.00 C ATOM 1511 O LEU A 114 15.081 -11.438 7.161 1.00 0.00 O ATOM 1512 CB LEU A 114 16.440 -8.540 7.265 1.00 0.00 C ATOM 1513 CG LEU A 114 16.918 -7.339 8.082 1.00 0.00 C ATOM 1514 CD1 LEU A 114 16.563 -6.039 7.377 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.313 -7.368 9.477 1.00 0.00 C ATOM 0 H LEU A 114 18.759 -9.385 7.300 1.00 0.00 H new ATOM 0 HA LEU A 114 16.405 -9.994 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 114 16.851 -8.460 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 114 15.355 -8.486 7.171 1.00 0.00 H new ATOM 0 HG LEU A 114 18.003 -7.397 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.911 -5.195 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 114 17.042 -6.014 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.482 -5.975 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 114 16.664 -6.506 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 114 15.226 -7.335 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 114 16.614 -8.284 9.985 1.00 0.00 H new ATOM 1527 N PHE A 115 17.019 -11.475 6.016 1.00 0.00 N ATOM 1528 CA PHE A 115 16.594 -12.507 5.080 1.00 0.00 C ATOM 1529 C PHE A 115 16.902 -13.896 5.650 1.00 0.00 C ATOM 1530 O PHE A 115 17.293 -14.814 4.929 1.00 0.00 O ATOM 1531 CB PHE A 115 17.290 -12.297 3.730 1.00 0.00 C ATOM 1532 CG PHE A 115 16.737 -13.133 2.609 1.00 0.00 C ATOM 1533 CD1 PHE A 115 15.373 -13.193 2.375 1.00 0.00 C ATOM 1534 CD2 PHE A 115 17.586 -13.854 1.787 1.00 0.00 C ATOM 1535 CE1 PHE A 115 14.867 -13.959 1.344 1.00 0.00 C ATOM 1536 CE2 PHE A 115 17.086 -14.620 0.754 1.00 0.00 C ATOM 1537 CZ PHE A 115 15.725 -14.674 0.533 1.00 0.00 C ATOM 0 H PHE A 115 17.976 -11.152 5.874 1.00 0.00 H new ATOM 0 HA PHE A 115 15.517 -12.438 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.212 -11.245 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 115 18.351 -12.519 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 115 14.698 -12.634 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 115 18.652 -13.817 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 115 13.801 -13.999 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 115 17.759 -15.177 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 115 15.332 -15.275 -0.274 1.00 0.00 H new ATOM 1547 N GLN A 116 16.744 -14.028 6.961 1.00 0.00 N ATOM 1548 CA GLN A 116 16.984 -15.292 7.644 1.00 0.00 C ATOM 1549 C GLN A 116 15.899 -16.306 7.324 1.00 0.00 C ATOM 1550 O GLN A 116 14.949 -16.511 8.084 1.00 0.00 O ATOM 1551 CB GLN A 116 17.094 -15.076 9.147 1.00 0.00 C ATOM 1552 CG GLN A 116 16.084 -14.082 9.702 1.00 0.00 C ATOM 1553 CD GLN A 116 16.169 -13.938 11.205 1.00 0.00 C ATOM 1554 OE1 GLN A 116 15.483 -14.643 11.945 1.00 0.00 O ATOM 1555 NE2 GLN A 116 17.011 -13.025 11.665 1.00 0.00 N ATOM 0 H GLN A 116 16.449 -13.269 7.576 1.00 0.00 H new ATOM 0 HA GLN A 116 17.931 -15.694 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 116 16.963 -16.033 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 116 18.100 -14.727 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 116 16.246 -13.109 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 116 15.078 -14.402 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 116 17.560 -12.463 11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 116 17.111 -12.884 12.670 1.00 0.00 H new ATOM 1564 N GLY A 117 16.063 -16.930 6.182 1.00 0.00 N ATOM 1565 CA GLY A 117 15.123 -17.904 5.691 1.00 0.00 C ATOM 1566 C GLY A 117 15.105 -17.855 4.188 1.00 0.00 C ATOM 1567 O GLY A 117 14.039 -17.760 3.579 1.00 0.00 O ATOM 0 H GLY A 117 16.859 -16.774 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.402 -18.901 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.128 -17.699 6.086 1.00 0.00 H new ATOM 1571 N PRO A 118 16.301 -17.909 3.570 1.00 0.00 N ATOM 1572 CA PRO A 118 16.495 -17.613 2.157 1.00 0.00 C ATOM 1573 C PRO A 118 15.551 -18.379 1.234 1.00 0.00 C ATOM 1574 O PRO A 118 15.660 -19.597 1.074 1.00 0.00 O ATOM 1575 CB PRO A 118 17.950 -18.012 1.898 1.00 0.00 C ATOM 1576 CG PRO A 118 18.360 -18.823 3.068 1.00 0.00 C ATOM 1577 CD PRO A 118 17.577 -18.273 4.203 1.00 0.00 C ATOM 0 HA PRO A 118 16.279 -16.566 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.040 -18.584 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.584 -17.132 1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.143 -19.880 2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 118 19.432 -18.741 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.440 -19.009 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.067 -17.409 4.652 1.00 0.00 H new ATOM 1585 N GLN A 119 14.626 -17.650 0.634 1.00 0.00 N ATOM 1586 CA GLN A 119 13.666 -18.220 -0.295 1.00 0.00 C ATOM 1587 C GLN A 119 13.562 -17.338 -1.532 1.00 0.00 C ATOM 1588 O GLN A 119 13.569 -16.114 -1.427 1.00 0.00 O ATOM 1589 CB GLN A 119 12.297 -18.356 0.376 1.00 0.00 C ATOM 1590 CG GLN A 119 11.784 -17.056 0.979 1.00 0.00 C ATOM 1591 CD GLN A 119 10.411 -17.192 1.605 1.00 0.00 C ATOM 1592 OE1 GLN A 119 9.631 -16.240 1.628 1.00 0.00 O ATOM 1593 NE2 GLN A 119 10.103 -18.372 2.119 1.00 0.00 N ATOM 0 H GLN A 119 14.519 -16.646 0.777 1.00 0.00 H new ATOM 0 HA GLN A 119 14.005 -19.212 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.576 -18.716 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.359 -19.111 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.489 -16.710 1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 119 11.749 -16.292 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.777 -19.137 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.192 -18.517 2.554 1.00 0.00 H new ATOM 1602 N PHE A 120 13.490 -17.953 -2.699 1.00 0.00 N ATOM 1603 CA PHE A 120 13.397 -17.204 -3.943 1.00 0.00 C ATOM 1604 C PHE A 120 12.233 -17.698 -4.787 1.00 0.00 C ATOM 1605 O PHE A 120 12.343 -18.695 -5.500 1.00 0.00 O ATOM 1606 CB PHE A 120 14.707 -17.296 -4.732 1.00 0.00 C ATOM 1607 CG PHE A 120 15.839 -16.534 -4.104 1.00 0.00 C ATOM 1608 CD1 PHE A 120 16.649 -17.126 -3.150 1.00 0.00 C ATOM 1609 CD2 PHE A 120 16.087 -15.218 -4.464 1.00 0.00 C ATOM 1610 CE1 PHE A 120 17.686 -16.422 -2.568 1.00 0.00 C ATOM 1611 CE2 PHE A 120 17.122 -14.510 -3.885 1.00 0.00 C ATOM 1612 CZ PHE A 120 17.922 -15.114 -2.935 1.00 0.00 C ATOM 0 H PHE A 120 13.494 -18.967 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 120 13.219 -16.158 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.993 -18.344 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 120 14.541 -16.919 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 120 16.468 -18.150 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 120 15.464 -14.741 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 120 18.311 -16.896 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 120 17.305 -13.486 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 120 18.731 -14.562 -2.480 1.00 0.00 H new ATOM 1622 N THR A 121 11.112 -17.007 -4.684 1.00 0.00 N ATOM 1623 CA THR A 121 9.934 -17.349 -5.457 1.00 0.00 C ATOM 1624 C THR A 121 9.837 -16.477 -6.705 1.00 0.00 C ATOM 1625 O THR A 121 9.295 -15.372 -6.660 1.00 0.00 O ATOM 1626 CB THR A 121 8.654 -17.197 -4.609 1.00 0.00 C ATOM 1627 OG1 THR A 121 8.622 -15.905 -3.983 1.00 0.00 O ATOM 1628 CG2 THR A 121 8.586 -18.280 -3.545 1.00 0.00 C ATOM 0 H THR A 121 10.994 -16.202 -4.069 1.00 0.00 H new ATOM 0 HA THR A 121 10.027 -18.391 -5.762 1.00 0.00 H new ATOM 0 HB THR A 121 7.794 -17.297 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.839 -15.215 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.676 -18.156 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.579 -19.260 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.454 -18.202 -2.891 1.00 0.00 H new ATOM 1636 N LEU A 122 10.387 -16.966 -7.813 1.00 0.00 N ATOM 1637 CA LEU A 122 10.351 -16.228 -9.070 1.00 0.00 C ATOM 1638 C LEU A 122 8.908 -15.962 -9.479 1.00 0.00 C ATOM 1639 O LEU A 122 8.185 -16.875 -9.885 1.00 0.00 O ATOM 1640 CB LEU A 122 11.077 -17.001 -10.175 1.00 0.00 C ATOM 1641 CG LEU A 122 11.141 -16.292 -11.530 1.00 0.00 C ATOM 1642 CD1 LEU A 122 11.956 -15.011 -11.432 1.00 0.00 C ATOM 1643 CD2 LEU A 122 11.724 -17.217 -12.586 1.00 0.00 C ATOM 0 H LEU A 122 10.861 -17.867 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 122 10.862 -15.276 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.094 -17.209 -9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.582 -17.963 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 122 10.126 -16.026 -11.825 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.988 -14.524 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.495 -14.341 -10.707 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.971 -15.249 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.763 -16.698 -13.543 1.00 0.00 H new ATOM 0 HD22 LEU A 122 12.731 -17.514 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.097 -18.104 -12.679 1.00 0.00 H new ATOM 1655 N ARG A 123 8.495 -14.712 -9.348 1.00 0.00 N ATOM 1656 CA ARG A 123 7.125 -14.321 -9.613 1.00 0.00 C ATOM 1657 C ARG A 123 7.082 -12.838 -9.964 1.00 0.00 C ATOM 1658 O ARG A 123 7.892 -12.056 -9.462 1.00 0.00 O ATOM 1659 CB ARG A 123 6.259 -14.587 -8.377 1.00 0.00 C ATOM 1660 CG ARG A 123 4.761 -14.479 -8.627 1.00 0.00 C ATOM 1661 CD ARG A 123 4.177 -15.777 -9.173 1.00 0.00 C ATOM 1662 NE ARG A 123 4.751 -16.164 -10.464 1.00 0.00 N ATOM 1663 CZ ARG A 123 5.088 -17.414 -10.783 1.00 0.00 C ATOM 1664 NH1 ARG A 123 4.959 -18.392 -9.891 1.00 0.00 N ATOM 1665 NH2 ARG A 123 5.568 -17.685 -11.990 1.00 0.00 N ATOM 0 H ARG A 123 9.099 -13.944 -9.056 1.00 0.00 H new ATOM 0 HA ARG A 123 6.737 -14.904 -10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 123 6.482 -15.585 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.537 -13.881 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.256 -14.218 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 123 4.569 -13.670 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 123 4.346 -16.577 -8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 123 3.098 -15.667 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 123 4.902 -15.434 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.601 -18.187 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.218 -19.347 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 123 5.679 -16.937 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 123 5.826 -18.641 -12.233 1.00 0.00 H new ATOM 1679 N HIS A 124 6.146 -12.459 -10.824 1.00 0.00 N ATOM 1680 CA HIS A 124 5.969 -11.061 -11.211 1.00 0.00 C ATOM 1681 C HIS A 124 5.685 -10.202 -9.985 1.00 0.00 C ATOM 1682 O HIS A 124 5.055 -10.657 -9.028 1.00 0.00 O ATOM 1683 CB HIS A 124 4.827 -10.927 -12.223 1.00 0.00 C ATOM 1684 CG HIS A 124 5.118 -11.569 -13.543 1.00 0.00 C ATOM 1685 ND1 HIS A 124 4.433 -12.666 -14.021 1.00 0.00 N ATOM 1686 CD2 HIS A 124 6.029 -11.257 -14.494 1.00 0.00 C ATOM 1687 CE1 HIS A 124 4.913 -13.000 -15.203 1.00 0.00 C ATOM 1688 NE2 HIS A 124 5.879 -12.162 -15.512 1.00 0.00 N ATOM 0 H HIS A 124 5.493 -13.103 -11.271 1.00 0.00 H new ATOM 0 HA HIS A 124 6.892 -10.714 -11.676 1.00 0.00 H new ATOM 0 HB2 HIS A 124 3.926 -11.373 -11.802 1.00 0.00 H new ATOM 0 HB3 HIS A 124 4.615 -9.870 -12.381 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.741 -10.446 -14.457 1.00 0.00 H new ATOM 0 HE1 HIS A 124 4.571 -13.822 -15.814 1.00 0.00 H new ATOM 0 HE2 HIS A 124 6.428 -12.183 -16.371 1.00 0.00 H new ATOM 1697 N TRP A 125 6.176 -8.973 -10.000 1.00 0.00 N ATOM 1698 CA TRP A 125 5.973 -8.057 -8.889 1.00 0.00 C ATOM 1699 C TRP A 125 4.551 -7.514 -8.917 1.00 0.00 C ATOM 1700 O TRP A 125 3.965 -7.337 -9.987 1.00 0.00 O ATOM 1701 CB TRP A 125 7.006 -6.932 -8.930 1.00 0.00 C ATOM 1702 CG TRP A 125 8.409 -7.434 -8.750 1.00 0.00 C ATOM 1703 CD1 TRP A 125 8.985 -7.863 -7.588 1.00 0.00 C ATOM 1704 CD2 TRP A 125 9.413 -7.562 -9.763 1.00 0.00 C ATOM 1705 NE1 TRP A 125 10.283 -8.250 -7.817 1.00 0.00 N ATOM 1706 CE2 TRP A 125 10.569 -8.075 -9.143 1.00 0.00 C ATOM 1707 CE3 TRP A 125 9.446 -7.297 -11.134 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 11.741 -8.323 -9.846 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 10.613 -7.544 -11.831 1.00 0.00 C ATOM 1710 CH2 TRP A 125 11.747 -8.053 -11.186 1.00 0.00 C ATOM 0 H TRP A 125 6.719 -8.586 -10.772 1.00 0.00 H new ATOM 0 HA TRP A 125 6.110 -8.594 -7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 125 6.930 -6.408 -9.883 1.00 0.00 H new ATOM 0 HB3 TRP A 125 6.780 -6.207 -8.148 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.491 -7.894 -6.628 1.00 0.00 H new ATOM 0 HE1 TRP A 125 10.928 -8.609 -7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 125 8.575 -6.906 -11.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.617 -8.715 -9.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.651 -7.341 -12.891 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.644 -8.236 -11.759 1.00 0.00 H new ATOM 1721 N LEU A 126 4.013 -7.248 -7.738 1.00 0.00 N ATOM 1722 CA LEU A 126 2.581 -7.030 -7.583 1.00 0.00 C ATOM 1723 C LEU A 126 2.203 -5.571 -7.766 1.00 0.00 C ATOM 1724 O LEU A 126 3.056 -4.683 -7.787 1.00 0.00 O ATOM 1725 CB LEU A 126 2.126 -7.504 -6.206 1.00 0.00 C ATOM 1726 CG LEU A 126 2.563 -6.615 -5.050 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.407 -5.768 -4.536 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.132 -7.466 -3.947 1.00 0.00 C ATOM 0 H LEU A 126 4.546 -7.177 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 126 2.079 -7.606 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.038 -7.573 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.510 -8.510 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 126 3.333 -5.932 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.751 -5.144 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.036 -5.133 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.605 -6.419 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.445 -6.828 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.372 -8.166 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.992 -8.021 -4.322 1.00 0.00 H new ATOM 1740 N LYS A 127 0.907 -5.343 -7.864 1.00 0.00 N ATOM 1741 CA LYS A 127 0.365 -4.023 -8.077 1.00 0.00 C ATOM 1742 C LYS A 127 -1.026 -3.937 -7.467 1.00 0.00 C ATOM 1743 O LYS A 127 -1.947 -4.639 -7.887 1.00 0.00 O ATOM 1744 CB LYS A 127 0.322 -3.692 -9.574 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.389 -4.734 -10.421 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.511 -4.289 -11.867 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.216 -5.335 -12.713 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.575 -5.653 -12.197 1.00 0.00 N ATOM 0 H LYS A 127 0.200 -6.075 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 127 1.010 -3.291 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.174 -2.731 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.343 -3.578 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.157 -5.676 -10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.382 -4.921 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.062 -3.349 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.481 -4.098 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.294 -4.977 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.616 -6.245 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.094 -6.209 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.493 -6.203 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.089 -4.769 -12.006 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.160 -3.110 -6.451 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.447 -2.861 -5.850 1.00 0.00 C ATOM 1764 C VAL A 128 -2.610 -1.354 -5.647 1.00 0.00 C ATOM 1765 O VAL A 128 -3.022 -0.681 -6.599 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.663 -3.668 -4.541 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.679 -3.289 -3.459 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.093 -3.526 -4.063 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.287 -0.835 -4.581 1.00 0.00 O ATOM 0 H VAL A 128 -0.387 -2.598 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.227 -3.214 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.476 -4.717 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.874 -3.882 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.664 -3.480 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.788 -2.231 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.228 -4.097 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.310 -2.475 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.772 -3.903 -4.828 1.00 0.00 H new TER 1779 VAL A 128