USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 24 THR OG1 : rot -76:sc= 0.0955 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.117 (180deg=-0.312) USER MOD Single : A 30 GLN : amide:sc= 0.215 X(o=0.22,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.05 K(o=-3,f=-3.8) USER MOD Single : A 36 SER OG : rot 180:sc= -0.219 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 55 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 56 THR OG1 : rot -82:sc= 1.07 USER MOD Single : A 63 THR OG1 : rot -41:sc= -0.148! USER MOD Single : A 71 THR OG1 : rot -62:sc= 0.76 USER MOD Single : A 74 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.0454 (180deg=-0.713) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= 0.0619 (180deg=0.00762) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= -1.01 (180deg=-1.33) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.677 (180deg=-0.274) USER MOD Single : A 89 MET CE :methyl -154:sc= -5.78! (180deg=-7.89!) USER MOD Single : A 91 GLN : amide:sc= -0.41 K(o=-0.41,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-1.5) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.859 USER MOD Single : A 102 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ -139:sc= 0.156 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.539 -5.526 -8.249 1.00 0.00 N ATOM 16 CA VAL A 19 -0.861 -4.264 -8.904 1.00 0.00 C ATOM 17 C VAL A 19 0.144 -3.177 -8.528 1.00 0.00 C ATOM 18 O VAL A 19 0.023 -2.550 -7.477 1.00 0.00 O ATOM 19 CB VAL A 19 -2.277 -3.786 -8.534 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.674 -2.583 -9.375 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.283 -4.916 -8.699 1.00 0.00 C ATOM 0 HA VAL A 19 -0.814 -4.444 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.274 -3.482 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.678 -2.261 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.970 -1.769 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.659 -2.856 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.278 -4.559 -8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.284 -5.254 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.009 -5.745 -8.047 1.00 0.00 H new ATOM 31 N PRO A 20 1.153 -2.938 -9.384 1.00 0.00 N ATOM 32 CA PRO A 20 2.177 -1.919 -9.129 1.00 0.00 C ATOM 33 C PRO A 20 1.613 -0.504 -9.178 1.00 0.00 C ATOM 34 O PRO A 20 1.134 -0.052 -10.218 1.00 0.00 O ATOM 35 CB PRO A 20 3.187 -2.131 -10.261 1.00 0.00 C ATOM 36 CG PRO A 20 2.409 -2.785 -11.349 1.00 0.00 C ATOM 37 CD PRO A 20 1.378 -3.638 -10.664 1.00 0.00 C ATOM 0 HA PRO A 20 2.608 -2.020 -8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.613 -1.184 -10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.018 -2.758 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.937 -2.042 -11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.057 -3.390 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.462 -3.709 -11.250 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.737 -4.655 -10.508 1.00 0.00 H new ATOM 45 N GLY A 21 1.671 0.189 -8.046 1.00 0.00 N ATOM 46 CA GLY A 21 1.163 1.547 -7.981 1.00 0.00 C ATOM 47 C GLY A 21 1.944 2.413 -7.014 1.00 0.00 C ATOM 48 O GLY A 21 2.259 1.985 -5.902 1.00 0.00 O ATOM 0 H GLY A 21 2.061 -0.165 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.200 1.993 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.116 1.526 -7.680 1.00 0.00 H new ATOM 52 N LYS A 22 2.260 3.634 -7.435 1.00 0.00 N ATOM 53 CA LYS A 22 3.010 4.562 -6.596 1.00 0.00 C ATOM 54 C LYS A 22 2.135 5.733 -6.162 1.00 0.00 C ATOM 55 O LYS A 22 1.564 6.437 -6.996 1.00 0.00 O ATOM 56 CB LYS A 22 4.239 5.079 -7.347 1.00 0.00 C ATOM 57 CG LYS A 22 3.937 5.549 -8.759 1.00 0.00 C ATOM 58 CD LYS A 22 4.803 6.736 -9.149 1.00 0.00 C ATOM 59 CE LYS A 22 4.264 7.436 -10.385 1.00 0.00 C ATOM 60 NZ LYS A 22 5.110 8.597 -10.781 1.00 0.00 N ATOM 0 H LYS A 22 2.008 4.003 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 22 3.335 4.026 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.677 5.904 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.988 4.288 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.103 4.730 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.885 5.824 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.848 7.442 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.822 6.398 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.213 6.726 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.246 7.777 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.708 9.047 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.139 9.287 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.075 8.269 -10.988 1.00 0.00 H new ATOM 74 N VAL A 23 2.035 5.937 -4.852 1.00 0.00 N ATOM 75 CA VAL A 23 1.232 7.023 -4.307 1.00 0.00 C ATOM 76 C VAL A 23 2.108 8.055 -3.604 1.00 0.00 C ATOM 77 O VAL A 23 3.031 7.703 -2.871 1.00 0.00 O ATOM 78 CB VAL A 23 0.173 6.497 -3.316 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.839 5.801 -2.139 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.726 7.629 -2.840 1.00 0.00 C ATOM 0 H VAL A 23 2.501 5.363 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 23 0.725 7.496 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.449 5.766 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.075 5.437 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.431 4.961 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.489 6.506 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.466 7.237 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.123 8.388 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.234 8.074 -3.695 1.00 0.00 H new ATOM 90 N THR A 24 1.813 9.330 -3.834 1.00 0.00 N ATOM 91 CA THR A 24 2.574 10.414 -3.223 1.00 0.00 C ATOM 92 C THR A 24 1.845 10.974 -2.006 1.00 0.00 C ATOM 93 O THR A 24 1.036 11.894 -2.124 1.00 0.00 O ATOM 94 CB THR A 24 2.823 11.527 -4.240 1.00 0.00 C ATOM 95 OG1 THR A 24 3.267 10.991 -5.474 1.00 0.00 O ATOM 96 CG2 THR A 24 3.852 12.538 -3.782 1.00 0.00 C ATOM 0 H THR A 24 1.052 9.638 -4.439 1.00 0.00 H new ATOM 0 HA THR A 24 3.532 10.011 -2.895 1.00 0.00 H new ATOM 0 HB THR A 24 1.864 12.034 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.209 10.733 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.981 13.300 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.514 13.008 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.803 12.035 -3.607 1.00 0.00 H new ATOM 104 N LEU A 25 2.139 10.415 -0.836 1.00 0.00 N ATOM 105 CA LEU A 25 1.513 10.860 0.403 1.00 0.00 C ATOM 106 C LEU A 25 2.258 12.054 0.991 1.00 0.00 C ATOM 107 O LEU A 25 3.411 12.310 0.647 1.00 0.00 O ATOM 108 CB LEU A 25 1.476 9.718 1.420 1.00 0.00 C ATOM 109 CG LEU A 25 1.063 8.359 0.852 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.526 7.236 1.766 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.443 8.299 0.653 1.00 0.00 C ATOM 0 H LEU A 25 2.807 9.653 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 25 0.493 11.167 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.464 9.621 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.785 9.986 2.219 1.00 0.00 H new ATOM 0 HG LEU A 25 1.543 8.232 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.223 6.277 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.612 7.266 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.075 7.359 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.718 7.325 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.943 8.449 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.750 9.080 -0.042 1.00 0.00 H new ATOM 123 N GLN A 26 1.589 12.783 1.879 1.00 0.00 N ATOM 124 CA GLN A 26 2.188 13.951 2.516 1.00 0.00 C ATOM 125 C GLN A 26 2.481 13.679 3.987 1.00 0.00 C ATOM 126 O GLN A 26 1.586 13.323 4.753 1.00 0.00 O ATOM 127 CB GLN A 26 1.263 15.162 2.384 1.00 0.00 C ATOM 128 CG GLN A 26 0.965 15.549 0.946 1.00 0.00 C ATOM 129 CD GLN A 26 0.039 14.567 0.257 1.00 0.00 C ATOM 130 OE1 GLN A 26 -0.814 13.949 0.895 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.203 14.417 -1.052 1.00 0.00 N ATOM 0 H GLN A 26 0.633 12.586 2.174 1.00 0.00 H new ATOM 0 HA GLN A 26 3.130 14.165 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.324 14.949 2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.717 16.012 2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.515 16.542 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.900 15.612 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.923 14.950 -1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.391 13.769 -1.569 1.00 0.00 H new ATOM 140 N LYS A 27 3.741 13.847 4.377 1.00 0.00 N ATOM 141 CA LYS A 27 4.153 13.619 5.757 1.00 0.00 C ATOM 142 C LYS A 27 3.419 14.562 6.705 1.00 0.00 C ATOM 143 O LYS A 27 3.167 15.720 6.374 1.00 0.00 O ATOM 144 CB LYS A 27 5.663 13.808 5.899 1.00 0.00 C ATOM 145 CG LYS A 27 6.480 12.746 5.180 1.00 0.00 C ATOM 146 CD LYS A 27 6.918 11.639 6.128 1.00 0.00 C ATOM 147 CE LYS A 27 8.412 11.372 6.024 1.00 0.00 C ATOM 148 NZ LYS A 27 9.163 11.976 7.158 1.00 0.00 N ATOM 0 H LYS A 27 4.495 14.141 3.756 1.00 0.00 H new ATOM 0 HA LYS A 27 3.897 12.593 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.936 14.789 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.924 13.800 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.890 12.319 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.358 13.206 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.668 11.916 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.368 10.726 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.588 10.297 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.788 11.775 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.181 11.967 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.848 12.957 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.986 11.427 8.023 1.00 0.00 H new ATOM 162 N ASP A 28 3.078 14.057 7.886 1.00 0.00 N ATOM 163 CA ASP A 28 2.374 14.854 8.884 1.00 0.00 C ATOM 164 C ASP A 28 3.308 15.876 9.522 1.00 0.00 C ATOM 165 O ASP A 28 4.450 16.042 9.093 1.00 0.00 O ATOM 166 CB ASP A 28 1.777 13.947 9.963 1.00 0.00 C ATOM 167 CG ASP A 28 0.411 14.417 10.421 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.546 14.328 9.623 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.297 14.875 11.577 1.00 0.00 O ATOM 0 H ASP A 28 3.278 13.100 8.175 1.00 0.00 H new ATOM 0 HA ASP A 28 1.568 15.389 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.698 12.931 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.452 13.911 10.818 1.00 0.00 H new ATOM 174 N ALA A 29 2.814 16.560 10.549 1.00 0.00 N ATOM 175 CA ALA A 29 3.604 17.567 11.248 1.00 0.00 C ATOM 176 C ALA A 29 4.797 16.937 11.959 1.00 0.00 C ATOM 177 O ALA A 29 5.835 17.576 12.136 1.00 0.00 O ATOM 178 CB ALA A 29 2.735 18.324 12.240 1.00 0.00 C ATOM 0 H ALA A 29 1.870 16.435 10.916 1.00 0.00 H new ATOM 0 HA ALA A 29 3.987 18.269 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.338 19.072 12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.921 18.817 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.323 17.626 12.969 1.00 0.00 H new ATOM 184 N GLN A 30 4.641 15.682 12.362 1.00 0.00 N ATOM 185 CA GLN A 30 5.706 14.964 13.054 1.00 0.00 C ATOM 186 C GLN A 30 6.471 14.061 12.092 1.00 0.00 C ATOM 187 O GLN A 30 6.988 13.016 12.486 1.00 0.00 O ATOM 188 CB GLN A 30 5.126 14.132 14.200 1.00 0.00 C ATOM 189 CG GLN A 30 4.010 13.196 13.764 1.00 0.00 C ATOM 190 CD GLN A 30 2.726 13.415 14.543 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.676 13.198 15.753 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.680 13.847 13.848 1.00 0.00 N ATOM 0 H GLN A 30 3.788 15.140 12.222 1.00 0.00 H new ATOM 0 HA GLN A 30 6.400 15.699 13.461 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.925 13.546 14.654 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.747 14.803 14.970 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.815 13.340 12.701 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.336 12.164 13.891 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.767 14.014 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.789 14.012 14.317 1.00 0.00 H new ATOM 201 N ASN A 31 6.539 14.473 10.826 1.00 0.00 N ATOM 202 CA ASN A 31 7.240 13.710 9.795 1.00 0.00 C ATOM 203 C ASN A 31 6.925 12.217 9.893 1.00 0.00 C ATOM 204 O ASN A 31 7.793 11.374 9.667 1.00 0.00 O ATOM 205 CB ASN A 31 8.751 13.935 9.898 1.00 0.00 C ATOM 206 CG ASN A 31 9.335 13.398 11.191 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.373 14.096 12.205 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.793 12.152 11.161 1.00 0.00 N ATOM 0 H ASN A 31 6.114 15.337 10.489 1.00 0.00 H new ATOM 0 HA ASN A 31 6.891 14.066 8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.244 13.454 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.961 15.002 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.197 11.737 12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.741 11.610 10.298 1.00 0.00 H new ATOM 215 N LEU A 32 5.680 11.902 10.233 1.00 0.00 N ATOM 216 CA LEU A 32 5.252 10.513 10.362 1.00 0.00 C ATOM 217 C LEU A 32 3.964 10.265 9.583 1.00 0.00 C ATOM 218 O LEU A 32 2.872 10.590 10.052 1.00 0.00 O ATOM 219 CB LEU A 32 5.045 10.154 11.836 1.00 0.00 C ATOM 220 CG LEU A 32 6.324 9.828 12.608 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.021 9.646 14.088 1.00 0.00 C ATOM 222 CD2 LEU A 32 6.985 8.583 12.041 1.00 0.00 C ATOM 0 H LEU A 32 4.950 12.588 10.424 1.00 0.00 H new ATOM 0 HA LEU A 32 6.036 9.879 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.543 10.986 12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.375 9.297 11.895 1.00 0.00 H new ATOM 0 HG LEU A 32 7.015 10.664 12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.942 9.415 14.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.591 10.565 14.487 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.312 8.828 14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.894 8.366 12.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.299 7.739 12.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.237 8.750 10.994 1.00 0.00 H new ATOM 234 N ILE A 33 4.098 9.691 8.393 1.00 0.00 N ATOM 235 CA ILE A 33 2.943 9.401 7.551 1.00 0.00 C ATOM 236 C ILE A 33 1.988 8.434 8.242 1.00 0.00 C ATOM 237 O ILE A 33 0.770 8.548 8.110 1.00 0.00 O ATOM 238 CB ILE A 33 3.366 8.812 6.192 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.329 7.641 6.392 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.003 9.887 5.324 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.590 6.852 5.127 1.00 0.00 C ATOM 0 H ILE A 33 4.994 9.417 7.990 1.00 0.00 H new ATOM 0 HA ILE A 33 2.433 10.349 7.379 1.00 0.00 H new ATOM 0 HB ILE A 33 2.476 8.440 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.276 8.021 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.923 6.972 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.297 9.455 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.286 10.690 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.883 10.287 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.281 6.037 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.651 6.442 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.026 7.507 4.373 1.00 0.00 H new ATOM 253 N GLY A 34 2.549 7.483 8.983 1.00 0.00 N ATOM 254 CA GLY A 34 1.731 6.514 9.688 1.00 0.00 C ATOM 255 C GLY A 34 1.585 5.208 8.932 1.00 0.00 C ATOM 256 O GLY A 34 0.559 4.963 8.296 1.00 0.00 O ATOM 0 H GLY A 34 3.555 7.367 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.172 6.316 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.743 6.939 9.864 1.00 0.00 H new ATOM 260 N ILE A 35 2.609 4.363 9.005 1.00 0.00 N ATOM 261 CA ILE A 35 2.590 3.073 8.329 1.00 0.00 C ATOM 262 C ILE A 35 3.594 2.111 8.957 1.00 0.00 C ATOM 263 O ILE A 35 4.722 2.492 9.267 1.00 0.00 O ATOM 264 CB ILE A 35 2.906 3.210 6.826 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.219 3.966 6.624 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.766 3.912 6.103 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.856 3.722 5.273 1.00 0.00 C ATOM 0 H ILE A 35 3.464 4.551 9.528 1.00 0.00 H new ATOM 0 HA ILE A 35 1.581 2.677 8.443 1.00 0.00 H new ATOM 0 HB ILE A 35 3.016 2.211 6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.036 5.034 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.921 3.674 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.006 4.000 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.850 3.333 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.624 4.906 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.783 4.290 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.071 2.660 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.173 4.040 4.486 1.00 0.00 H new ATOM 279 N SER A 36 3.176 0.864 9.140 1.00 0.00 N ATOM 280 CA SER A 36 4.041 -0.151 9.728 1.00 0.00 C ATOM 281 C SER A 36 4.548 -1.112 8.660 1.00 0.00 C ATOM 282 O SER A 36 3.792 -1.536 7.785 1.00 0.00 O ATOM 283 CB SER A 36 3.292 -0.925 10.816 1.00 0.00 C ATOM 284 OG SER A 36 4.022 -2.069 11.222 1.00 0.00 O ATOM 0 H SER A 36 2.245 0.532 8.890 1.00 0.00 H new ATOM 0 HA SER A 36 4.897 0.351 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.119 -0.276 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.313 -1.228 10.443 1.00 0.00 H new ATOM 0 HG SER A 36 3.523 -2.545 11.919 1.00 0.00 H new ATOM 290 N ILE A 37 5.831 -1.451 8.732 1.00 0.00 N ATOM 291 CA ILE A 37 6.434 -2.360 7.766 1.00 0.00 C ATOM 292 C ILE A 37 7.230 -3.457 8.462 1.00 0.00 C ATOM 293 O ILE A 37 7.537 -3.359 9.650 1.00 0.00 O ATOM 294 CB ILE A 37 7.361 -1.607 6.791 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.321 -0.701 7.563 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.541 -0.798 5.798 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.455 -1.449 8.229 1.00 0.00 C ATOM 0 H ILE A 37 6.472 -1.110 9.449 1.00 0.00 H new ATOM 0 HA ILE A 37 5.616 -2.812 7.205 1.00 0.00 H new ATOM 0 HB ILE A 37 7.949 -2.337 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.737 0.040 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.761 -0.155 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.210 -0.272 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.896 -1.467 5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.929 -0.074 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.096 -0.743 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.048 -2.171 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.039 -1.973 7.472 1.00 0.00 H new ATOM 309 N GLY A 38 7.564 -4.502 7.711 1.00 0.00 N ATOM 310 CA GLY A 38 8.322 -5.607 8.269 1.00 0.00 C ATOM 311 C GLY A 38 9.268 -6.224 7.258 1.00 0.00 C ATOM 312 O GLY A 38 8.903 -6.426 6.100 1.00 0.00 O ATOM 0 H GLY A 38 7.323 -4.603 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.892 -5.256 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.634 -6.370 8.632 1.00 0.00 H new ATOM 316 N GLY A 39 10.486 -6.524 7.698 1.00 0.00 N ATOM 317 CA GLY A 39 11.469 -7.118 6.809 1.00 0.00 C ATOM 318 C GLY A 39 12.610 -7.774 7.559 1.00 0.00 C ATOM 319 O GLY A 39 12.885 -7.432 8.709 1.00 0.00 O ATOM 0 H GLY A 39 10.810 -6.367 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.981 -7.859 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.868 -6.348 6.148 1.00 0.00 H new ATOM 414 N LEU A 47 10.428 -6.396 1.768 1.00 0.00 N ATOM 415 CA LEU A 47 9.713 -5.593 2.752 1.00 0.00 C ATOM 416 C LEU A 47 8.205 -5.670 2.521 1.00 0.00 C ATOM 417 O LEU A 47 7.752 -5.863 1.393 1.00 0.00 O ATOM 418 CB LEU A 47 10.181 -4.135 2.687 1.00 0.00 C ATOM 419 CG LEU A 47 10.827 -3.602 3.969 1.00 0.00 C ATOM 420 CD1 LEU A 47 9.805 -3.532 5.093 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.008 -4.472 4.371 1.00 0.00 C ATOM 0 HA LEU A 47 9.931 -5.992 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.896 -4.035 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.326 -3.506 2.441 1.00 0.00 H new ATOM 0 HG LEU A 47 11.193 -2.593 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.283 -3.151 5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.992 -2.866 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.407 -4.528 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.455 -4.079 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.666 -5.492 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.750 -4.469 3.573 1.00 0.00 H new ATOM 433 N TYR A 48 7.434 -5.521 3.594 1.00 0.00 N ATOM 434 CA TYR A 48 5.979 -5.578 3.499 1.00 0.00 C ATOM 435 C TYR A 48 5.324 -4.695 4.558 1.00 0.00 C ATOM 436 O TYR A 48 5.901 -4.443 5.615 1.00 0.00 O ATOM 437 CB TYR A 48 5.493 -7.020 3.651 1.00 0.00 C ATOM 438 CG TYR A 48 6.144 -7.984 2.684 1.00 0.00 C ATOM 439 CD1 TYR A 48 5.794 -7.993 1.340 1.00 0.00 C ATOM 440 CD2 TYR A 48 7.109 -8.885 3.115 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.386 -8.872 0.454 1.00 0.00 C ATOM 442 CE2 TYR A 48 7.706 -9.767 2.236 1.00 0.00 C ATOM 443 CZ TYR A 48 7.341 -9.757 0.906 1.00 0.00 C ATOM 444 OH TYR A 48 7.933 -10.634 0.026 1.00 0.00 O ATOM 0 H TYR A 48 7.791 -5.360 4.536 1.00 0.00 H new ATOM 0 HA TYR A 48 5.692 -5.205 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.687 -7.354 4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.413 -7.048 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.046 -7.301 0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.398 -8.896 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.102 -8.866 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.455 -10.461 2.588 1.00 0.00 H new ATOM 0 HH TYR A 48 8.585 -11.188 0.505 1.00 0.00 H new ATOM 454 N ILE A 49 4.113 -4.231 4.263 1.00 0.00 N ATOM 455 CA ILE A 49 3.372 -3.379 5.187 1.00 0.00 C ATOM 456 C ILE A 49 2.614 -4.219 6.212 1.00 0.00 C ATOM 457 O ILE A 49 2.395 -5.412 6.006 1.00 0.00 O ATOM 458 CB ILE A 49 2.378 -2.472 4.435 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.071 -1.797 3.248 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.792 -1.430 5.377 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.166 -0.871 2.465 1.00 0.00 C ATOM 0 H ILE A 49 3.624 -4.431 3.391 1.00 0.00 H new ATOM 0 HA ILE A 49 4.099 -2.752 5.703 1.00 0.00 H new ATOM 0 HB ILE A 49 1.562 -3.087 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.928 -1.231 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.457 -2.566 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.092 -0.798 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.269 -1.930 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.595 -0.815 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.724 -0.429 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.321 -1.436 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.800 -0.081 3.120 1.00 0.00 H new ATOM 473 N VAL A 50 2.221 -3.593 7.318 1.00 0.00 N ATOM 474 CA VAL A 50 1.498 -4.297 8.373 1.00 0.00 C ATOM 475 C VAL A 50 0.106 -3.710 8.592 1.00 0.00 C ATOM 476 O VAL A 50 -0.900 -4.359 8.308 1.00 0.00 O ATOM 477 CB VAL A 50 2.272 -4.261 9.703 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.612 -5.168 10.731 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.724 -4.657 9.486 1.00 0.00 C ATOM 0 H VAL A 50 2.390 -2.605 7.507 1.00 0.00 H new ATOM 0 HA VAL A 50 1.398 -5.331 8.042 1.00 0.00 H new ATOM 0 HB VAL A 50 2.251 -3.241 10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.174 -5.129 11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.590 -4.834 10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.599 -6.192 10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.256 -4.626 10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.769 -5.667 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.190 -3.963 8.787 1.00 0.00 H new ATOM 489 N GLN A 51 0.053 -2.485 9.107 1.00 0.00 N ATOM 490 CA GLN A 51 -1.223 -1.828 9.370 1.00 0.00 C ATOM 491 C GLN A 51 -1.043 -0.322 9.548 1.00 0.00 C ATOM 492 O GLN A 51 0.004 0.139 10.004 1.00 0.00 O ATOM 493 CB GLN A 51 -1.873 -2.431 10.619 1.00 0.00 C ATOM 494 CG GLN A 51 -3.115 -1.690 11.092 1.00 0.00 C ATOM 495 CD GLN A 51 -4.142 -2.613 11.717 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.606 -3.562 11.086 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.502 -2.337 12.964 1.00 0.00 N ATOM 0 H GLN A 51 0.874 -1.930 9.349 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.873 -1.991 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.138 -3.468 10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.141 -2.444 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.826 -0.930 11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.566 -1.169 10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.091 -1.539 13.449 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.190 -2.923 13.438 1.00 0.00 H new ATOM 506 N VAL A 52 -2.076 0.436 9.192 1.00 0.00 N ATOM 507 CA VAL A 52 -2.043 1.889 9.316 1.00 0.00 C ATOM 508 C VAL A 52 -2.812 2.344 10.550 1.00 0.00 C ATOM 509 O VAL A 52 -3.676 1.625 11.054 1.00 0.00 O ATOM 510 CB VAL A 52 -2.645 2.588 8.077 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.014 3.958 7.871 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.480 1.730 6.831 1.00 0.00 C ATOM 0 H VAL A 52 -2.948 0.066 8.814 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.993 2.169 9.404 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.712 2.724 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.453 4.432 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.197 4.578 8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.940 3.845 7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.913 2.246 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.420 1.551 6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.989 0.777 6.975 1.00 0.00 H new ATOM 522 N PHE A 53 -2.497 3.541 11.032 1.00 0.00 N ATOM 523 CA PHE A 53 -3.164 4.091 12.204 1.00 0.00 C ATOM 524 C PHE A 53 -4.147 5.182 11.797 1.00 0.00 C ATOM 525 O PHE A 53 -3.918 5.911 10.834 1.00 0.00 O ATOM 526 CB PHE A 53 -2.132 4.644 13.188 1.00 0.00 C ATOM 527 CG PHE A 53 -1.439 3.571 13.979 1.00 0.00 C ATOM 528 CD1 PHE A 53 -2.046 3.012 15.092 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.183 3.118 13.606 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.415 2.020 15.819 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.453 2.127 14.328 1.00 0.00 C ATOM 532 CZ PHE A 53 -0.163 1.578 15.436 1.00 0.00 C ATOM 0 H PHE A 53 -1.784 4.148 10.629 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.721 3.292 12.693 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.388 5.221 12.639 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.625 5.332 13.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.024 3.355 15.395 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.304 3.545 12.741 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.899 1.592 16.684 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.431 1.782 14.027 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.334 0.804 16.002 1.00 0.00 H new ATOM 542 N ASP A 54 -5.250 5.279 12.529 1.00 0.00 N ATOM 543 CA ASP A 54 -6.274 6.276 12.236 1.00 0.00 C ATOM 544 C ASP A 54 -5.728 7.694 12.375 1.00 0.00 C ATOM 545 O ASP A 54 -4.733 7.924 13.063 1.00 0.00 O ATOM 546 CB ASP A 54 -7.475 6.088 13.164 1.00 0.00 C ATOM 547 CG ASP A 54 -8.716 6.790 12.651 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.822 6.986 11.423 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.585 7.142 13.478 1.00 0.00 O ATOM 0 H ASP A 54 -5.459 4.681 13.329 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.590 6.135 11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.682 5.024 13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.228 6.469 14.155 1.00 0.00 H new ATOM 554 N ASN A 55 -6.396 8.639 11.722 1.00 0.00 N ATOM 555 CA ASN A 55 -6.001 10.042 11.767 1.00 0.00 C ATOM 556 C ASN A 55 -4.628 10.269 11.136 1.00 0.00 C ATOM 557 O ASN A 55 -3.982 11.286 11.394 1.00 0.00 O ATOM 558 CB ASN A 55 -5.998 10.548 13.210 1.00 0.00 C ATOM 559 CG ASN A 55 -7.391 10.593 13.810 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.971 11.665 13.980 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.934 9.425 14.133 1.00 0.00 N ATOM 0 H ASN A 55 -7.221 8.456 11.150 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.733 10.603 11.186 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.364 9.902 13.817 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.559 11.545 13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.869 9.392 14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.416 8.561 13.974 1.00 0.00 H new ATOM 568 N THR A 56 -4.186 9.333 10.303 1.00 0.00 N ATOM 569 CA THR A 56 -2.893 9.460 9.637 1.00 0.00 C ATOM 570 C THR A 56 -3.081 9.850 8.176 1.00 0.00 C ATOM 571 O THR A 56 -4.057 9.454 7.542 1.00 0.00 O ATOM 572 CB THR A 56 -2.106 8.152 9.729 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.777 7.115 9.036 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.880 7.686 11.150 1.00 0.00 C ATOM 0 H THR A 56 -4.700 8.482 10.073 1.00 0.00 H new ATOM 0 HA THR A 56 -2.328 10.244 10.142 1.00 0.00 H new ATOM 0 HB THR A 56 -1.137 8.366 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.475 6.736 9.610 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.316 6.753 11.142 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.319 8.444 11.697 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.842 7.524 11.637 1.00 0.00 H new ATOM 582 N PRO A 57 -2.144 10.635 7.615 1.00 0.00 N ATOM 583 CA PRO A 57 -2.217 11.071 6.218 1.00 0.00 C ATOM 584 C PRO A 57 -2.305 9.892 5.256 1.00 0.00 C ATOM 585 O PRO A 57 -2.899 9.996 4.182 1.00 0.00 O ATOM 586 CB PRO A 57 -0.909 11.846 6.004 1.00 0.00 C ATOM 587 CG PRO A 57 -0.028 11.459 7.144 1.00 0.00 C ATOM 588 CD PRO A 57 -0.946 11.151 8.289 1.00 0.00 C ATOM 0 HA PRO A 57 -3.108 11.669 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.451 11.588 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.087 12.921 5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.582 10.593 6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.657 12.267 7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.514 10.415 8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.166 12.039 8.881 1.00 0.00 H new ATOM 596 N ALA A 58 -1.714 8.770 5.651 1.00 0.00 N ATOM 597 CA ALA A 58 -1.726 7.567 4.829 1.00 0.00 C ATOM 598 C ALA A 58 -3.097 6.901 4.851 1.00 0.00 C ATOM 599 O ALA A 58 -3.515 6.285 3.871 1.00 0.00 O ATOM 600 CB ALA A 58 -0.657 6.595 5.304 1.00 0.00 C ATOM 0 H ALA A 58 -1.220 8.669 6.537 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.509 7.856 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.676 5.700 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.323 7.067 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.850 6.320 6.341 1.00 0.00 H new ATOM 606 N ALA A 59 -3.794 7.031 5.976 1.00 0.00 N ATOM 607 CA ALA A 59 -5.120 6.444 6.126 1.00 0.00 C ATOM 608 C ALA A 59 -6.206 7.414 5.676 1.00 0.00 C ATOM 609 O ALA A 59 -7.279 7.001 5.236 1.00 0.00 O ATOM 610 CB ALA A 59 -5.350 6.024 7.570 1.00 0.00 C ATOM 0 H ALA A 59 -3.462 7.538 6.797 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.173 5.561 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.344 5.587 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.600 5.288 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.271 6.896 8.219 1.00 0.00 H new ATOM 616 N LEU A 60 -5.922 8.709 5.787 1.00 0.00 N ATOM 617 CA LEU A 60 -6.876 9.737 5.389 1.00 0.00 C ATOM 618 C LEU A 60 -6.957 9.837 3.869 1.00 0.00 C ATOM 619 O LEU A 60 -8.028 10.065 3.307 1.00 0.00 O ATOM 620 CB LEU A 60 -6.478 11.091 5.981 1.00 0.00 C ATOM 621 CG LEU A 60 -6.487 11.161 7.511 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.575 12.274 7.998 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.904 11.367 8.025 1.00 0.00 C ATOM 0 H LEU A 60 -5.039 9.070 6.149 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.857 9.458 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.479 11.345 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.156 11.852 5.594 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.113 10.215 7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.594 12.309 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.557 12.085 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.919 13.228 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.893 11.415 9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.304 12.299 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.532 10.535 7.705 1.00 0.00 H new ATOM 635 N ASP A 61 -5.816 9.661 3.209 1.00 0.00 N ATOM 636 CA ASP A 61 -5.755 9.727 1.754 1.00 0.00 C ATOM 637 C ASP A 61 -6.316 8.454 1.130 1.00 0.00 C ATOM 638 O ASP A 61 -6.935 8.490 0.067 1.00 0.00 O ATOM 639 CB ASP A 61 -4.314 9.944 1.291 1.00 0.00 C ATOM 640 CG ASP A 61 -4.228 10.817 0.055 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.985 11.807 -0.027 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.404 10.511 -0.833 1.00 0.00 O ATOM 0 H ASP A 61 -4.921 9.471 3.660 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.363 10.570 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.742 10.403 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.853 8.978 1.083 1.00 0.00 H new ATOM 647 N GLY A 62 -6.097 7.327 1.802 1.00 0.00 N ATOM 648 CA GLY A 62 -6.588 6.057 1.302 1.00 0.00 C ATOM 649 C GLY A 62 -5.798 5.558 0.108 1.00 0.00 C ATOM 650 O GLY A 62 -6.128 5.873 -1.036 1.00 0.00 O ATOM 0 H GLY A 62 -5.588 7.272 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.543 5.315 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.636 6.161 1.022 1.00 0.00 H new ATOM 654 N THR A 63 -4.757 4.777 0.372 1.00 0.00 N ATOM 655 CA THR A 63 -3.920 4.233 -0.691 1.00 0.00 C ATOM 656 C THR A 63 -3.080 3.065 -0.181 1.00 0.00 C ATOM 657 O THR A 63 -3.270 1.924 -0.600 1.00 0.00 O ATOM 658 CB THR A 63 -3.006 5.321 -1.258 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.673 6.571 -1.289 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.523 5.024 -2.661 1.00 0.00 C ATOM 0 H THR A 63 -4.472 4.506 1.313 1.00 0.00 H new ATOM 0 HA THR A 63 -4.575 3.869 -1.482 1.00 0.00 H new ATOM 0 HB THR A 63 -2.144 5.350 -0.592 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.599 6.440 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.880 5.835 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.962 4.090 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.379 4.934 -3.329 1.00 0.00 H new ATOM 668 N VAL A 64 -2.153 3.358 0.725 1.00 0.00 N ATOM 669 CA VAL A 64 -1.284 2.333 1.290 1.00 0.00 C ATOM 670 C VAL A 64 -1.835 1.813 2.614 1.00 0.00 C ATOM 671 O VAL A 64 -2.311 2.587 3.445 1.00 0.00 O ATOM 672 CB VAL A 64 0.142 2.868 1.515 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.799 3.217 0.188 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.120 4.075 2.442 1.00 0.00 C ATOM 0 H VAL A 64 -1.984 4.298 1.084 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.248 1.516 0.569 1.00 0.00 H new ATOM 0 HB VAL A 64 0.733 2.085 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.806 3.593 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.851 2.326 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.211 3.982 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.137 4.439 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.487 4.864 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.305 3.788 3.404 1.00 0.00 H new ATOM 684 N ALA A 65 -1.768 0.499 2.803 1.00 0.00 N ATOM 685 CA ALA A 65 -2.260 -0.120 4.029 1.00 0.00 C ATOM 686 C ALA A 65 -1.863 -1.591 4.102 1.00 0.00 C ATOM 687 O ALA A 65 -1.085 -2.077 3.282 1.00 0.00 O ATOM 688 CB ALA A 65 -3.770 0.028 4.122 1.00 0.00 C ATOM 0 H ALA A 65 -1.379 -0.156 2.125 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.802 0.392 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.125 -0.438 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.032 1.086 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.237 -0.458 3.265 1.00 0.00 H new ATOM 694 N ALA A 66 -2.408 -2.295 5.091 1.00 0.00 N ATOM 695 CA ALA A 66 -2.115 -3.712 5.276 1.00 0.00 C ATOM 696 C ALA A 66 -2.421 -4.509 4.013 1.00 0.00 C ATOM 697 O ALA A 66 -3.393 -4.231 3.311 1.00 0.00 O ATOM 698 CB ALA A 66 -2.907 -4.263 6.452 1.00 0.00 C ATOM 0 H ALA A 66 -3.055 -1.906 5.777 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.050 -3.812 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.680 -5.321 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.636 -3.722 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.973 -4.141 6.261 1.00 0.00 H new ATOM 704 N GLY A 67 -1.582 -5.499 3.726 1.00 0.00 N ATOM 705 CA GLY A 67 -1.780 -6.320 2.545 1.00 0.00 C ATOM 706 C GLY A 67 -0.975 -5.829 1.359 1.00 0.00 C ATOM 707 O GLY A 67 -0.593 -6.615 0.491 1.00 0.00 O ATOM 0 H GLY A 67 -0.769 -5.748 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.500 -7.349 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.838 -6.328 2.284 1.00 0.00 H new ATOM 711 N ASP A 68 -0.715 -4.526 1.321 1.00 0.00 N ATOM 712 CA ASP A 68 0.050 -3.930 0.233 1.00 0.00 C ATOM 713 C ASP A 68 1.530 -4.284 0.354 1.00 0.00 C ATOM 714 O ASP A 68 2.070 -4.363 1.457 1.00 0.00 O ATOM 715 CB ASP A 68 -0.126 -2.412 0.230 1.00 0.00 C ATOM 716 CG ASP A 68 -1.474 -1.988 -0.318 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.427 -2.792 -0.242 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.577 -0.851 -0.827 1.00 0.00 O ATOM 0 H ASP A 68 -1.023 -3.863 2.032 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.326 -4.332 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.015 -2.034 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.665 -1.958 -0.367 1.00 0.00 H new ATOM 723 N GLU A 69 2.178 -4.494 -0.787 1.00 0.00 N ATOM 724 CA GLU A 69 3.594 -4.839 -0.808 1.00 0.00 C ATOM 725 C GLU A 69 4.441 -3.640 -1.221 1.00 0.00 C ATOM 726 O GLU A 69 4.494 -3.279 -2.396 1.00 0.00 O ATOM 727 CB GLU A 69 3.841 -6.007 -1.765 1.00 0.00 C ATOM 728 CG GLU A 69 5.296 -6.440 -1.835 1.00 0.00 C ATOM 729 CD GLU A 69 5.571 -7.372 -2.998 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.766 -7.385 -3.952 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.592 -8.090 -2.955 1.00 0.00 O ATOM 0 H GLU A 69 1.745 -4.431 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 69 3.885 -5.136 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.233 -6.856 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.506 -5.725 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.930 -5.558 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.569 -6.937 -0.904 1.00 0.00 H new ATOM 738 N ILE A 70 5.105 -3.029 -0.246 1.00 0.00 N ATOM 739 CA ILE A 70 5.953 -1.872 -0.508 1.00 0.00 C ATOM 740 C ILE A 70 7.217 -2.280 -1.258 1.00 0.00 C ATOM 741 O ILE A 70 7.758 -3.364 -1.038 1.00 0.00 O ATOM 742 CB ILE A 70 6.346 -1.154 0.800 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.155 0.108 0.496 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.133 -2.091 1.705 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.148 1.116 1.625 1.00 0.00 C ATOM 0 H ILE A 70 5.072 -3.315 0.732 1.00 0.00 H new ATOM 0 HA ILE A 70 5.374 -1.185 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 70 5.435 -0.859 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.185 -0.174 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.756 0.578 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.402 -1.569 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.522 -2.960 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.039 -2.416 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.741 1.985 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.123 1.427 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.575 0.663 2.520 1.00 0.00 H new ATOM 757 N THR A 71 7.684 -1.407 -2.146 1.00 0.00 N ATOM 758 CA THR A 71 8.882 -1.682 -2.928 1.00 0.00 C ATOM 759 C THR A 71 9.425 -0.405 -3.562 1.00 0.00 C ATOM 760 O THR A 71 9.894 -0.415 -4.700 1.00 0.00 O ATOM 761 CB THR A 71 8.582 -2.716 -4.013 1.00 0.00 C ATOM 762 OG1 THR A 71 9.694 -2.880 -4.874 1.00 0.00 O ATOM 763 CG2 THR A 71 7.387 -2.356 -4.868 1.00 0.00 C ATOM 0 H THR A 71 7.251 -0.504 -2.341 1.00 0.00 H new ATOM 0 HA THR A 71 9.640 -2.082 -2.255 1.00 0.00 H new ATOM 0 HB THR A 71 8.360 -3.639 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.886 -2.032 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.229 -3.131 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.501 -2.274 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.569 -1.403 -5.364 1.00 0.00 H new ATOM 771 N GLY A 72 9.361 0.695 -2.819 1.00 0.00 N ATOM 772 CA GLY A 72 9.851 1.961 -3.329 1.00 0.00 C ATOM 773 C GLY A 72 9.538 3.123 -2.406 1.00 0.00 C ATOM 774 O GLY A 72 8.602 3.054 -1.607 1.00 0.00 O ATOM 0 H GLY A 72 8.979 0.732 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.929 1.897 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.409 2.150 -4.307 1.00 0.00 H new ATOM 778 N VAL A 73 10.321 4.190 -2.516 1.00 0.00 N ATOM 779 CA VAL A 73 10.124 5.373 -1.686 1.00 0.00 C ATOM 780 C VAL A 73 10.890 6.566 -2.247 1.00 0.00 C ATOM 781 O VAL A 73 12.120 6.558 -2.305 1.00 0.00 O ATOM 782 CB VAL A 73 10.570 5.119 -0.232 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.056 4.799 -0.172 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.237 6.316 0.648 1.00 0.00 C ATOM 0 H VAL A 73 11.099 4.260 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 73 9.057 5.596 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 73 10.023 4.256 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.349 4.623 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.260 3.906 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.625 5.638 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.560 6.117 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.752 7.200 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.161 6.489 0.634 1.00 0.00 H new ATOM 794 N ASN A 74 10.155 7.594 -2.659 1.00 0.00 N ATOM 795 CA ASN A 74 10.764 8.796 -3.216 1.00 0.00 C ATOM 796 C ASN A 74 11.576 8.466 -4.466 1.00 0.00 C ATOM 797 O ASN A 74 12.537 9.165 -4.795 1.00 0.00 O ATOM 798 CB ASN A 74 11.659 9.470 -2.172 1.00 0.00 C ATOM 799 CG ASN A 74 11.015 10.705 -1.572 1.00 0.00 C ATOM 800 OD1 ASN A 74 9.807 10.739 -1.340 1.00 0.00 O ATOM 801 ND2 ASN A 74 11.823 11.728 -1.316 1.00 0.00 N ATOM 0 H ASN A 74 9.136 7.618 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 74 9.965 9.483 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.886 8.759 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.607 9.745 -2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.448 12.585 -0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.819 11.656 -1.525 1.00 0.00 H new ATOM 808 N GLY A 75 11.185 7.402 -5.160 1.00 0.00 N ATOM 809 CA GLY A 75 11.888 7.002 -6.364 1.00 0.00 C ATOM 810 C GLY A 75 12.928 5.930 -6.104 1.00 0.00 C ATOM 811 O GLY A 75 13.247 5.138 -6.989 1.00 0.00 O ATOM 0 H GLY A 75 10.393 6.810 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.168 6.635 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.372 7.874 -6.804 1.00 0.00 H new ATOM 815 N ARG A 76 13.458 5.906 -4.885 1.00 0.00 N ATOM 816 CA ARG A 76 14.469 4.923 -4.510 1.00 0.00 C ATOM 817 C ARG A 76 13.847 3.543 -4.330 1.00 0.00 C ATOM 818 O ARG A 76 12.631 3.413 -4.190 1.00 0.00 O ATOM 819 CB ARG A 76 15.173 5.351 -3.222 1.00 0.00 C ATOM 820 CG ARG A 76 16.370 6.258 -3.453 1.00 0.00 C ATOM 821 CD ARG A 76 17.462 6.020 -2.422 1.00 0.00 C ATOM 822 NE ARG A 76 18.683 5.497 -3.027 1.00 0.00 N ATOM 823 CZ ARG A 76 19.572 6.249 -3.672 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.381 7.556 -3.797 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.658 5.692 -4.194 1.00 0.00 N ATOM 0 H ARG A 76 13.205 6.555 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 76 15.202 4.868 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.457 5.865 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.501 4.461 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.769 6.086 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.051 7.299 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.684 6.955 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.102 5.319 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 76 18.866 4.496 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.549 7.990 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.066 8.126 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.811 4.688 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.339 6.268 -4.688 1.00 0.00 H new ATOM 839 N SER A 77 14.689 2.514 -4.333 1.00 0.00 N ATOM 840 CA SER A 77 14.222 1.142 -4.168 1.00 0.00 C ATOM 841 C SER A 77 14.434 0.665 -2.735 1.00 0.00 C ATOM 842 O SER A 77 15.488 0.895 -2.144 1.00 0.00 O ATOM 843 CB SER A 77 14.948 0.214 -5.143 1.00 0.00 C ATOM 844 OG SER A 77 14.417 -1.100 -5.088 1.00 0.00 O ATOM 0 H SER A 77 15.698 2.605 -4.448 1.00 0.00 H new ATOM 0 HA SER A 77 13.154 1.118 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.858 0.604 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.011 0.190 -4.904 1.00 0.00 H new ATOM 0 HG SER A 77 14.897 -1.673 -5.722 1.00 0.00 H new ATOM 850 N ILE A 78 13.426 -0.002 -2.184 1.00 0.00 N ATOM 851 CA ILE A 78 13.501 -0.512 -0.818 1.00 0.00 C ATOM 852 C ILE A 78 13.456 -2.040 -0.784 1.00 0.00 C ATOM 853 O ILE A 78 13.734 -2.652 0.247 1.00 0.00 O ATOM 854 CB ILE A 78 12.359 0.044 0.053 1.00 0.00 C ATOM 855 CG1 ILE A 78 10.999 -0.379 -0.510 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.454 1.559 0.147 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.362 -1.526 0.245 1.00 0.00 C ATOM 0 H ILE A 78 12.547 -0.203 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 78 14.456 -0.176 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 78 12.456 -0.370 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.325 0.477 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.120 -0.665 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.640 1.937 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.409 1.837 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.381 1.991 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.402 -1.772 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.016 -2.397 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.208 -1.237 1.285 1.00 0.00 H new ATOM 869 N LYS A 79 13.105 -2.652 -1.914 1.00 0.00 N ATOM 870 CA LYS A 79 13.025 -4.105 -2.003 1.00 0.00 C ATOM 871 C LYS A 79 14.323 -4.757 -1.531 1.00 0.00 C ATOM 872 O LYS A 79 14.318 -5.881 -1.032 1.00 0.00 O ATOM 873 CB LYS A 79 12.718 -4.529 -3.442 1.00 0.00 C ATOM 874 CG LYS A 79 11.481 -5.402 -3.566 1.00 0.00 C ATOM 875 CD LYS A 79 11.652 -6.463 -4.643 1.00 0.00 C ATOM 876 CE LYS A 79 10.394 -6.615 -5.483 1.00 0.00 C ATOM 877 NZ LYS A 79 9.167 -6.671 -4.641 1.00 0.00 N ATOM 0 H LYS A 79 12.872 -2.163 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 79 12.219 -4.440 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.586 -3.637 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.575 -5.069 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.277 -5.883 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.617 -4.780 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.490 -6.197 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.898 -7.418 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.319 -5.779 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.465 -7.523 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.452 -7.264 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.401 -7.077 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.790 -5.710 -4.513 1.00 0.00 H new ATOM 891 N GLY A 80 15.432 -4.042 -1.692 1.00 0.00 N ATOM 892 CA GLY A 80 16.719 -4.566 -1.276 1.00 0.00 C ATOM 893 C GLY A 80 17.188 -3.975 0.039 1.00 0.00 C ATOM 894 O GLY A 80 18.387 -3.789 0.252 1.00 0.00 O ATOM 0 H GLY A 80 15.462 -3.109 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.653 -5.650 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.459 -4.358 -2.049 1.00 0.00 H new ATOM 898 N LYS A 81 16.241 -3.679 0.924 1.00 0.00 N ATOM 899 CA LYS A 81 16.562 -3.105 2.225 1.00 0.00 C ATOM 900 C LYS A 81 15.818 -3.834 3.339 1.00 0.00 C ATOM 901 O LYS A 81 14.911 -4.626 3.080 1.00 0.00 O ATOM 902 CB LYS A 81 16.210 -1.616 2.250 1.00 0.00 C ATOM 903 CG LYS A 81 16.879 -0.813 1.148 1.00 0.00 C ATOM 904 CD LYS A 81 16.937 0.666 1.493 1.00 0.00 C ATOM 905 CE LYS A 81 17.741 1.449 0.467 1.00 0.00 C ATOM 906 NZ LYS A 81 18.712 2.376 1.113 1.00 0.00 N ATOM 0 H LYS A 81 15.245 -3.827 0.763 1.00 0.00 H new ATOM 0 HA LYS A 81 17.633 -3.221 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.129 -1.506 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.496 -1.200 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.889 -1.189 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.333 -0.949 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.925 1.068 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.383 0.793 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.277 0.755 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.063 2.019 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.445 2.645 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.214 3.229 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.156 1.903 1.926 1.00 0.00 H new ATOM 920 N THR A 82 16.207 -3.561 4.582 1.00 0.00 N ATOM 921 CA THR A 82 15.576 -4.192 5.735 1.00 0.00 C ATOM 922 C THR A 82 14.577 -3.244 6.393 1.00 0.00 C ATOM 923 O THR A 82 14.457 -2.084 6.001 1.00 0.00 O ATOM 924 CB THR A 82 16.636 -4.621 6.753 1.00 0.00 C ATOM 925 OG1 THR A 82 17.912 -4.702 6.144 1.00 0.00 O ATOM 926 CG2 THR A 82 16.345 -5.961 7.390 1.00 0.00 C ATOM 0 H THR A 82 16.955 -2.908 4.815 1.00 0.00 H new ATOM 0 HA THR A 82 15.039 -5.074 5.387 1.00 0.00 H new ATOM 0 HB THR A 82 16.617 -3.856 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.576 -4.976 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.135 -6.205 8.101 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.389 -5.916 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.302 -6.729 6.618 1.00 0.00 H new ATOM 934 N LYS A 83 13.862 -3.748 7.393 1.00 0.00 N ATOM 935 CA LYS A 83 12.872 -2.945 8.105 1.00 0.00 C ATOM 936 C LYS A 83 13.516 -1.709 8.726 1.00 0.00 C ATOM 937 O LYS A 83 12.941 -0.622 8.705 1.00 0.00 O ATOM 938 CB LYS A 83 12.191 -3.780 9.191 1.00 0.00 C ATOM 939 CG LYS A 83 13.168 -4.467 10.132 1.00 0.00 C ATOM 940 CD LYS A 83 12.451 -5.099 11.314 1.00 0.00 C ATOM 941 CE LYS A 83 13.283 -5.008 12.584 1.00 0.00 C ATOM 942 NZ LYS A 83 12.933 -3.806 13.390 1.00 0.00 N ATOM 0 H LYS A 83 13.949 -4.707 7.729 1.00 0.00 H new ATOM 0 HA LYS A 83 12.122 -2.618 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.531 -3.136 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.564 -4.535 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.721 -5.233 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.898 -3.742 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.494 -4.601 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.235 -6.144 11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.130 -5.905 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.341 -4.976 12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.460 -3.824 14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.182 -2.947 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.912 -3.806 13.588 1.00 0.00 H new ATOM 956 N VAL A 84 14.713 -1.886 9.275 1.00 0.00 N ATOM 957 CA VAL A 84 15.435 -0.786 9.902 1.00 0.00 C ATOM 958 C VAL A 84 15.903 0.228 8.863 1.00 0.00 C ATOM 959 O VAL A 84 15.924 1.431 9.120 1.00 0.00 O ATOM 960 CB VAL A 84 16.655 -1.293 10.694 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.212 -1.999 11.966 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.506 -2.217 9.833 1.00 0.00 C ATOM 0 H VAL A 84 15.203 -2.780 9.298 1.00 0.00 H new ATOM 0 HA VAL A 84 14.740 -0.304 10.589 1.00 0.00 H new ATOM 0 HB VAL A 84 17.263 -0.433 10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.088 -2.350 12.511 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.650 -1.305 12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.580 -2.849 11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.363 -2.565 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.909 -3.073 9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.856 -1.675 8.954 1.00 0.00 H new ATOM 972 N GLU A 85 16.277 -0.268 7.687 1.00 0.00 N ATOM 973 CA GLU A 85 16.743 0.595 6.610 1.00 0.00 C ATOM 974 C GLU A 85 15.599 1.429 6.044 1.00 0.00 C ATOM 975 O GLU A 85 15.683 2.657 5.985 1.00 0.00 O ATOM 976 CB GLU A 85 17.379 -0.240 5.497 1.00 0.00 C ATOM 977 CG GLU A 85 18.665 -0.934 5.917 1.00 0.00 C ATOM 978 CD GLU A 85 19.697 0.034 6.463 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.581 0.419 7.647 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.621 0.405 5.710 1.00 0.00 O ATOM 0 H GLU A 85 16.266 -1.262 7.457 1.00 0.00 H new ATOM 0 HA GLU A 85 17.492 1.272 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.663 -0.991 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.586 0.405 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.438 -1.684 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.085 -1.463 5.061 1.00 0.00 H new ATOM 987 N VAL A 86 14.530 0.757 5.631 1.00 0.00 N ATOM 988 CA VAL A 86 13.368 1.437 5.072 1.00 0.00 C ATOM 989 C VAL A 86 12.762 2.405 6.081 1.00 0.00 C ATOM 990 O VAL A 86 12.414 3.535 5.741 1.00 0.00 O ATOM 991 CB VAL A 86 12.287 0.433 4.628 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.166 1.146 3.888 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.896 -0.661 3.764 1.00 0.00 C ATOM 0 H VAL A 86 14.444 -0.259 5.673 1.00 0.00 H new ATOM 0 HA VAL A 86 13.716 1.992 4.201 1.00 0.00 H new ATOM 0 HB VAL A 86 11.863 -0.033 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.412 0.420 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.711 1.887 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.570 1.642 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.117 -1.360 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.349 -0.215 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.659 -1.192 4.333 1.00 0.00 H new ATOM 1003 N ALA A 87 12.638 1.954 7.326 1.00 0.00 N ATOM 1004 CA ALA A 87 12.072 2.778 8.386 1.00 0.00 C ATOM 1005 C ALA A 87 12.847 4.082 8.543 1.00 0.00 C ATOM 1006 O ALA A 87 12.259 5.163 8.595 1.00 0.00 O ATOM 1007 CB ALA A 87 12.058 2.011 9.700 1.00 0.00 C ATOM 0 H ALA A 87 12.923 1.021 7.624 1.00 0.00 H new ATOM 0 HA ALA A 87 11.047 3.026 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.633 2.639 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.454 1.110 9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.077 1.734 9.970 1.00 0.00 H new ATOM 1013 N LYS A 88 14.170 3.974 8.616 1.00 0.00 N ATOM 1014 CA LYS A 88 15.023 5.147 8.766 1.00 0.00 C ATOM 1015 C LYS A 88 14.933 6.047 7.539 1.00 0.00 C ATOM 1016 O LYS A 88 15.069 7.267 7.639 1.00 0.00 O ATOM 1017 CB LYS A 88 16.475 4.720 9.000 1.00 0.00 C ATOM 1018 CG LYS A 88 16.935 4.891 10.439 1.00 0.00 C ATOM 1019 CD LYS A 88 16.984 3.559 11.172 1.00 0.00 C ATOM 1020 CE LYS A 88 18.332 2.878 10.999 1.00 0.00 C ATOM 1021 NZ LYS A 88 18.513 2.345 9.620 1.00 0.00 N ATOM 0 H LYS A 88 14.673 3.088 8.574 1.00 0.00 H new ATOM 0 HA LYS A 88 14.675 5.712 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.588 3.675 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.126 5.302 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.923 5.352 10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.259 5.569 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.789 3.719 12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.195 2.907 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 88 19.128 3.588 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.422 2.063 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.168 1.537 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.594 2.035 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.904 3.090 9.008 1.00 0.00 H new ATOM 1035 N MET A 89 14.703 5.440 6.379 1.00 0.00 N ATOM 1036 CA MET A 89 14.596 6.188 5.132 1.00 0.00 C ATOM 1037 C MET A 89 13.406 7.142 5.171 1.00 0.00 C ATOM 1038 O MET A 89 13.527 8.315 4.820 1.00 0.00 O ATOM 1039 CB MET A 89 14.459 5.230 3.947 1.00 0.00 C ATOM 1040 CG MET A 89 14.918 5.828 2.627 1.00 0.00 C ATOM 1041 SD MET A 89 16.020 4.733 1.710 1.00 0.00 S ATOM 1042 CE MET A 89 14.836 3.764 0.779 1.00 0.00 C ATOM 0 H MET A 89 14.587 4.432 6.277 1.00 0.00 H new ATOM 0 HA MET A 89 15.506 6.775 5.011 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.038 4.329 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.417 4.925 3.855 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.046 6.056 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.428 6.772 2.819 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.269 2.793 0.540 1.00 0.00 H new ATOM 0 HE2 MET A 89 13.934 3.623 1.374 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.584 4.286 -0.144 1.00 0.00 H new ATOM 1052 N ILE A 90 12.256 6.630 5.597 1.00 0.00 N ATOM 1053 CA ILE A 90 11.044 7.438 5.679 1.00 0.00 C ATOM 1054 C ILE A 90 11.169 8.503 6.763 1.00 0.00 C ATOM 1055 O ILE A 90 10.663 9.616 6.614 1.00 0.00 O ATOM 1056 CB ILE A 90 9.807 6.569 5.973 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.760 5.372 5.019 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.535 7.397 5.858 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.817 5.758 3.557 1.00 0.00 C ATOM 0 H ILE A 90 12.138 5.660 5.891 1.00 0.00 H new ATOM 0 HA ILE A 90 10.918 7.919 4.709 1.00 0.00 H new ATOM 0 HB ILE A 90 9.879 6.194 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.594 4.707 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.845 4.809 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.671 6.767 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.569 8.218 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.453 7.800 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.779 4.859 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.968 6.398 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.744 6.295 3.358 1.00 0.00 H new ATOM 1071 N GLN A 91 11.848 8.156 7.852 1.00 0.00 N ATOM 1072 CA GLN A 91 12.040 9.084 8.960 1.00 0.00 C ATOM 1073 C GLN A 91 12.971 10.224 8.559 1.00 0.00 C ATOM 1074 O GLN A 91 12.891 11.325 9.105 1.00 0.00 O ATOM 1075 CB GLN A 91 12.608 8.350 10.175 1.00 0.00 C ATOM 1076 CG GLN A 91 11.546 7.682 11.034 1.00 0.00 C ATOM 1077 CD GLN A 91 11.950 7.593 12.492 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.933 8.199 12.915 1.00 0.00 O ATOM 1079 NE2 GLN A 91 11.189 6.829 13.270 1.00 0.00 N ATOM 0 H GLN A 91 12.274 7.240 7.990 1.00 0.00 H new ATOM 0 HA GLN A 91 11.069 9.506 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.316 7.594 9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.167 9.057 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.613 8.240 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.352 6.680 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.382 6.344 12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.412 6.728 14.260 1.00 0.00 H new ATOM 1088 N GLU A 92 13.856 9.954 7.602 1.00 0.00 N ATOM 1089 CA GLU A 92 14.802 10.958 7.131 1.00 0.00 C ATOM 1090 C GLU A 92 14.144 11.898 6.127 1.00 0.00 C ATOM 1091 O GLU A 92 14.234 13.119 6.254 1.00 0.00 O ATOM 1092 CB GLU A 92 16.017 10.282 6.493 1.00 0.00 C ATOM 1093 CG GLU A 92 16.887 9.531 7.487 1.00 0.00 C ATOM 1094 CD GLU A 92 17.874 10.435 8.199 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.483 11.067 9.202 1.00 0.00 O ATOM 1096 OE2 GLU A 92 19.038 10.513 7.752 1.00 0.00 O ATOM 0 H GLU A 92 13.936 9.049 7.139 1.00 0.00 H new ATOM 0 HA GLU A 92 15.129 11.545 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.675 9.588 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.622 11.038 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.250 9.042 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.432 8.744 6.965 1.00 0.00 H new ATOM 1103 N VAL A 93 13.482 11.322 5.129 1.00 0.00 N ATOM 1104 CA VAL A 93 12.810 12.110 4.103 1.00 0.00 C ATOM 1105 C VAL A 93 11.761 13.033 4.716 1.00 0.00 C ATOM 1106 O VAL A 93 11.225 12.754 5.790 1.00 0.00 O ATOM 1107 CB VAL A 93 12.137 11.205 3.050 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.075 10.327 3.696 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.540 12.042 1.928 1.00 0.00 C ATOM 0 H VAL A 93 13.397 10.313 5.009 1.00 0.00 H new ATOM 0 HA VAL A 93 13.575 12.713 3.614 1.00 0.00 H new ATOM 0 HB VAL A 93 12.898 10.554 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.613 9.697 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.537 9.698 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.314 10.956 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.070 11.386 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.793 12.721 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.329 12.619 1.445 1.00 0.00 H new ATOM 1119 N LYS A 94 11.473 14.133 4.029 1.00 0.00 N ATOM 1120 CA LYS A 94 10.488 15.097 4.507 1.00 0.00 C ATOM 1121 C LYS A 94 9.559 15.530 3.377 1.00 0.00 C ATOM 1122 O LYS A 94 9.814 15.246 2.207 1.00 0.00 O ATOM 1123 CB LYS A 94 11.190 16.320 5.101 1.00 0.00 C ATOM 1124 CG LYS A 94 12.149 15.983 6.233 1.00 0.00 C ATOM 1125 CD LYS A 94 11.704 16.601 7.550 1.00 0.00 C ATOM 1126 CE LYS A 94 12.546 17.813 7.914 1.00 0.00 C ATOM 1127 NZ LYS A 94 13.298 17.607 9.182 1.00 0.00 N ATOM 0 H LYS A 94 11.907 14.379 3.140 1.00 0.00 H new ATOM 0 HA LYS A 94 9.890 14.616 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.739 16.832 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.437 17.017 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.216 14.901 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.148 16.340 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.656 16.893 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.774 15.857 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.247 18.023 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.901 18.686 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.859 18.456 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.628 17.431 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.932 16.789 9.080 1.00 0.00 H new ATOM 1141 N GLY A 95 8.481 16.218 3.737 1.00 0.00 N ATOM 1142 CA GLY A 95 7.530 16.680 2.743 1.00 0.00 C ATOM 1143 C GLY A 95 6.710 15.549 2.153 1.00 0.00 C ATOM 1144 O GLY A 95 6.437 14.555 2.825 1.00 0.00 O ATOM 0 H GLY A 95 8.249 16.464 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.861 17.411 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.065 17.192 1.943 1.00 0.00 H new ATOM 1148 N GLU A 96 6.317 15.700 0.892 1.00 0.00 N ATOM 1149 CA GLU A 96 5.524 14.684 0.211 1.00 0.00 C ATOM 1150 C GLU A 96 6.396 13.504 -0.209 1.00 0.00 C ATOM 1151 O GLU A 96 7.370 13.670 -0.943 1.00 0.00 O ATOM 1152 CB GLU A 96 4.834 15.284 -1.015 1.00 0.00 C ATOM 1153 CG GLU A 96 5.800 15.798 -2.069 1.00 0.00 C ATOM 1154 CD GLU A 96 5.110 16.613 -3.147 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.456 17.619 -2.802 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.222 16.243 -4.335 1.00 0.00 O ATOM 0 H GLU A 96 6.535 16.517 0.321 1.00 0.00 H new ATOM 0 HA GLU A 96 4.766 14.323 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.189 14.529 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.191 16.103 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.563 16.410 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.312 14.953 -2.530 1.00 0.00 H new ATOM 1163 N VAL A 97 6.036 12.315 0.261 1.00 0.00 N ATOM 1164 CA VAL A 97 6.786 11.107 -0.064 1.00 0.00 C ATOM 1165 C VAL A 97 6.003 10.218 -1.025 1.00 0.00 C ATOM 1166 O VAL A 97 4.773 10.175 -0.983 1.00 0.00 O ATOM 1167 CB VAL A 97 7.127 10.298 1.201 1.00 0.00 C ATOM 1168 CG1 VAL A 97 8.186 11.015 2.024 1.00 0.00 C ATOM 1169 CG2 VAL A 97 5.876 10.049 2.029 1.00 0.00 C ATOM 0 H VAL A 97 5.230 12.162 0.868 1.00 0.00 H new ATOM 0 HA VAL A 97 7.712 11.429 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 97 7.530 9.333 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.414 10.428 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.090 11.136 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.814 11.995 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.137 9.476 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.441 11.003 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.153 9.489 1.436 1.00 0.00 H new ATOM 1179 N THR A 98 6.724 9.510 -1.889 1.00 0.00 N ATOM 1180 CA THR A 98 6.096 8.623 -2.861 1.00 0.00 C ATOM 1181 C THR A 98 6.508 7.174 -2.621 1.00 0.00 C ATOM 1182 O THR A 98 7.626 6.774 -2.946 1.00 0.00 O ATOM 1183 CB THR A 98 6.469 9.044 -4.283 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.218 10.424 -4.480 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.711 8.283 -5.350 1.00 0.00 C ATOM 0 H THR A 98 7.743 9.534 -1.936 1.00 0.00 H new ATOM 0 HA THR A 98 5.015 8.699 -2.740 1.00 0.00 H new ATOM 0 HB THR A 98 7.531 8.818 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.464 10.674 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.023 8.630 -6.335 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.922 7.218 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.641 8.453 -5.227 1.00 0.00 H new ATOM 1193 N ILE A 99 5.596 6.392 -2.051 1.00 0.00 N ATOM 1194 CA ILE A 99 5.863 4.988 -1.768 1.00 0.00 C ATOM 1195 C ILE A 99 5.253 4.087 -2.837 1.00 0.00 C ATOM 1196 O ILE A 99 4.074 4.212 -3.169 1.00 0.00 O ATOM 1197 CB ILE A 99 5.314 4.579 -0.385 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.894 5.483 0.704 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.630 3.118 -0.092 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.145 6.788 0.868 1.00 0.00 C ATOM 0 H ILE A 99 4.666 6.708 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 99 6.946 4.863 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 99 4.231 4.698 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.885 4.947 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.936 5.699 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.234 2.850 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.172 2.487 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.710 2.971 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.611 7.378 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.175 7.345 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.108 6.582 1.134 1.00 0.00 H new ATOM 1212 N HIS A 100 6.063 3.179 -3.369 1.00 0.00 N ATOM 1213 CA HIS A 100 5.604 2.255 -4.399 1.00 0.00 C ATOM 1214 C HIS A 100 5.132 0.944 -3.779 1.00 0.00 C ATOM 1215 O HIS A 100 5.942 0.115 -3.365 1.00 0.00 O ATOM 1216 CB HIS A 100 6.723 1.982 -5.406 1.00 0.00 C ATOM 1217 CG HIS A 100 7.381 3.223 -5.920 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.391 3.573 -7.254 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.055 4.203 -5.273 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.042 4.713 -7.403 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.455 5.116 -6.216 1.00 0.00 N ATOM 0 H HIS A 100 7.041 3.063 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 100 4.764 2.716 -4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.476 1.349 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.315 1.422 -6.247 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.963 3.036 -8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.243 4.256 -4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.208 5.228 -8.338 1.00 0.00 H new ATOM 1230 N TYR A 101 3.817 0.765 -3.718 1.00 0.00 N ATOM 1231 CA TYR A 101 3.237 -0.445 -3.146 1.00 0.00 C ATOM 1232 C TYR A 101 2.634 -1.328 -4.232 1.00 0.00 C ATOM 1233 O TYR A 101 2.496 -0.912 -5.382 1.00 0.00 O ATOM 1234 CB TYR A 101 2.166 -0.082 -2.116 1.00 0.00 C ATOM 1235 CG TYR A 101 0.978 0.643 -2.707 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.015 2.014 -2.923 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.180 -0.045 -3.047 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.069 2.680 -3.463 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.267 0.614 -3.589 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.207 1.976 -3.794 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.289 2.635 -4.332 1.00 0.00 O ATOM 0 H TYR A 101 3.133 1.441 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 101 4.034 -1.002 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.819 -0.993 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.614 0.542 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.905 2.569 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.232 -1.112 -2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.025 3.747 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.159 0.065 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.008 1.993 -4.509 1.00 0.00 H new ATOM 1251 N ASN A 102 2.273 -2.551 -3.857 1.00 0.00 N ATOM 1252 CA ASN A 102 1.681 -3.497 -4.793 1.00 0.00 C ATOM 1253 C ASN A 102 0.469 -4.182 -4.172 1.00 0.00 C ATOM 1254 O ASN A 102 0.592 -4.905 -3.184 1.00 0.00 O ATOM 1255 CB ASN A 102 2.714 -4.544 -5.217 1.00 0.00 C ATOM 1256 CG ASN A 102 3.404 -4.182 -6.516 1.00 0.00 C ATOM 1257 OD1 ASN A 102 2.807 -4.245 -7.591 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.674 -3.799 -6.426 1.00 0.00 N ATOM 0 H ASN A 102 2.381 -2.910 -2.908 1.00 0.00 H new ATOM 0 HA ASN A 102 1.355 -2.945 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.461 -4.653 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.223 -5.511 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.191 -3.544 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.132 -3.760 -5.515 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.702 -3.949 -4.756 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.936 -4.544 -4.255 1.00 0.00 C ATOM 1267 C LYS A 103 -1.958 -6.047 -4.511 1.00 0.00 C ATOM 1268 O LYS A 103 -1.669 -6.503 -5.618 1.00 0.00 O ATOM 1269 CB LYS A 103 -3.149 -3.878 -4.910 1.00 0.00 C ATOM 1270 CG LYS A 103 -4.095 -3.226 -3.915 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.876 -4.264 -3.126 1.00 0.00 C ATOM 1272 CE LYS A 103 -6.314 -3.826 -2.899 1.00 0.00 C ATOM 1273 NZ LYS A 103 -7.237 -4.989 -2.783 1.00 0.00 N ATOM 0 H LYS A 103 -0.822 -3.353 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.981 -4.380 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.802 -3.124 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.697 -4.625 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.527 -2.598 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.788 -2.573 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.864 -5.214 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.390 -4.433 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.371 -3.225 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.634 -3.189 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.207 -4.648 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.202 -5.549 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.947 -5.583 -1.980 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.304 -6.813 -3.481 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.363 -8.266 -3.593 1.00 0.00 C ATOM 1289 C LEU A 104 -3.768 -8.779 -3.294 1.00 0.00 C ATOM 1290 O LEU A 104 -4.691 -7.995 -3.068 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.357 -8.914 -2.640 1.00 0.00 C ATOM 1292 CG LEU A 104 0.041 -9.126 -3.221 1.00 0.00 C ATOM 1293 CD1 LEU A 104 -0.034 -9.923 -4.515 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.728 -7.790 -3.455 1.00 0.00 C ATOM 0 H LEU A 104 -2.548 -6.451 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.108 -8.536 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.273 -8.293 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.751 -9.879 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 104 0.631 -9.695 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.970 -10.064 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.486 -10.895 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.640 -9.382 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.722 -7.960 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.140 -7.196 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.815 -7.255 -2.509 1.00 0.00 H new ATOM 1307 N GLU B 121 8.873 -9.029 14.189 1.00 0.00 N ATOM 1308 CA GLU B 121 8.947 -7.641 14.630 1.00 0.00 C ATOM 1309 C GLU B 121 8.765 -6.686 13.455 1.00 0.00 C ATOM 1310 O GLU B 121 9.369 -6.864 12.397 1.00 0.00 O ATOM 1311 CB GLU B 121 10.288 -7.374 15.316 1.00 0.00 C ATOM 1312 CG GLU B 121 10.278 -7.669 16.807 1.00 0.00 C ATOM 1313 CD GLU B 121 10.876 -6.545 17.630 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.915 -5.993 17.214 1.00 0.00 O ATOM 1315 OE2 GLU B 121 10.303 -6.216 18.689 1.00 0.00 O ATOM 0 HA GLU B 121 8.141 -7.469 15.343 1.00 0.00 H new ATOM 0 HB2 GLU B 121 11.058 -7.981 14.839 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.564 -6.331 15.162 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.252 -7.845 17.131 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.834 -8.587 16.995 1.00 0.00 H new ATOM 1322 N SER B 122 7.928 -5.671 13.649 1.00 0.00 N ATOM 1323 CA SER B 122 7.665 -4.686 12.605 1.00 0.00 C ATOM 1324 C SER B 122 7.979 -3.277 13.097 1.00 0.00 C ATOM 1325 O SER B 122 7.855 -2.980 14.286 1.00 0.00 O ATOM 1326 CB SER B 122 6.206 -4.768 12.155 1.00 0.00 C ATOM 1327 OG SER B 122 5.339 -4.942 13.263 1.00 0.00 O ATOM 0 H SER B 122 7.421 -5.509 14.519 1.00 0.00 H new ATOM 0 HA SER B 122 8.313 -4.909 11.757 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.936 -3.859 11.618 1.00 0.00 H new ATOM 0 HB3 SER B 122 6.083 -5.598 11.459 1.00 0.00 H new ATOM 0 HG SER B 122 4.412 -4.990 12.949 1.00 0.00 H new ATOM 1333 N VAL B 123 8.388 -2.411 12.175 1.00 0.00 N ATOM 1334 CA VAL B 123 8.720 -1.032 12.514 1.00 0.00 C ATOM 1335 C VAL B 123 7.662 -0.068 11.988 1.00 0.00 C ATOM 1336 O VAL B 123 7.221 -0.179 10.844 1.00 0.00 O ATOM 1337 CB VAL B 123 10.093 -0.629 11.945 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.500 0.746 12.451 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.145 -1.670 12.299 1.00 0.00 C ATOM 0 H VAL B 123 8.497 -2.640 11.187 1.00 0.00 H new ATOM 0 HA VAL B 123 8.754 -0.973 13.602 1.00 0.00 H new ATOM 0 HB VAL B 123 10.015 -0.581 10.859 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.473 1.013 12.038 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.759 1.482 12.139 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.560 0.730 13.539 1.00 0.00 H new ATOM 0 HG21 VAL B 123 12.108 -1.368 11.888 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.223 -1.755 13.383 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.858 -2.634 11.880 1.00 0.00 H new ATOM 1349 N LYS B 124 7.259 0.877 12.830 1.00 0.00 N ATOM 1350 CA LYS B 124 6.254 1.862 12.449 1.00 0.00 C ATOM 1351 C LYS B 124 6.897 3.217 12.171 1.00 0.00 C ATOM 1352 O LYS B 124 7.777 3.661 12.909 1.00 0.00 O ATOM 1353 CB LYS B 124 5.201 2.002 13.550 1.00 0.00 C ATOM 1354 CG LYS B 124 3.892 2.602 13.064 1.00 0.00 C ATOM 1355 CD LYS B 124 3.399 3.701 13.994 1.00 0.00 C ATOM 1356 CE LYS B 124 2.805 4.865 13.216 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.775 5.986 13.065 1.00 0.00 N ATOM 0 H LYS B 124 7.613 0.982 13.781 1.00 0.00 H new ATOM 0 HA LYS B 124 5.771 1.514 11.536 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.004 1.020 13.980 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.603 2.625 14.349 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.027 3.007 12.061 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.137 1.819 12.993 1.00 0.00 H new ATOM 0 HD2 LYS B 124 2.649 3.295 14.673 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.226 4.057 14.609 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.492 4.521 12.230 1.00 0.00 H new ATOM 0 HE3 LYS B 124 1.912 5.224 13.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.283 6.892 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.528 5.891 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.192 5.958 12.113 1.00 0.00 H new ATOM 1371 N ILE B 125 6.452 3.870 11.102 1.00 0.00 N ATOM 1372 CA ILE B 125 6.984 5.173 10.727 1.00 0.00 C ATOM 1373 C ILE B 125 5.910 6.039 10.076 1.00 0.00 C ATOM 1374 O ILE B 125 6.250 7.138 9.593 1.00 0.00 O ATOM 1375 CB ILE B 125 8.178 5.044 9.758 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.866 4.037 8.647 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.431 4.631 10.515 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.202 4.658 7.437 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.738 5.608 10.057 1.00 0.00 O ATOM 0 H ILE B 125 5.724 3.517 10.481 1.00 0.00 H new ATOM 0 HA ILE B 125 7.325 5.647 11.647 1.00 0.00 H new ATOM 0 HB ILE B 125 8.355 6.016 9.298 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.792 3.554 8.335 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.218 3.257 9.046 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.265 4.544 9.818 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.665 5.383 11.269 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.262 3.670 11.001 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.011 3.887 6.691 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.259 5.117 7.735 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.857 5.418 7.012 1.00 0.00 H new