USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 119 LYS NZ :NH3+ -124:sc= 0.092 (180deg=0) USER MOD Set 1.2: A 121 GLN : amide:sc= 0.0897 X(o=0.18,f=0) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.611 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -154:sc= 0.509 (180deg=-0.936) USER MOD Single : A 50 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.5!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 152:sc= 1.2 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.08) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0116 USER MOD Single : A 84 ASN : amide:sc= 0.72 K(o=0.72,f=-3!) USER MOD Single : A 85 THR OG1 : rot -76:sc= 0.108 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.146 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 1.13 K(o=1.1,f=-0.055) USER MOD Single : A 98 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.33) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.6!) USER MOD Single : A 103 ASN : amide:sc= -0.133 K(o=-0.13,f=-4.3!) USER MOD Single : A 105 MET CE :methyl 163:sc= -0.0937 (180deg=-0.54) USER MOD Single : A 109 GLN : amide:sc= -0.954 X(o=-0.95,f=-1.4) USER MOD Single : A 112 LYS NZ :NH3+ 141:sc= 1.22 (180deg=-0.212) USER MOD Single : A 117 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00984 USER MOD Single : A 122 MET CE :methyl -157:sc= -0.213 (180deg=-0.802) USER MOD Single : A 127 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -18.173 4.856 -14.817 1.00 0.00 N ATOM 2 CA ALA A 49 -16.997 4.091 -14.344 1.00 0.00 C ATOM 3 C ALA A 49 -15.923 5.042 -13.833 1.00 0.00 C ATOM 4 O ALA A 49 -16.056 6.259 -13.975 1.00 0.00 O ATOM 5 CB ALA A 49 -16.446 3.215 -15.460 1.00 0.00 C ATOM 0 HA ALA A 49 -17.309 3.444 -13.524 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.582 2.660 -15.094 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.215 2.515 -15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.146 3.842 -16.300 1.00 0.00 H new ATOM 13 N ASN A 50 -14.868 4.480 -13.238 1.00 0.00 N ATOM 14 CA ASN A 50 -13.774 5.268 -12.668 1.00 0.00 C ATOM 15 C ASN A 50 -14.321 6.175 -11.564 1.00 0.00 C ATOM 16 O ASN A 50 -14.114 7.392 -11.564 1.00 0.00 O ATOM 17 CB ASN A 50 -13.072 6.093 -13.761 1.00 0.00 C ATOM 18 CG ASN A 50 -11.683 6.573 -13.363 1.00 0.00 C ATOM 19 OD1 ASN A 50 -11.381 6.760 -12.185 1.00 0.00 O ATOM 20 ND2 ASN A 50 -10.825 6.784 -14.351 1.00 0.00 N ATOM 0 H ASN A 50 -14.749 3.472 -13.138 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.034 4.594 -12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.994 5.490 -14.666 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.690 6.957 -14.006 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.881 7.112 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.109 6.619 -15.317 1.00 0.00 H new ATOM 27 N GLN A 51 -15.053 5.566 -10.639 1.00 0.00 N ATOM 28 CA GLN A 51 -15.685 6.294 -9.550 1.00 0.00 C ATOM 29 C GLN A 51 -14.783 6.302 -8.329 1.00 0.00 C ATOM 30 O GLN A 51 -13.946 5.415 -8.157 1.00 0.00 O ATOM 31 CB GLN A 51 -17.022 5.645 -9.190 1.00 0.00 C ATOM 32 CG GLN A 51 -17.971 5.514 -10.365 1.00 0.00 C ATOM 33 CD GLN A 51 -19.178 4.665 -10.035 1.00 0.00 C ATOM 34 OE1 GLN A 51 -20.214 5.172 -9.602 1.00 0.00 O ATOM 35 NE2 GLN A 51 -19.041 3.363 -10.218 1.00 0.00 N ATOM 0 H GLN A 51 -15.223 4.560 -10.624 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.857 7.320 -9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -16.835 4.655 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -17.503 6.234 -8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -18.301 6.506 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -17.441 5.075 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.164 2.988 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -19.813 2.733 -9.998 1.00 0.00 H new ATOM 44 N GLN A 52 -14.959 7.295 -7.479 1.00 0.00 N ATOM 45 CA GLN A 52 -14.191 7.385 -6.253 1.00 0.00 C ATOM 46 C GLN A 52 -14.928 6.645 -5.139 1.00 0.00 C ATOM 47 O GLN A 52 -15.316 7.231 -4.129 1.00 0.00 O ATOM 48 CB GLN A 52 -13.956 8.854 -5.882 1.00 0.00 C ATOM 49 CG GLN A 52 -12.937 9.058 -4.772 1.00 0.00 C ATOM 50 CD GLN A 52 -12.722 10.522 -4.436 1.00 0.00 C ATOM 51 OE1 GLN A 52 -13.406 11.080 -3.581 1.00 0.00 O ATOM 52 NE2 GLN A 52 -11.769 11.157 -5.100 1.00 0.00 N ATOM 0 H GLN A 52 -15.629 8.052 -7.616 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.216 6.918 -6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.624 9.393 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.904 9.297 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.269 8.529 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.987 8.615 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.221 10.662 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.583 12.141 -4.908 1.00 0.00 H new ATOM 61 N THR A 53 -15.140 5.350 -5.352 1.00 0.00 N ATOM 62 CA THR A 53 -15.826 4.506 -4.384 1.00 0.00 C ATOM 63 C THR A 53 -15.024 4.418 -3.090 1.00 0.00 C ATOM 64 O THR A 53 -15.568 4.549 -1.991 1.00 0.00 O ATOM 65 CB THR A 53 -16.035 3.089 -4.951 1.00 0.00 C ATOM 66 OG1 THR A 53 -16.575 3.175 -6.278 1.00 0.00 O ATOM 67 CG2 THR A 53 -16.976 2.276 -4.073 1.00 0.00 C ATOM 0 H THR A 53 -14.843 4.860 -6.196 1.00 0.00 H new ATOM 0 HA THR A 53 -16.797 4.955 -4.176 1.00 0.00 H new ATOM 0 HB THR A 53 -15.068 2.587 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.705 2.273 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.103 1.281 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.555 2.190 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.944 2.774 -4.019 1.00 0.00 H new ATOM 75 N SER A 54 -13.727 4.203 -3.235 1.00 0.00 N ATOM 76 CA SER A 54 -12.828 4.163 -2.100 1.00 0.00 C ATOM 77 C SER A 54 -12.437 5.581 -1.708 1.00 0.00 C ATOM 78 O SER A 54 -12.100 6.393 -2.574 1.00 0.00 O ATOM 79 CB SER A 54 -11.572 3.370 -2.462 1.00 0.00 C ATOM 80 OG SER A 54 -11.896 2.185 -3.170 1.00 0.00 O ATOM 0 H SER A 54 -13.273 4.053 -4.136 1.00 0.00 H new ATOM 0 HA SER A 54 -13.331 3.679 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.911 3.989 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.026 3.115 -1.554 1.00 0.00 H new ATOM 0 HG SER A 54 -11.148 1.937 -3.752 1.00 0.00 H new ATOM 86 N GLY A 55 -12.520 5.886 -0.415 1.00 0.00 N ATOM 87 CA GLY A 55 -12.032 7.160 0.079 1.00 0.00 C ATOM 88 C GLY A 55 -10.555 7.317 -0.199 1.00 0.00 C ATOM 89 O GLY A 55 -9.724 6.753 0.513 1.00 0.00 O ATOM 0 H GLY A 55 -12.916 5.273 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.583 7.973 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.214 7.232 1.151 1.00 0.00 H new ATOM 93 N LYS A 56 -10.235 8.084 -1.229 1.00 0.00 N ATOM 94 CA LYS A 56 -8.879 8.166 -1.739 1.00 0.00 C ATOM 95 C LYS A 56 -7.927 8.798 -0.733 1.00 0.00 C ATOM 96 O LYS A 56 -8.249 9.792 -0.077 1.00 0.00 O ATOM 97 CB LYS A 56 -8.859 8.949 -3.048 1.00 0.00 C ATOM 98 CG LYS A 56 -9.516 8.219 -4.207 1.00 0.00 C ATOM 99 CD LYS A 56 -8.571 7.228 -4.855 1.00 0.00 C ATOM 100 CE LYS A 56 -9.257 6.485 -5.983 1.00 0.00 C ATOM 101 NZ LYS A 56 -8.357 5.501 -6.643 1.00 0.00 N ATOM 0 H LYS A 56 -10.906 8.664 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.533 7.148 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.364 9.903 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.825 9.174 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.403 7.696 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.850 8.943 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.695 7.752 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.216 6.517 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.134 5.967 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.613 7.202 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.843 5.080 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.493 5.982 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.105 4.753 -5.966 1.00 0.00 H new ATOM 115 N VAL A 57 -6.758 8.197 -0.627 1.00 0.00 N ATOM 116 CA VAL A 57 -5.694 8.677 0.230 1.00 0.00 C ATOM 117 C VAL A 57 -4.730 9.525 -0.581 1.00 0.00 C ATOM 118 O VAL A 57 -4.203 9.072 -1.598 1.00 0.00 O ATOM 119 CB VAL A 57 -4.909 7.503 0.855 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.927 7.990 1.908 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.857 6.462 1.424 1.00 0.00 C ATOM 0 H VAL A 57 -6.518 7.350 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.146 9.267 1.028 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.328 7.031 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.391 7.138 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.215 8.677 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.470 8.504 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.281 5.645 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.478 6.918 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.493 6.075 0.628 1.00 0.00 H new ATOM 131 N LEU A 58 -4.515 10.750 -0.148 1.00 0.00 N ATOM 132 CA LEU A 58 -3.573 11.624 -0.814 1.00 0.00 C ATOM 133 C LEU A 58 -2.214 11.516 -0.138 1.00 0.00 C ATOM 134 O LEU A 58 -2.049 11.936 1.006 1.00 0.00 O ATOM 135 CB LEU A 58 -4.071 13.070 -0.771 1.00 0.00 C ATOM 136 CG LEU A 58 -3.188 14.087 -1.495 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.387 13.981 -2.994 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.490 15.498 -1.015 1.00 0.00 C ATOM 0 H LEU A 58 -4.979 11.162 0.661 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.480 11.322 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.070 13.106 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.166 13.373 0.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.146 13.865 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.753 14.710 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.121 12.978 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.431 14.179 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.851 16.206 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.535 15.734 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.300 15.566 0.056 1.00 0.00 H new ATOM 150 N TYR A 59 -1.252 10.945 -0.841 1.00 0.00 N ATOM 151 CA TYR A 59 0.098 10.822 -0.318 1.00 0.00 C ATOM 152 C TYR A 59 1.040 11.672 -1.171 1.00 0.00 C ATOM 153 O TYR A 59 1.090 11.513 -2.395 1.00 0.00 O ATOM 154 CB TYR A 59 0.550 9.341 -0.287 1.00 0.00 C ATOM 155 CG TYR A 59 1.256 8.876 -1.547 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.554 8.647 -2.724 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.636 8.706 -1.563 1.00 0.00 C ATOM 158 CE1 TYR A 59 1.208 8.268 -3.881 1.00 0.00 C ATOM 159 CE2 TYR A 59 3.295 8.319 -2.713 1.00 0.00 C ATOM 160 CZ TYR A 59 2.581 8.105 -3.871 1.00 0.00 C ATOM 161 OH TYR A 59 3.242 7.726 -5.019 1.00 0.00 O ATOM 0 H TYR A 59 -1.380 10.559 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 59 0.122 11.183 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.216 9.195 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.323 8.710 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.519 8.767 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.202 8.880 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.649 8.100 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.367 8.185 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 59 2.756 8.060 -5.802 1.00 0.00 H new ATOM 171 N GLU A 60 1.720 12.621 -0.532 1.00 0.00 N ATOM 172 CA GLU A 60 2.715 13.482 -1.191 1.00 0.00 C ATOM 173 C GLU A 60 2.099 14.424 -2.241 1.00 0.00 C ATOM 174 O GLU A 60 2.658 15.480 -2.543 1.00 0.00 O ATOM 175 CB GLU A 60 3.814 12.629 -1.823 1.00 0.00 C ATOM 176 CG GLU A 60 4.482 11.688 -0.835 1.00 0.00 C ATOM 177 CD GLU A 60 5.298 12.411 0.213 1.00 0.00 C ATOM 178 OE1 GLU A 60 4.726 12.823 1.244 1.00 0.00 O ATOM 179 OE2 GLU A 60 6.521 12.561 0.015 1.00 0.00 O ATOM 0 H GLU A 60 1.600 12.820 0.461 1.00 0.00 H new ATOM 0 HA GLU A 60 3.142 14.118 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.388 12.046 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.569 13.284 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.718 11.087 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.128 10.999 -1.379 1.00 0.00 H new ATOM 186 N GLY A 61 0.951 14.046 -2.778 1.00 0.00 N ATOM 187 CA GLY A 61 0.313 14.820 -3.820 1.00 0.00 C ATOM 188 C GLY A 61 -0.425 13.951 -4.825 1.00 0.00 C ATOM 189 O GLY A 61 -1.043 14.462 -5.758 1.00 0.00 O ATOM 0 H GLY A 61 0.443 13.204 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.388 15.522 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.066 15.412 -4.341 1.00 0.00 H new ATOM 193 N LYS A 62 -0.353 12.634 -4.654 1.00 0.00 N ATOM 194 CA LYS A 62 -1.103 11.717 -5.503 1.00 0.00 C ATOM 195 C LYS A 62 -2.196 11.033 -4.697 1.00 0.00 C ATOM 196 O LYS A 62 -2.056 10.837 -3.492 1.00 0.00 O ATOM 197 CB LYS A 62 -0.193 10.660 -6.116 1.00 0.00 C ATOM 198 CG LYS A 62 -0.850 9.917 -7.266 1.00 0.00 C ATOM 199 CD LYS A 62 0.054 8.847 -7.846 1.00 0.00 C ATOM 200 CE LYS A 62 1.373 9.426 -8.321 1.00 0.00 C ATOM 201 NZ LYS A 62 2.218 8.402 -8.991 1.00 0.00 N ATOM 0 H LYS A 62 0.215 12.180 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.549 12.300 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.721 11.135 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.097 9.945 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.776 9.459 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.119 10.627 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.242 8.082 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.450 8.357 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.181 10.247 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.913 9.843 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.110 8.837 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.422 7.630 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.713 8.022 -9.817 1.00 0.00 H new ATOM 215 N GLU A 63 -3.274 10.667 -5.370 1.00 0.00 N ATOM 216 CA GLU A 63 -4.409 10.024 -4.724 1.00 0.00 C ATOM 217 C GLU A 63 -4.472 8.544 -5.076 1.00 0.00 C ATOM 218 O GLU A 63 -4.301 8.164 -6.234 1.00 0.00 O ATOM 219 CB GLU A 63 -5.713 10.698 -5.142 1.00 0.00 C ATOM 220 CG GLU A 63 -5.932 12.055 -4.503 1.00 0.00 C ATOM 221 CD GLU A 63 -7.157 12.758 -5.043 1.00 0.00 C ATOM 222 OE1 GLU A 63 -8.285 12.285 -4.781 1.00 0.00 O ATOM 223 OE2 GLU A 63 -7.001 13.790 -5.728 1.00 0.00 O ATOM 0 H GLU A 63 -3.388 10.806 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.277 10.125 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.721 10.812 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.547 10.046 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.033 11.933 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.054 12.679 -4.673 1.00 0.00 H new ATOM 230 N PHE A 64 -4.717 7.719 -4.073 1.00 0.00 N ATOM 231 CA PHE A 64 -4.886 6.285 -4.271 1.00 0.00 C ATOM 232 C PHE A 64 -5.995 5.762 -3.372 1.00 0.00 C ATOM 233 O PHE A 64 -6.445 6.479 -2.498 1.00 0.00 O ATOM 234 CB PHE A 64 -3.579 5.551 -3.991 1.00 0.00 C ATOM 235 CG PHE A 64 -2.933 5.023 -5.238 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.329 3.813 -5.780 1.00 0.00 C ATOM 237 CD2 PHE A 64 -1.933 5.741 -5.871 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.743 3.331 -6.934 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.341 5.265 -7.024 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.746 4.057 -7.556 1.00 0.00 C ATOM 0 H PHE A 64 -4.805 8.019 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.164 6.104 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.888 6.227 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.771 4.724 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.105 3.239 -5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.612 6.686 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.064 2.387 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.563 5.836 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.284 3.680 -8.457 1.00 0.00 H new ATOM 250 N ASP A 65 -6.444 4.530 -3.590 1.00 0.00 N ATOM 251 CA ASP A 65 -7.546 3.966 -2.795 1.00 0.00 C ATOM 252 C ASP A 65 -7.176 3.951 -1.323 1.00 0.00 C ATOM 253 O ASP A 65 -7.768 4.653 -0.508 1.00 0.00 O ATOM 254 CB ASP A 65 -7.877 2.533 -3.226 1.00 0.00 C ATOM 255 CG ASP A 65 -8.640 2.444 -4.529 1.00 0.00 C ATOM 256 OD1 ASP A 65 -8.284 3.168 -5.479 1.00 0.00 O ATOM 257 OD2 ASP A 65 -9.595 1.639 -4.600 1.00 0.00 O ATOM 0 H ASP A 65 -6.070 3.903 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.419 4.597 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.949 1.969 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.462 2.054 -2.441 1.00 0.00 H new ATOM 262 N TYR A 66 -6.183 3.142 -1.002 1.00 0.00 N ATOM 263 CA TYR A 66 -5.697 3.013 0.360 1.00 0.00 C ATOM 264 C TYR A 66 -4.186 2.897 0.353 1.00 0.00 C ATOM 265 O TYR A 66 -3.641 1.979 -0.248 1.00 0.00 O ATOM 266 CB TYR A 66 -6.302 1.775 1.029 1.00 0.00 C ATOM 267 CG TYR A 66 -7.748 1.950 1.424 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.086 2.580 2.613 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.776 1.494 0.607 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.404 2.753 2.979 1.00 0.00 C ATOM 271 CE2 TYR A 66 -10.099 1.661 0.966 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.407 2.293 2.153 1.00 0.00 C ATOM 273 OH TYR A 66 -11.725 2.467 2.516 1.00 0.00 O ATOM 0 H TYR A 66 -5.691 2.556 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.994 3.898 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.220 0.927 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.718 1.530 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.303 2.941 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.536 1.001 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.649 3.246 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.887 1.299 0.322 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.307 2.088 1.825 1.00 0.00 H new ATOM 283 N VAL A 67 -3.500 3.831 0.986 1.00 0.00 N ATOM 284 CA VAL A 67 -2.057 3.738 1.069 1.00 0.00 C ATOM 285 C VAL A 67 -1.634 3.333 2.478 1.00 0.00 C ATOM 286 O VAL A 67 -2.293 3.663 3.466 1.00 0.00 O ATOM 287 CB VAL A 67 -1.333 5.043 0.633 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.076 5.726 -0.510 1.00 0.00 C ATOM 289 CG2 VAL A 67 -1.123 5.996 1.798 1.00 0.00 C ATOM 0 H VAL A 67 -3.910 4.647 1.441 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.751 2.967 0.362 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.345 4.757 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.548 6.636 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.126 5.052 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.086 5.979 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.614 6.894 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.089 6.269 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.515 5.510 2.561 1.00 0.00 H new ATOM 299 N PHE A 68 -0.549 2.591 2.551 1.00 0.00 N ATOM 300 CA PHE A 68 -0.018 2.116 3.814 1.00 0.00 C ATOM 301 C PHE A 68 1.072 3.057 4.296 1.00 0.00 C ATOM 302 O PHE A 68 1.701 3.745 3.497 1.00 0.00 O ATOM 303 CB PHE A 68 0.533 0.694 3.643 1.00 0.00 C ATOM 304 CG PHE A 68 1.195 0.114 4.865 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.581 0.159 6.105 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.442 -0.475 4.765 1.00 0.00 C ATOM 307 CE1 PHE A 68 1.198 -0.374 7.221 1.00 0.00 C ATOM 308 CE2 PHE A 68 3.064 -1.013 5.874 1.00 0.00 C ATOM 309 CZ PHE A 68 2.442 -0.961 7.104 1.00 0.00 C ATOM 0 H PHE A 68 -0.009 2.299 1.736 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.814 2.093 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.285 0.038 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.253 0.696 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.393 0.616 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.937 -0.515 3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.708 -0.331 8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.036 -1.474 5.779 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.927 -1.379 7.974 1.00 0.00 H new ATOM 319 N SER A 69 1.281 3.100 5.592 1.00 0.00 N ATOM 320 CA SER A 69 2.325 3.916 6.158 1.00 0.00 C ATOM 321 C SER A 69 3.505 3.020 6.516 1.00 0.00 C ATOM 322 O SER A 69 3.388 2.114 7.336 1.00 0.00 O ATOM 323 CB SER A 69 1.790 4.653 7.382 1.00 0.00 C ATOM 324 OG SER A 69 2.606 5.758 7.729 1.00 0.00 O ATOM 0 H SER A 69 0.737 2.575 6.276 1.00 0.00 H new ATOM 0 HA SER A 69 2.661 4.664 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.775 4.998 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.733 3.964 8.225 1.00 0.00 H new ATOM 0 HG SER A 69 2.232 6.207 8.516 1.00 0.00 H new ATOM 330 N ILE A 70 4.629 3.286 5.886 1.00 0.00 N ATOM 331 CA ILE A 70 5.790 2.419 5.958 1.00 0.00 C ATOM 332 C ILE A 70 6.934 3.094 6.701 1.00 0.00 C ATOM 333 O ILE A 70 7.438 4.135 6.276 1.00 0.00 O ATOM 334 CB ILE A 70 6.249 2.031 4.534 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.152 1.220 3.839 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.567 1.274 4.566 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.529 0.732 2.460 1.00 0.00 C ATOM 0 H ILE A 70 4.766 4.114 5.306 1.00 0.00 H new ATOM 0 HA ILE A 70 5.508 1.521 6.507 1.00 0.00 H new ATOM 0 HB ILE A 70 6.421 2.942 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.900 0.361 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.254 1.833 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.863 1.015 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.335 1.900 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.449 0.363 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.700 0.166 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.752 1.586 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.408 0.091 2.529 1.00 0.00 H new ATOM 349 N ASP A 71 7.322 2.519 7.829 1.00 0.00 N ATOM 350 CA ASP A 71 8.484 3.004 8.560 1.00 0.00 C ATOM 351 C ASP A 71 9.678 2.106 8.294 1.00 0.00 C ATOM 352 O ASP A 71 9.646 0.914 8.598 1.00 0.00 O ATOM 353 CB ASP A 71 8.223 3.049 10.072 1.00 0.00 C ATOM 354 CG ASP A 71 7.121 4.011 10.462 1.00 0.00 C ATOM 355 OD1 ASP A 71 7.167 5.182 10.038 1.00 0.00 O ATOM 356 OD2 ASP A 71 6.204 3.600 11.201 1.00 0.00 O ATOM 0 H ASP A 71 6.853 1.721 8.257 1.00 0.00 H new ATOM 0 HA ASP A 71 8.689 4.016 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.962 2.049 10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.142 3.334 10.584 1.00 0.00 H new ATOM 361 N VAL A 72 10.728 2.675 7.723 1.00 0.00 N ATOM 362 CA VAL A 72 11.990 1.963 7.578 1.00 0.00 C ATOM 363 C VAL A 72 12.859 2.281 8.784 1.00 0.00 C ATOM 364 O VAL A 72 13.525 1.415 9.346 1.00 0.00 O ATOM 365 CB VAL A 72 12.724 2.350 6.275 1.00 0.00 C ATOM 366 CG1 VAL A 72 14.022 1.572 6.128 1.00 0.00 C ATOM 367 CG2 VAL A 72 11.829 2.112 5.069 1.00 0.00 C ATOM 0 H VAL A 72 10.733 3.625 7.353 1.00 0.00 H new ATOM 0 HA VAL A 72 11.787 0.894 7.522 1.00 0.00 H new ATOM 0 HB VAL A 72 12.967 3.411 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.518 1.864 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.674 1.790 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.805 0.504 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.362 2.390 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.555 1.058 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.927 2.717 5.160 1.00 0.00 H new ATOM 377 N ASN A 73 12.814 3.541 9.179 1.00 0.00 N ATOM 378 CA ASN A 73 13.404 3.985 10.427 1.00 0.00 C ATOM 379 C ASN A 73 12.352 4.783 11.180 1.00 0.00 C ATOM 380 O ASN A 73 11.893 5.822 10.698 1.00 0.00 O ATOM 381 CB ASN A 73 14.651 4.839 10.179 1.00 0.00 C ATOM 382 CG ASN A 73 15.384 5.181 11.465 1.00 0.00 C ATOM 383 OD1 ASN A 73 15.078 6.170 12.129 1.00 0.00 O ATOM 384 ND2 ASN A 73 16.367 4.369 11.822 1.00 0.00 N ATOM 0 H ASN A 73 12.367 4.285 8.643 1.00 0.00 H new ATOM 0 HA ASN A 73 13.721 3.122 11.013 1.00 0.00 H new ATOM 0 HB2 ASN A 73 15.326 4.305 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.362 5.760 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.898 4.555 12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.593 3.558 11.246 1.00 0.00 H new ATOM 391 N GLU A 74 11.932 4.275 12.330 1.00 0.00 N ATOM 392 CA GLU A 74 10.848 4.896 13.079 1.00 0.00 C ATOM 393 C GLU A 74 11.255 6.289 13.545 1.00 0.00 C ATOM 394 O GLU A 74 12.276 6.463 14.210 1.00 0.00 O ATOM 395 CB GLU A 74 10.442 4.013 14.257 1.00 0.00 C ATOM 396 CG GLU A 74 10.084 2.596 13.834 1.00 0.00 C ATOM 397 CD GLU A 74 9.383 1.814 14.922 1.00 0.00 C ATOM 398 OE1 GLU A 74 10.063 1.338 15.856 1.00 0.00 O ATOM 399 OE2 GLU A 74 8.145 1.667 14.841 1.00 0.00 O ATOM 0 H GLU A 74 12.323 3.438 12.763 1.00 0.00 H new ATOM 0 HA GLU A 74 9.982 5.001 12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.259 3.977 14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.589 4.462 14.765 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.443 2.637 12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.993 2.069 13.543 1.00 0.00 H new ATOM 406 N GLY A 75 10.446 7.275 13.177 1.00 0.00 N ATOM 407 CA GLY A 75 10.786 8.660 13.426 1.00 0.00 C ATOM 408 C GLY A 75 11.053 9.397 12.131 1.00 0.00 C ATOM 409 O GLY A 75 10.560 10.506 11.917 1.00 0.00 O ATOM 0 H GLY A 75 9.552 7.136 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.972 9.146 13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.667 8.712 14.066 1.00 0.00 H new ATOM 413 N GLY A 76 11.816 8.759 11.254 1.00 0.00 N ATOM 414 CA GLY A 76 12.152 9.352 9.975 1.00 0.00 C ATOM 415 C GLY A 76 13.133 8.494 9.203 1.00 0.00 C ATOM 416 O GLY A 76 14.078 7.968 9.786 1.00 0.00 O ATOM 0 H GLY A 76 12.212 7.832 11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.245 9.487 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.580 10.342 10.133 1.00 0.00 H new ATOM 420 N PRO A 77 12.936 8.324 7.886 1.00 0.00 N ATOM 421 CA PRO A 77 11.828 8.929 7.155 1.00 0.00 C ATOM 422 C PRO A 77 10.576 8.055 7.144 1.00 0.00 C ATOM 423 O PRO A 77 10.627 6.860 7.455 1.00 0.00 O ATOM 424 CB PRO A 77 12.401 9.043 5.749 1.00 0.00 C ATOM 425 CG PRO A 77 13.277 7.845 5.611 1.00 0.00 C ATOM 426 CD PRO A 77 13.799 7.529 6.995 1.00 0.00 C ATOM 0 HA PRO A 77 11.502 9.870 7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.612 9.048 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.967 9.966 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.718 7.001 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.099 8.043 4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.729 6.464 7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.847 7.808 7.100 1.00 0.00 H new ATOM 434 N SER A 78 9.459 8.657 6.776 1.00 0.00 N ATOM 435 CA SER A 78 8.199 7.944 6.691 1.00 0.00 C ATOM 436 C SER A 78 7.805 7.754 5.228 1.00 0.00 C ATOM 437 O SER A 78 7.718 8.714 4.468 1.00 0.00 O ATOM 438 CB SER A 78 7.116 8.716 7.448 1.00 0.00 C ATOM 439 OG SER A 78 7.548 9.023 8.768 1.00 0.00 O ATOM 0 H SER A 78 9.400 9.645 6.530 1.00 0.00 H new ATOM 0 HA SER A 78 8.308 6.960 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.878 9.636 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.201 8.125 7.488 1.00 0.00 H new ATOM 0 HG SER A 78 6.843 9.518 9.236 1.00 0.00 H new ATOM 445 N TYR A 79 7.595 6.509 4.834 1.00 0.00 N ATOM 446 CA TYR A 79 7.240 6.183 3.463 1.00 0.00 C ATOM 447 C TYR A 79 5.778 5.773 3.396 1.00 0.00 C ATOM 448 O TYR A 79 5.183 5.475 4.422 1.00 0.00 O ATOM 449 CB TYR A 79 8.146 5.062 2.951 1.00 0.00 C ATOM 450 CG TYR A 79 9.578 5.514 2.763 1.00 0.00 C ATOM 451 CD1 TYR A 79 9.911 6.431 1.773 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.590 5.045 3.590 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.214 6.861 1.607 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.896 5.475 3.433 1.00 0.00 C ATOM 455 CZ TYR A 79 12.202 6.383 2.441 1.00 0.00 C ATOM 456 OH TYR A 79 13.500 6.822 2.289 1.00 0.00 O ATOM 0 H TYR A 79 7.665 5.700 5.451 1.00 0.00 H new ATOM 0 HA TYR A 79 7.381 7.058 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.121 4.229 3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.758 4.691 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.139 6.814 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.354 4.334 4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.457 7.568 0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.672 5.101 4.084 1.00 0.00 H new ATOM 0 HH TYR A 79 14.072 6.389 2.957 1.00 0.00 H new ATOM 466 N LYS A 80 5.191 5.773 2.205 1.00 0.00 N ATOM 467 CA LYS A 80 3.781 5.405 2.056 1.00 0.00 C ATOM 468 C LYS A 80 3.612 4.470 0.858 1.00 0.00 C ATOM 469 O LYS A 80 4.304 4.622 -0.146 1.00 0.00 O ATOM 470 CB LYS A 80 2.896 6.648 1.880 1.00 0.00 C ATOM 471 CG LYS A 80 3.107 7.709 2.952 1.00 0.00 C ATOM 472 CD LYS A 80 2.746 7.198 4.338 1.00 0.00 C ATOM 473 CE LYS A 80 1.250 7.227 4.589 1.00 0.00 C ATOM 474 NZ LYS A 80 0.934 7.478 6.025 1.00 0.00 N ATOM 0 H LYS A 80 5.661 6.020 1.334 1.00 0.00 H new ATOM 0 HA LYS A 80 3.466 4.893 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.094 7.088 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.850 6.342 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.149 8.030 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.501 8.585 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.112 6.178 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.250 7.805 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.793 8.004 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.811 6.278 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.004 7.072 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.660 7.035 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.917 8.503 6.203 1.00 0.00 H new ATOM 488 N LEU A 81 2.687 3.524 0.961 1.00 0.00 N ATOM 489 CA LEU A 81 2.486 2.517 -0.084 1.00 0.00 C ATOM 490 C LEU A 81 1.076 2.637 -0.662 1.00 0.00 C ATOM 491 O LEU A 81 0.125 2.110 -0.092 1.00 0.00 O ATOM 492 CB LEU A 81 2.669 1.111 0.495 1.00 0.00 C ATOM 493 CG LEU A 81 3.141 0.022 -0.474 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.516 -1.302 -0.101 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.819 0.360 -1.917 1.00 0.00 C ATOM 0 H LEU A 81 2.060 3.429 1.760 1.00 0.00 H new ATOM 0 HA LEU A 81 3.221 2.685 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.386 1.171 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.719 0.794 0.926 1.00 0.00 H new ATOM 0 HG LEU A 81 4.226 -0.045 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.855 -2.072 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.811 -1.571 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.430 -1.220 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.173 -0.441 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.741 0.472 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.312 1.293 -2.191 1.00 0.00 H new ATOM 507 N PRO A 82 0.926 3.328 -1.794 1.00 0.00 N ATOM 508 CA PRO A 82 -0.376 3.526 -2.445 1.00 0.00 C ATOM 509 C PRO A 82 -0.923 2.250 -3.074 1.00 0.00 C ATOM 510 O PRO A 82 -0.237 1.599 -3.857 1.00 0.00 O ATOM 511 CB PRO A 82 -0.074 4.553 -3.537 1.00 0.00 C ATOM 512 CG PRO A 82 1.261 5.107 -3.197 1.00 0.00 C ATOM 513 CD PRO A 82 1.999 3.988 -2.540 1.00 0.00 C ATOM 0 HA PRO A 82 -1.135 3.841 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.067 4.088 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.831 5.337 -3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.783 5.451 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.172 5.964 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.464 3.321 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.792 4.349 -1.885 1.00 0.00 H new ATOM 521 N TYR A 83 -2.168 1.919 -2.749 1.00 0.00 N ATOM 522 CA TYR A 83 -2.803 0.712 -3.247 1.00 0.00 C ATOM 523 C TYR A 83 -4.198 1.019 -3.773 1.00 0.00 C ATOM 524 O TYR A 83 -4.975 1.712 -3.118 1.00 0.00 O ATOM 525 CB TYR A 83 -2.893 -0.331 -2.125 1.00 0.00 C ATOM 526 CG TYR A 83 -3.742 -1.537 -2.471 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.473 -2.298 -3.599 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.813 -1.908 -1.669 1.00 0.00 C ATOM 529 CE1 TYR A 83 -4.244 -3.397 -3.922 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.590 -3.008 -1.982 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.303 -3.748 -3.110 1.00 0.00 C ATOM 532 OH TYR A 83 -6.079 -4.840 -3.428 1.00 0.00 O ATOM 0 H TYR A 83 -2.760 2.479 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.200 0.316 -4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.887 -0.668 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.302 0.144 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.645 -2.026 -4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.043 -1.328 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.020 -3.978 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.418 -3.286 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.781 -4.950 -2.753 1.00 0.00 H new ATOM 542 N ASN A 84 -4.499 0.529 -4.968 1.00 0.00 N ATOM 543 CA ASN A 84 -5.855 0.561 -5.493 1.00 0.00 C ATOM 544 C ASN A 84 -6.421 -0.852 -5.454 1.00 0.00 C ATOM 545 O ASN A 84 -5.780 -1.793 -5.915 1.00 0.00 O ATOM 546 CB ASN A 84 -5.878 1.145 -6.914 1.00 0.00 C ATOM 547 CG ASN A 84 -5.071 0.337 -7.915 1.00 0.00 C ATOM 548 OD1 ASN A 84 -3.851 0.475 -8.002 1.00 0.00 O ATOM 549 ND2 ASN A 84 -5.748 -0.477 -8.709 1.00 0.00 N ATOM 0 H ASN A 84 -3.817 0.102 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.478 1.211 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.911 1.205 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.491 2.164 -6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.259 -1.016 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.759 -0.565 -8.607 1.00 0.00 H new ATOM 556 N THR A 85 -7.618 -0.996 -4.907 1.00 0.00 N ATOM 557 CA THR A 85 -8.138 -2.310 -4.516 1.00 0.00 C ATOM 558 C THR A 85 -8.363 -3.253 -5.697 1.00 0.00 C ATOM 559 O THR A 85 -8.569 -4.452 -5.518 1.00 0.00 O ATOM 560 CB THR A 85 -9.448 -2.159 -3.728 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.421 -1.453 -4.521 1.00 0.00 O ATOM 562 CG2 THR A 85 -9.187 -1.399 -2.443 1.00 0.00 C ATOM 0 H THR A 85 -8.254 -0.221 -4.721 1.00 0.00 H new ATOM 0 HA THR A 85 -7.369 -2.760 -3.888 1.00 0.00 H new ATOM 0 HB THR A 85 -9.835 -3.149 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.204 -0.497 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.119 -1.294 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.463 -1.945 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.792 -0.411 -2.679 1.00 0.00 H new ATOM 570 N SER A 86 -8.321 -2.708 -6.898 1.00 0.00 N ATOM 571 CA SER A 86 -8.507 -3.501 -8.105 1.00 0.00 C ATOM 572 C SER A 86 -7.191 -4.144 -8.562 1.00 0.00 C ATOM 573 O SER A 86 -7.168 -4.906 -9.528 1.00 0.00 O ATOM 574 CB SER A 86 -9.086 -2.627 -9.218 1.00 0.00 C ATOM 575 OG SER A 86 -10.290 -1.998 -8.803 1.00 0.00 O ATOM 0 H SER A 86 -8.159 -1.715 -7.067 1.00 0.00 H new ATOM 0 HA SER A 86 -9.207 -4.305 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.357 -1.869 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.277 -3.237 -10.101 1.00 0.00 H new ATOM 0 HG SER A 86 -10.638 -1.444 -9.533 1.00 0.00 H new ATOM 581 N ASP A 87 -6.097 -3.841 -7.867 1.00 0.00 N ATOM 582 CA ASP A 87 -4.777 -4.326 -8.266 1.00 0.00 C ATOM 583 C ASP A 87 -4.338 -5.529 -7.444 1.00 0.00 C ATOM 584 O ASP A 87 -5.096 -6.052 -6.623 1.00 0.00 O ATOM 585 CB ASP A 87 -3.745 -3.210 -8.137 1.00 0.00 C ATOM 586 CG ASP A 87 -3.325 -2.664 -9.485 1.00 0.00 C ATOM 587 OD1 ASP A 87 -4.181 -2.088 -10.190 1.00 0.00 O ATOM 588 OD2 ASP A 87 -2.135 -2.797 -9.839 1.00 0.00 O ATOM 0 H ASP A 87 -6.098 -3.263 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.849 -4.642 -9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.158 -2.403 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.868 -3.587 -7.610 1.00 0.00 H new ATOM 593 N ASP A 88 -3.103 -5.961 -7.681 1.00 0.00 N ATOM 594 CA ASP A 88 -2.545 -7.141 -7.031 1.00 0.00 C ATOM 595 C ASP A 88 -1.453 -6.749 -6.050 1.00 0.00 C ATOM 596 O ASP A 88 -0.690 -5.822 -6.321 1.00 0.00 O ATOM 597 CB ASP A 88 -1.946 -8.101 -8.061 1.00 0.00 C ATOM 598 CG ASP A 88 -2.948 -8.562 -9.099 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.673 -9.543 -8.832 1.00 0.00 O ATOM 600 OD2 ASP A 88 -3.002 -7.958 -10.189 1.00 0.00 O ATOM 0 H ASP A 88 -2.462 -5.503 -8.329 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.360 -7.634 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.112 -7.611 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.541 -8.971 -7.545 1.00 0.00 H new ATOM 605 N PRO A 89 -1.338 -7.456 -4.917 1.00 0.00 N ATOM 606 CA PRO A 89 -0.367 -7.131 -3.868 1.00 0.00 C ATOM 607 C PRO A 89 1.042 -6.968 -4.406 1.00 0.00 C ATOM 608 O PRO A 89 1.632 -5.892 -4.307 1.00 0.00 O ATOM 609 CB PRO A 89 -0.423 -8.338 -2.920 1.00 0.00 C ATOM 610 CG PRO A 89 -1.211 -9.378 -3.648 1.00 0.00 C ATOM 611 CD PRO A 89 -2.136 -8.633 -4.561 1.00 0.00 C ATOM 0 HA PRO A 89 -0.609 -6.182 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.578 -8.698 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.899 -8.074 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.555 -10.040 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.770 -10.002 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.405 -9.223 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.066 -8.359 -4.063 1.00 0.00 H new ATOM 619 N TRP A 90 1.561 -8.036 -4.997 1.00 0.00 N ATOM 620 CA TRP A 90 2.934 -8.061 -5.467 1.00 0.00 C ATOM 621 C TRP A 90 3.179 -6.992 -6.526 1.00 0.00 C ATOM 622 O TRP A 90 4.265 -6.439 -6.598 1.00 0.00 O ATOM 623 CB TRP A 90 3.305 -9.459 -5.989 1.00 0.00 C ATOM 624 CG TRP A 90 2.417 -9.976 -7.084 1.00 0.00 C ATOM 625 CD1 TRP A 90 1.100 -10.324 -6.982 1.00 0.00 C ATOM 626 CD2 TRP A 90 2.793 -10.235 -8.441 1.00 0.00 C ATOM 627 NE1 TRP A 90 0.633 -10.766 -8.194 1.00 0.00 N ATOM 628 CE2 TRP A 90 1.654 -10.723 -9.105 1.00 0.00 C ATOM 629 CE3 TRP A 90 3.983 -10.099 -9.157 1.00 0.00 C ATOM 630 CZ2 TRP A 90 1.668 -11.072 -10.452 1.00 0.00 C ATOM 631 CZ3 TRP A 90 3.998 -10.446 -10.495 1.00 0.00 C ATOM 632 CH2 TRP A 90 2.847 -10.927 -11.130 1.00 0.00 C ATOM 0 H TRP A 90 1.045 -8.900 -5.162 1.00 0.00 H new ATOM 0 HA TRP A 90 3.582 -7.834 -4.621 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.332 -9.435 -6.353 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.279 -10.162 -5.156 1.00 0.00 H new ATOM 0 HD1 TRP A 90 0.512 -10.260 -6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.320 -11.076 -8.385 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.876 -9.729 -8.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 0.781 -11.443 -10.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.913 -10.344 -11.060 1.00 0.00 H new ATOM 0 HH2 TRP A 90 2.891 -11.189 -12.177 1.00 0.00 H new ATOM 643 N LEU A 91 2.168 -6.682 -7.330 1.00 0.00 N ATOM 644 CA LEU A 91 2.315 -5.651 -8.354 1.00 0.00 C ATOM 645 C LEU A 91 2.356 -4.258 -7.735 1.00 0.00 C ATOM 646 O LEU A 91 3.219 -3.449 -8.068 1.00 0.00 O ATOM 647 CB LEU A 91 1.164 -5.724 -9.355 1.00 0.00 C ATOM 648 CG LEU A 91 1.086 -7.014 -10.167 1.00 0.00 C ATOM 649 CD1 LEU A 91 -0.050 -6.944 -11.173 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.405 -7.256 -10.870 1.00 0.00 C ATOM 0 H LEU A 91 1.249 -7.122 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 91 3.258 -5.833 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.226 -5.597 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.251 -4.885 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 91 0.888 -7.846 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.090 -7.873 -11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.994 -6.800 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.117 -6.109 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.345 -8.178 -11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.620 -6.422 -11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.201 -7.343 -10.130 1.00 0.00 H new ATOM 662 N THR A 92 1.430 -3.992 -6.823 1.00 0.00 N ATOM 663 CA THR A 92 1.373 -2.706 -6.141 1.00 0.00 C ATOM 664 C THR A 92 2.635 -2.484 -5.326 1.00 0.00 C ATOM 665 O THR A 92 3.274 -1.432 -5.408 1.00 0.00 O ATOM 666 CB THR A 92 0.145 -2.634 -5.213 1.00 0.00 C ATOM 667 OG1 THR A 92 -1.050 -2.748 -5.993 1.00 0.00 O ATOM 668 CG2 THR A 92 0.129 -1.333 -4.420 1.00 0.00 C ATOM 0 H THR A 92 0.706 -4.652 -6.538 1.00 0.00 H new ATOM 0 HA THR A 92 1.290 -1.927 -6.899 1.00 0.00 H new ATOM 0 HB THR A 92 0.200 -3.459 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.185 -3.684 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.749 -1.311 -3.774 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.030 -1.268 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.095 -0.488 -5.108 1.00 0.00 H new ATOM 676 N ALA A 93 2.996 -3.505 -4.565 1.00 0.00 N ATOM 677 CA ALA A 93 4.176 -3.468 -3.736 1.00 0.00 C ATOM 678 C ALA A 93 5.428 -3.301 -4.582 1.00 0.00 C ATOM 679 O ALA A 93 6.321 -2.530 -4.234 1.00 0.00 O ATOM 680 CB ALA A 93 4.252 -4.739 -2.922 1.00 0.00 C ATOM 0 H ALA A 93 2.475 -4.380 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 93 4.113 -2.611 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.142 -4.716 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.366 -4.822 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.303 -5.597 -3.592 1.00 0.00 H new ATOM 686 N TYR A 94 5.484 -4.011 -5.703 1.00 0.00 N ATOM 687 CA TYR A 94 6.636 -3.944 -6.584 1.00 0.00 C ATOM 688 C TYR A 94 6.745 -2.545 -7.178 1.00 0.00 C ATOM 689 O TYR A 94 7.840 -2.005 -7.315 1.00 0.00 O ATOM 690 CB TYR A 94 6.521 -4.971 -7.711 1.00 0.00 C ATOM 691 CG TYR A 94 7.856 -5.306 -8.339 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.458 -4.423 -9.218 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.520 -6.485 -8.037 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.686 -4.700 -9.785 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.750 -6.777 -8.602 1.00 0.00 C ATOM 696 CZ TYR A 94 10.331 -5.877 -9.473 1.00 0.00 C ATOM 697 OH TYR A 94 11.563 -6.152 -10.028 1.00 0.00 O ATOM 0 H TYR A 94 4.744 -4.638 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 94 7.529 -4.168 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.070 -5.883 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.850 -4.587 -8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.957 -3.499 -9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.071 -7.187 -7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.139 -3.998 -10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.252 -7.703 -8.363 1.00 0.00 H new ATOM 0 HH TYR A 94 11.881 -7.021 -9.704 1.00 0.00 H new ATOM 707 N ASN A 95 5.602 -1.966 -7.534 1.00 0.00 N ATOM 708 CA ASN A 95 5.564 -0.608 -8.082 1.00 0.00 C ATOM 709 C ASN A 95 6.160 0.396 -7.111 1.00 0.00 C ATOM 710 O ASN A 95 6.968 1.224 -7.503 1.00 0.00 O ATOM 711 CB ASN A 95 4.143 -0.178 -8.451 1.00 0.00 C ATOM 712 CG ASN A 95 3.792 -0.495 -9.893 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.047 0.307 -10.795 1.00 0.00 O ATOM 714 ND2 ASN A 95 3.208 -1.660 -10.129 1.00 0.00 N ATOM 0 H ASN A 95 4.689 -2.413 -7.454 1.00 0.00 H new ATOM 0 HA ASN A 95 6.165 -0.626 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.434 -0.677 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.037 0.894 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.954 -1.919 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.013 -2.298 -9.358 1.00 0.00 H new ATOM 721 N PHE A 96 5.775 0.323 -5.848 1.00 0.00 N ATOM 722 CA PHE A 96 6.339 1.219 -4.848 1.00 0.00 C ATOM 723 C PHE A 96 7.802 0.880 -4.592 1.00 0.00 C ATOM 724 O PHE A 96 8.634 1.773 -4.434 1.00 0.00 O ATOM 725 CB PHE A 96 5.535 1.178 -3.549 1.00 0.00 C ATOM 726 CG PHE A 96 6.179 1.950 -2.430 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.359 3.322 -2.538 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.620 1.310 -1.281 1.00 0.00 C ATOM 729 CE1 PHE A 96 6.964 4.040 -1.523 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.227 2.025 -0.265 1.00 0.00 C ATOM 731 CZ PHE A 96 7.397 3.390 -0.386 1.00 0.00 C ATOM 0 H PHE A 96 5.084 -0.337 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 96 6.284 2.235 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.539 1.580 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.408 0.140 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.022 3.835 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.488 0.243 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.097 5.107 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.568 1.515 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.869 3.948 0.409 1.00 0.00 H new ATOM 741 N LEU A 97 8.113 -0.409 -4.569 1.00 0.00 N ATOM 742 CA LEU A 97 9.478 -0.862 -4.336 1.00 0.00 C ATOM 743 C LEU A 97 10.423 -0.323 -5.404 1.00 0.00 C ATOM 744 O LEU A 97 11.488 0.190 -5.093 1.00 0.00 O ATOM 745 CB LEU A 97 9.532 -2.386 -4.309 1.00 0.00 C ATOM 746 CG LEU A 97 10.242 -2.982 -3.101 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.468 -2.660 -1.837 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.396 -4.483 -3.263 1.00 0.00 C ATOM 0 H LEU A 97 7.438 -1.160 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 97 9.801 -0.478 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.513 -2.772 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.032 -2.733 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 97 11.237 -2.544 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.981 -3.089 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.401 -1.579 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.465 -3.080 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.905 -4.893 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.412 -4.942 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.982 -4.694 -4.158 1.00 0.00 H new ATOM 760 N GLN A 98 10.024 -0.432 -6.664 1.00 0.00 N ATOM 761 CA GLN A 98 10.817 0.113 -7.761 1.00 0.00 C ATOM 762 C GLN A 98 10.781 1.642 -7.727 1.00 0.00 C ATOM 763 O GLN A 98 11.775 2.305 -8.024 1.00 0.00 O ATOM 764 CB GLN A 98 10.317 -0.408 -9.114 1.00 0.00 C ATOM 765 CG GLN A 98 8.911 0.044 -9.452 1.00 0.00 C ATOM 766 CD GLN A 98 8.392 -0.527 -10.753 1.00 0.00 C ATOM 767 OE1 GLN A 98 8.581 0.053 -11.822 1.00 0.00 O ATOM 768 NE2 GLN A 98 7.723 -1.663 -10.671 1.00 0.00 N ATOM 0 H GLN A 98 9.160 -0.891 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 98 11.848 -0.218 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.996 -0.072 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.349 -1.498 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.240 -0.246 -8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.891 1.132 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.589 -2.111 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.341 -2.092 -11.514 1.00 0.00 H new ATOM 777 N LYS A 99 9.623 2.180 -7.351 1.00 0.00 N ATOM 778 CA LYS A 99 9.385 3.619 -7.322 1.00 0.00 C ATOM 779 C LYS A 99 10.326 4.311 -6.338 1.00 0.00 C ATOM 780 O LYS A 99 10.890 5.363 -6.639 1.00 0.00 O ATOM 781 CB LYS A 99 7.917 3.869 -6.937 1.00 0.00 C ATOM 782 CG LYS A 99 7.436 5.306 -7.067 1.00 0.00 C ATOM 783 CD LYS A 99 7.744 6.120 -5.821 1.00 0.00 C ATOM 784 CE LYS A 99 6.885 7.374 -5.765 1.00 0.00 C ATOM 785 NZ LYS A 99 7.170 8.203 -4.566 1.00 0.00 N ATOM 0 H LYS A 99 8.819 1.625 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 99 9.583 4.037 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.285 3.236 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.772 3.549 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.910 5.771 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.362 5.314 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.567 5.513 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.798 6.396 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.055 7.968 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.833 7.090 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.560 9.045 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.983 7.647 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.167 8.498 -4.577 1.00 0.00 H new ATOM 799 N ASN A 100 10.500 3.718 -5.165 1.00 0.00 N ATOM 800 CA ASN A 100 11.349 4.314 -4.141 1.00 0.00 C ATOM 801 C ASN A 100 12.740 3.679 -4.158 1.00 0.00 C ATOM 802 O ASN A 100 13.662 4.135 -3.480 1.00 0.00 O ATOM 803 CB ASN A 100 10.721 4.150 -2.755 1.00 0.00 C ATOM 804 CG ASN A 100 11.241 5.170 -1.758 1.00 0.00 C ATOM 805 OD1 ASN A 100 12.196 4.913 -1.029 1.00 0.00 O ATOM 806 ND2 ASN A 100 10.619 6.339 -1.724 1.00 0.00 N ATOM 0 H ASN A 100 10.069 2.832 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 100 11.444 5.377 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.638 4.245 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.926 3.146 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.930 7.063 -1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.829 6.515 -2.345 1.00 0.00 H new ATOM 813 N ASP A 101 12.866 2.625 -4.961 1.00 0.00 N ATOM 814 CA ASP A 101 14.091 1.828 -5.066 1.00 0.00 C ATOM 815 C ASP A 101 14.389 1.112 -3.749 1.00 0.00 C ATOM 816 O ASP A 101 15.489 1.199 -3.202 1.00 0.00 O ATOM 817 CB ASP A 101 15.286 2.681 -5.507 1.00 0.00 C ATOM 818 CG ASP A 101 16.515 1.841 -5.809 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.414 0.897 -6.622 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.586 2.109 -5.223 1.00 0.00 O ATOM 0 H ASP A 101 12.113 2.295 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 101 13.926 1.074 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.013 3.253 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.524 3.401 -4.724 1.00 0.00 H new ATOM 825 N LEU A 102 13.388 0.407 -3.238 1.00 0.00 N ATOM 826 CA LEU A 102 13.549 -0.396 -2.038 1.00 0.00 C ATOM 827 C LEU A 102 14.141 -1.752 -2.391 1.00 0.00 C ATOM 828 O LEU A 102 14.303 -2.086 -3.567 1.00 0.00 O ATOM 829 CB LEU A 102 12.209 -0.605 -1.321 1.00 0.00 C ATOM 830 CG LEU A 102 11.525 0.643 -0.767 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.502 1.792 -0.608 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.350 1.030 -1.641 1.00 0.00 C ATOM 0 H LEU A 102 12.451 0.377 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 102 14.222 0.141 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.523 -1.089 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.369 -1.300 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 102 11.148 0.409 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.979 2.662 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.296 1.502 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.934 2.039 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.872 1.921 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.701 1.236 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.630 0.212 -1.666 1.00 0.00 H new ATOM 844 N ASN A 103 14.463 -2.525 -1.371 1.00 0.00 N ATOM 845 CA ASN A 103 14.990 -3.867 -1.557 1.00 0.00 C ATOM 846 C ASN A 103 13.847 -4.831 -1.855 1.00 0.00 C ATOM 847 O ASN A 103 12.791 -4.760 -1.225 1.00 0.00 O ATOM 848 CB ASN A 103 15.728 -4.313 -0.297 1.00 0.00 C ATOM 849 CG ASN A 103 16.580 -5.552 -0.515 1.00 0.00 C ATOM 850 OD1 ASN A 103 16.118 -6.677 -0.338 1.00 0.00 O ATOM 851 ND2 ASN A 103 17.827 -5.354 -0.907 1.00 0.00 N ATOM 0 H ASN A 103 14.368 -2.244 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 103 15.686 -3.866 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.363 -3.499 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.002 -4.512 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.442 -6.151 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.174 -4.405 -1.043 1.00 0.00 H new ATOM 858 N PRO A 104 14.049 -5.744 -2.822 1.00 0.00 N ATOM 859 CA PRO A 104 13.023 -6.705 -3.265 1.00 0.00 C ATOM 860 C PRO A 104 12.531 -7.613 -2.138 1.00 0.00 C ATOM 861 O PRO A 104 11.519 -8.300 -2.282 1.00 0.00 O ATOM 862 CB PRO A 104 13.742 -7.526 -4.344 1.00 0.00 C ATOM 863 CG PRO A 104 14.876 -6.670 -4.788 1.00 0.00 C ATOM 864 CD PRO A 104 15.305 -5.912 -3.567 1.00 0.00 C ATOM 0 HA PRO A 104 12.126 -6.198 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.097 -8.476 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.074 -7.758 -5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.693 -7.274 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.568 -5.992 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.046 -6.464 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.753 -4.952 -3.825 1.00 0.00 H new ATOM 872 N MET A 105 13.240 -7.605 -1.013 1.00 0.00 N ATOM 873 CA MET A 105 12.841 -8.386 0.150 1.00 0.00 C ATOM 874 C MET A 105 11.639 -7.741 0.838 1.00 0.00 C ATOM 875 O MET A 105 10.893 -8.397 1.563 1.00 0.00 O ATOM 876 CB MET A 105 14.008 -8.516 1.134 1.00 0.00 C ATOM 877 CG MET A 105 13.693 -9.346 2.372 1.00 0.00 C ATOM 878 SD MET A 105 13.247 -11.052 1.979 1.00 0.00 S ATOM 879 CE MET A 105 14.766 -11.630 1.223 1.00 0.00 C ATOM 0 H MET A 105 14.095 -7.065 -0.884 1.00 0.00 H new ATOM 0 HA MET A 105 12.557 -9.383 -0.186 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.856 -8.964 0.617 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.316 -7.519 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 105 14.559 -9.345 3.034 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.874 -8.878 2.918 1.00 0.00 H new ATOM 0 HE1 MET A 105 14.769 -12.720 1.200 1.00 0.00 H new ATOM 0 HE2 MET A 105 14.835 -11.245 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 105 15.618 -11.277 1.803 1.00 0.00 H new ATOM 889 N PHE A 106 11.426 -6.455 0.576 1.00 0.00 N ATOM 890 CA PHE A 106 10.344 -5.728 1.221 1.00 0.00 C ATOM 891 C PHE A 106 9.034 -6.019 0.513 1.00 0.00 C ATOM 892 O PHE A 106 7.961 -5.833 1.078 1.00 0.00 O ATOM 893 CB PHE A 106 10.612 -4.223 1.211 1.00 0.00 C ATOM 894 CG PHE A 106 11.778 -3.787 2.061 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.763 -3.983 3.435 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.885 -3.172 1.492 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.825 -3.578 4.221 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.948 -2.764 2.278 1.00 0.00 C ATOM 899 CZ PHE A 106 13.918 -2.967 3.642 1.00 0.00 C ATOM 0 H PHE A 106 11.984 -5.901 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 106 10.281 -6.059 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.790 -3.906 0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.716 -3.706 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.910 -4.458 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.917 -3.010 0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.799 -3.740 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.803 -2.286 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.748 -2.648 4.255 1.00 0.00 H new ATOM 909 N LEU A 107 9.150 -6.508 -0.716 1.00 0.00 N ATOM 910 CA LEU A 107 8.008 -6.760 -1.588 1.00 0.00 C ATOM 911 C LEU A 107 6.961 -7.649 -0.922 1.00 0.00 C ATOM 912 O LEU A 107 5.766 -7.384 -1.026 1.00 0.00 O ATOM 913 CB LEU A 107 8.512 -7.381 -2.898 1.00 0.00 C ATOM 914 CG LEU A 107 7.456 -7.886 -3.879 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.482 -6.784 -4.225 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.125 -8.389 -5.143 1.00 0.00 C ATOM 0 H LEU A 107 10.048 -6.743 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 107 7.513 -5.812 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.123 -6.639 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.167 -8.215 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 107 6.909 -8.702 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.737 -7.163 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.985 -6.439 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.020 -5.953 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.366 -8.748 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.686 -7.577 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.805 -9.204 -4.895 1.00 0.00 H new ATOM 928 N ASP A 108 7.405 -8.682 -0.227 1.00 0.00 N ATOM 929 CA ASP A 108 6.473 -9.582 0.438 1.00 0.00 C ATOM 930 C ASP A 108 5.724 -8.868 1.556 1.00 0.00 C ATOM 931 O ASP A 108 4.504 -8.970 1.650 1.00 0.00 O ATOM 932 CB ASP A 108 7.201 -10.803 1.002 1.00 0.00 C ATOM 933 CG ASP A 108 6.249 -11.773 1.684 1.00 0.00 C ATOM 934 OD1 ASP A 108 5.605 -12.580 0.980 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.153 -11.746 2.927 1.00 0.00 O ATOM 0 H ASP A 108 8.390 -8.918 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 108 5.752 -9.915 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.725 -11.317 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.957 -10.476 1.716 1.00 0.00 H new ATOM 940 N GLN A 109 6.448 -8.103 2.371 1.00 0.00 N ATOM 941 CA GLN A 109 5.856 -7.488 3.554 1.00 0.00 C ATOM 942 C GLN A 109 4.792 -6.459 3.162 1.00 0.00 C ATOM 943 O GLN A 109 3.713 -6.413 3.755 1.00 0.00 O ATOM 944 CB GLN A 109 6.936 -6.848 4.448 1.00 0.00 C ATOM 945 CG GLN A 109 7.297 -5.419 4.081 1.00 0.00 C ATOM 946 CD GLN A 109 8.130 -4.728 5.140 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.032 -5.038 6.326 1.00 0.00 O ATOM 948 NE2 GLN A 109 8.941 -3.773 4.722 1.00 0.00 N ATOM 0 H GLN A 109 7.437 -7.896 2.234 1.00 0.00 H new ATOM 0 HA GLN A 109 5.369 -8.275 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.591 -6.867 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.837 -7.460 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 109 7.845 -5.419 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.382 -4.850 3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.993 -3.546 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.516 -3.262 5.392 1.00 0.00 H new ATOM 957 N VAL A 110 5.092 -5.651 2.149 1.00 0.00 N ATOM 958 CA VAL A 110 4.158 -4.641 1.684 1.00 0.00 C ATOM 959 C VAL A 110 2.959 -5.282 1.001 1.00 0.00 C ATOM 960 O VAL A 110 1.818 -4.895 1.247 1.00 0.00 O ATOM 961 CB VAL A 110 4.824 -3.628 0.730 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.534 -2.555 1.517 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.822 -4.302 -0.180 1.00 0.00 C ATOM 0 H VAL A 110 5.974 -5.679 1.638 1.00 0.00 H new ATOM 0 HA VAL A 110 3.819 -4.098 2.566 1.00 0.00 H new ATOM 0 HB VAL A 110 4.034 -3.186 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.999 -1.848 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.816 -2.030 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.301 -3.010 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.273 -3.560 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.600 -4.775 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.315 -5.059 -0.779 1.00 0.00 H new ATOM 973 N ALA A 111 3.221 -6.283 0.166 1.00 0.00 N ATOM 974 CA ALA A 111 2.159 -6.979 -0.552 1.00 0.00 C ATOM 975 C ALA A 111 1.217 -7.691 0.410 1.00 0.00 C ATOM 976 O ALA A 111 0.009 -7.721 0.192 1.00 0.00 O ATOM 977 CB ALA A 111 2.744 -7.965 -1.543 1.00 0.00 C ATOM 0 H ALA A 111 4.160 -6.630 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 111 1.582 -6.233 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.937 -8.475 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.366 -7.432 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.351 -8.698 -1.012 1.00 0.00 H new ATOM 983 N LYS A 112 1.771 -8.253 1.475 1.00 0.00 N ATOM 984 CA LYS A 112 0.971 -8.954 2.467 1.00 0.00 C ATOM 985 C LYS A 112 0.036 -7.998 3.193 1.00 0.00 C ATOM 986 O LYS A 112 -1.104 -8.348 3.492 1.00 0.00 O ATOM 987 CB LYS A 112 1.869 -9.690 3.458 1.00 0.00 C ATOM 988 CG LYS A 112 2.553 -10.896 2.844 1.00 0.00 C ATOM 989 CD LYS A 112 1.539 -11.954 2.449 1.00 0.00 C ATOM 990 CE LYS A 112 2.162 -13.056 1.609 1.00 0.00 C ATOM 991 NZ LYS A 112 3.383 -13.625 2.244 1.00 0.00 N ATOM 0 H LYS A 112 2.771 -8.237 1.674 1.00 0.00 H new ATOM 0 HA LYS A 112 0.358 -9.690 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.625 -9.002 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.273 -10.011 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.123 -10.588 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.264 -11.316 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.099 -12.388 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.728 -11.487 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.431 -13.850 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.416 -12.661 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.403 -14.654 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.229 -13.197 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.371 -13.422 3.264 1.00 0.00 H new ATOM 1005 N PHE A 113 0.506 -6.784 3.455 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.346 -5.776 4.071 1.00 0.00 C ATOM 1007 C PHE A 113 -1.432 -5.351 3.088 1.00 0.00 C ATOM 1008 O PHE A 113 -2.584 -5.142 3.468 1.00 0.00 O ATOM 1009 CB PHE A 113 0.463 -4.565 4.530 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.274 -3.745 5.550 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.262 -2.856 5.162 1.00 0.00 C ATOM 1012 CD2 PHE A 113 0.007 -3.881 6.899 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -1.956 -2.116 6.098 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -0.681 -3.142 7.842 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.665 -2.258 7.441 1.00 0.00 C ATOM 0 H PHE A 113 1.458 -6.477 3.254 1.00 0.00 H new ATOM 0 HA PHE A 113 -0.810 -6.214 4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.410 -4.901 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.702 -3.942 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.493 -2.740 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.773 -4.573 7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.725 -1.427 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.450 -3.255 8.891 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.205 -1.680 8.176 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.054 -5.244 1.820 1.00 0.00 N ATOM 1026 CA ILE A 114 -2.004 -4.976 0.754 1.00 0.00 C ATOM 1027 C ILE A 114 -3.096 -6.039 0.736 1.00 0.00 C ATOM 1028 O ILE A 114 -4.287 -5.731 0.677 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.291 -4.977 -0.603 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.364 -3.771 -0.717 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.303 -4.985 -1.734 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.734 -3.962 -1.737 1.00 0.00 C ATOM 0 H ILE A 114 -0.088 -5.340 1.506 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.450 -3.998 0.935 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.688 -5.882 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.951 -2.893 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.083 -3.571 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.780 -4.986 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.925 -5.877 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.932 -4.098 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.359 -3.070 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.344 -4.822 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.293 -4.133 -2.719 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.666 -7.291 0.805 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.572 -8.422 0.821 1.00 0.00 C ATOM 1046 C ILE A 115 -4.487 -8.357 2.029 1.00 0.00 C ATOM 1047 O ILE A 115 -5.702 -8.457 1.891 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.796 -9.752 0.831 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.197 -10.018 -0.548 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.695 -10.901 1.259 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.069 -11.020 -0.538 1.00 0.00 C ATOM 0 H ILE A 115 -1.680 -7.547 0.851 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.174 -8.376 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 115 -1.985 -9.676 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.983 -10.376 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.832 -9.078 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.124 -11.829 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.076 -10.710 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.530 -10.988 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.695 -11.157 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.264 -10.655 0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.432 -11.973 -0.154 1.00 0.00 H new ATOM 1063 N ASP A 116 -3.892 -8.157 3.199 1.00 0.00 N ATOM 1064 CA ASP A 116 -4.628 -8.152 4.461 1.00 0.00 C ATOM 1065 C ASP A 116 -5.776 -7.145 4.451 1.00 0.00 C ATOM 1066 O ASP A 116 -6.843 -7.408 5.008 1.00 0.00 O ATOM 1067 CB ASP A 116 -3.685 -7.859 5.627 1.00 0.00 C ATOM 1068 CG ASP A 116 -4.406 -7.829 6.959 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -4.926 -8.883 7.380 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -4.445 -6.757 7.597 1.00 0.00 O ATOM 0 H ASP A 116 -2.890 -7.994 3.301 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.060 -9.145 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.903 -8.617 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -3.193 -6.900 5.461 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.555 -6.005 3.802 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.576 -4.961 3.689 1.00 0.00 C ATOM 1077 C ASN A 117 -7.846 -5.507 3.033 1.00 0.00 C ATOM 1078 O ASN A 117 -8.961 -5.130 3.399 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.029 -3.778 2.879 1.00 0.00 C ATOM 1080 CG ASN A 117 -7.053 -2.677 2.664 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.208 -1.784 3.496 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.737 -2.716 1.528 1.00 0.00 N ATOM 0 H ASN A 117 -4.673 -5.778 3.343 1.00 0.00 H new ATOM 0 HA ASN A 117 -6.831 -4.620 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.162 -3.364 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.683 -4.138 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.420 -1.988 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.579 -3.474 0.864 1.00 0.00 H new ATOM 1089 N THR A 118 -7.668 -6.403 2.071 1.00 0.00 N ATOM 1090 CA THR A 118 -8.790 -7.002 1.356 1.00 0.00 C ATOM 1091 C THR A 118 -9.062 -8.433 1.835 1.00 0.00 C ATOM 1092 O THR A 118 -10.043 -9.059 1.433 1.00 0.00 O ATOM 1093 CB THR A 118 -8.522 -7.017 -0.162 1.00 0.00 C ATOM 1094 OG1 THR A 118 -7.155 -7.378 -0.406 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.826 -5.661 -0.796 1.00 0.00 C ATOM 0 H THR A 118 -6.752 -6.733 1.766 1.00 0.00 H new ATOM 0 HA THR A 118 -9.668 -6.391 1.565 1.00 0.00 H new ATOM 0 HB THR A 118 -9.183 -7.754 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.987 -7.389 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.626 -5.707 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.874 -5.410 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.195 -4.897 -0.342 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.192 -8.939 2.700 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.288 -10.314 3.177 1.00 0.00 C ATOM 1105 C LYS A 119 -9.179 -10.381 4.418 1.00 0.00 C ATOM 1106 O LYS A 119 -9.344 -9.390 5.126 1.00 0.00 O ATOM 1107 CB LYS A 119 -6.884 -10.868 3.486 1.00 0.00 C ATOM 1108 CG LYS A 119 -6.884 -12.323 3.923 1.00 0.00 C ATOM 1109 CD LYS A 119 -5.480 -12.829 4.230 1.00 0.00 C ATOM 1110 CE LYS A 119 -4.801 -12.013 5.322 1.00 0.00 C ATOM 1111 NZ LYS A 119 -3.517 -12.630 5.751 1.00 0.00 N ATOM 0 H LYS A 119 -7.408 -8.415 3.088 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.737 -10.928 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.259 -10.764 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.429 -10.263 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.511 -12.435 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.327 -12.937 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.531 -13.873 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.876 -12.793 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.616 -11.002 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.468 -11.927 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.538 -12.796 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.384 -13.535 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.730 -11.990 5.520 1.00 0.00 H new ATOM 1125 N GLY A 120 -9.749 -11.550 4.678 1.00 0.00 N ATOM 1126 CA GLY A 120 -10.646 -11.710 5.806 1.00 0.00 C ATOM 1127 C GLY A 120 -9.945 -12.281 7.022 1.00 0.00 C ATOM 1128 O GLY A 120 -10.314 -13.348 7.512 1.00 0.00 O ATOM 0 H GLY A 120 -9.605 -12.395 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.082 -10.744 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.469 -12.366 5.523 1.00 0.00 H new ATOM 1132 N GLN A 121 -8.920 -11.583 7.498 1.00 0.00 N ATOM 1133 CA GLN A 121 -8.188 -12.008 8.678 1.00 0.00 C ATOM 1134 C GLN A 121 -8.560 -11.138 9.873 1.00 0.00 C ATOM 1135 O GLN A 121 -9.064 -11.636 10.880 1.00 0.00 O ATOM 1136 CB GLN A 121 -6.685 -11.948 8.423 1.00 0.00 C ATOM 1137 CG GLN A 121 -5.871 -12.347 9.631 1.00 0.00 C ATOM 1138 CD GLN A 121 -4.379 -12.184 9.412 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -3.697 -13.116 8.987 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -3.863 -10.998 9.683 1.00 0.00 N ATOM 0 H GLN A 121 -8.579 -10.717 7.080 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.459 -13.040 8.902 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.436 -12.605 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.412 -10.936 8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.177 -11.743 10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.086 -13.386 9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.461 -10.250 10.034 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.867 -10.831 9.541 1.00 0.00 H new ATOM 1149 N MET A 122 -8.332 -9.833 9.754 1.00 0.00 N ATOM 1150 CA MET A 122 -8.682 -8.902 10.816 1.00 0.00 C ATOM 1151 C MET A 122 -10.195 -8.719 10.866 1.00 0.00 C ATOM 1152 O MET A 122 -10.767 -8.413 11.915 1.00 0.00 O ATOM 1153 CB MET A 122 -7.991 -7.551 10.599 1.00 0.00 C ATOM 1154 CG MET A 122 -8.480 -6.791 9.376 1.00 0.00 C ATOM 1155 SD MET A 122 -7.729 -5.159 9.225 1.00 0.00 S ATOM 1156 CE MET A 122 -8.332 -4.370 10.713 1.00 0.00 C ATOM 0 H MET A 122 -7.907 -9.400 8.934 1.00 0.00 H new ATOM 0 HA MET A 122 -8.341 -9.312 11.767 1.00 0.00 H new ATOM 0 HB2 MET A 122 -8.143 -6.931 11.483 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.917 -7.715 10.506 1.00 0.00 H new ATOM 0 HG2 MET A 122 -8.260 -7.372 8.480 1.00 0.00 H new ATOM 0 HG3 MET A 122 -9.563 -6.684 9.429 1.00 0.00 H new ATOM 0 HE1 MET A 122 -8.315 -3.288 10.584 1.00 0.00 H new ATOM 0 HE2 MET A 122 -9.353 -4.696 10.909 1.00 0.00 H new ATOM 0 HE3 MET A 122 -7.695 -4.645 11.554 1.00 0.00 H new ATOM 1166 N LEU A 123 -10.831 -8.917 9.715 1.00 0.00 N ATOM 1167 CA LEU A 123 -12.280 -8.840 9.592 1.00 0.00 C ATOM 1168 C LEU A 123 -12.674 -9.319 8.199 1.00 0.00 C ATOM 1169 O LEU A 123 -13.241 -10.399 8.041 1.00 0.00 O ATOM 1170 CB LEU A 123 -12.768 -7.399 9.825 1.00 0.00 C ATOM 1171 CG LEU A 123 -14.189 -7.254 10.398 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -14.503 -5.789 10.662 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -15.233 -7.853 9.462 1.00 0.00 C ATOM 0 H LEU A 123 -10.354 -9.136 8.841 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.747 -9.473 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -12.072 -6.906 10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.723 -6.863 8.877 1.00 0.00 H new ATOM 0 HG LEU A 123 -14.226 -7.804 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -15.511 -5.700 11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.787 -5.387 11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -14.436 -5.229 9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -16.225 -7.733 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -15.195 -7.342 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -15.026 -8.913 9.317 1.00 0.00 H new ATOM 1185 N GLY A 124 -12.335 -8.520 7.192 1.00 0.00 N ATOM 1186 CA GLY A 124 -12.652 -8.877 5.825 1.00 0.00 C ATOM 1187 C GLY A 124 -14.126 -8.713 5.520 1.00 0.00 C ATOM 1188 O GLY A 124 -14.799 -7.871 6.118 1.00 0.00 O ATOM 0 H GLY A 124 -11.846 -7.631 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.070 -8.255 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.358 -9.911 5.643 1.00 0.00 H new ATOM 1192 N LEU A 125 -14.625 -9.520 4.596 1.00 0.00 N ATOM 1193 CA LEU A 125 -16.028 -9.470 4.199 1.00 0.00 C ATOM 1194 C LEU A 125 -16.365 -10.654 3.301 1.00 0.00 C ATOM 1195 O LEU A 125 -15.480 -11.422 2.913 1.00 0.00 O ATOM 1196 CB LEU A 125 -16.363 -8.159 3.467 1.00 0.00 C ATOM 1197 CG LEU A 125 -15.780 -7.996 2.064 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -16.542 -6.924 1.302 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -14.316 -7.633 2.157 1.00 0.00 C ATOM 0 H LEU A 125 -14.076 -10.224 4.102 1.00 0.00 H new ATOM 0 HA LEU A 125 -16.627 -9.517 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -17.447 -8.074 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -16.016 -7.327 4.080 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.877 -8.939 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -16.118 -6.816 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -17.591 -7.210 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -16.465 -5.975 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -13.905 -7.518 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.207 -6.696 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -13.778 -8.423 2.681 1.00 0.00 H new ATOM 1211 N GLY A 126 -17.644 -10.804 2.989 1.00 0.00 N ATOM 1212 CA GLY A 126 -18.065 -11.831 2.062 1.00 0.00 C ATOM 1213 C GLY A 126 -18.412 -13.134 2.750 1.00 0.00 C ATOM 1214 O GLY A 126 -17.876 -14.186 2.391 1.00 0.00 O ATOM 0 H GLY A 126 -18.399 -10.230 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -18.932 -11.478 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -17.270 -12.008 1.337 1.00 0.00 H new ATOM 1218 N ASN A 127 -19.299 -13.051 3.744 1.00 0.00 N ATOM 1219 CA ASN A 127 -19.798 -14.223 4.476 1.00 0.00 C ATOM 1220 C ASN A 127 -18.739 -14.835 5.392 1.00 0.00 C ATOM 1221 O ASN A 127 -17.572 -14.978 5.021 1.00 0.00 O ATOM 1222 CB ASN A 127 -20.345 -15.297 3.522 1.00 0.00 C ATOM 1223 CG ASN A 127 -21.735 -14.975 2.999 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -22.112 -13.812 2.858 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -22.508 -16.011 2.709 1.00 0.00 N ATOM 0 H ASN A 127 -19.694 -12.168 4.067 1.00 0.00 H new ATOM 0 HA ASN A 127 -20.613 -13.860 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -19.663 -15.408 2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -20.371 -16.256 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -23.452 -15.859 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -22.159 -16.960 2.840 1.00 0.00 H new ATOM 1232 N PRO A 128 -19.134 -15.169 6.627 1.00 0.00 N ATOM 1233 CA PRO A 128 -18.288 -15.888 7.569 1.00 0.00 C ATOM 1234 C PRO A 128 -18.347 -17.393 7.325 1.00 0.00 C ATOM 1235 O PRO A 128 -19.349 -18.021 7.727 1.00 0.00 O ATOM 1236 CB PRO A 128 -18.889 -15.542 8.943 1.00 0.00 C ATOM 1237 CG PRO A 128 -20.090 -14.683 8.676 1.00 0.00 C ATOM 1238 CD PRO A 128 -20.433 -14.854 7.222 1.00 0.00 C ATOM 1239 OXT PRO A 128 -17.413 -17.940 6.705 1.00 0.00 O ATOM 0 HA PRO A 128 -17.238 -15.610 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -19.171 -16.446 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -18.164 -15.014 9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -20.927 -14.981 9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -19.876 -13.638 8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -21.156 -15.655 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -20.865 -13.948 6.797 1.00 0.00 H new TER 1247 PRO A 128