USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1054 SER OG : rot 34:sc= 0.0402 USER MOD Single : A1055 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1062 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1063 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.038) USER MOD Single : A1064 MET CE :methyl -138:sc= -1.15 (180deg=-3.61!) USER MOD Single : A1066 TYR OH : rot 180:sc= 0 USER MOD Single : A1068 TYR OH : rot 180:sc= 0 USER MOD Single : A1071 SER OG : rot 180:sc= 0 USER MOD Single : A1087 TYR OH : rot 180:sc= 0 USER MOD Single : A1088 LYS NZ :NH3+ -113:sc= -1.96 (180deg=-4.74!) USER MOD Single : A1093 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1095 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.0043) USER MOD Single : A1097 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1099 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 -6.544 -11.821 2.334 1.00 53.40 N ATOM 2 CA SER A1054 -5.221 -12.299 2.714 1.00 1.12 C ATOM 3 C SER A1054 -4.341 -11.146 3.187 1.00 61.13 C ATOM 4 O SER A1054 -4.386 -10.049 2.631 1.00 65.54 O ATOM 5 CB SER A1054 -4.556 -13.014 1.537 1.00 64.44 C ATOM 6 OG SER A1054 -5.302 -14.152 1.142 1.00 73.03 O ATOM 0 HA SER A1054 -5.340 -13.003 3.537 1.00 1.12 H new ATOM 0 HB2 SER A1054 -4.463 -12.327 0.696 1.00 64.44 H new ATOM 0 HB3 SER A1054 -3.546 -13.316 1.815 1.00 64.44 H new ATOM 0 HG SER A1054 -6.258 -13.975 1.265 1.00 73.03 H new ATOM 12 N ASN A1055 -3.542 -11.403 4.218 1.00 74.33 N ATOM 13 CA ASN A1055 -2.652 -10.387 4.767 1.00 53.45 C ATOM 14 C ASN A1055 -1.315 -10.380 4.032 1.00 31.10 C ATOM 15 O ASN A1055 -0.489 -11.273 4.217 1.00 1.13 O ATOM 16 CB ASN A1055 -2.424 -10.631 6.260 1.00 54.31 C ATOM 17 CG ASN A1055 -3.535 -10.052 7.116 1.00 65.43 C ATOM 18 OD1 ASN A1055 -4.411 -10.776 7.589 1.00 72.44 O ATOM 19 ND2 ASN A1055 -3.501 -8.740 7.320 1.00 41.22 N ATOM 0 H ASN A1055 -3.493 -12.306 4.690 1.00 74.33 H new ATOM 0 HA ASN A1055 -3.126 -9.415 4.633 1.00 53.45 H new ATOM 0 HB2 ASN A1055 -2.349 -11.703 6.443 1.00 54.31 H new ATOM 0 HB3 ASN A1055 -1.473 -10.189 6.557 1.00 54.31 H new ATOM 0 HD21 ASN A1055 -4.220 -8.294 7.889 1.00 41.22 H new ATOM 0 HD22 ASN A1055 -2.755 -8.179 6.908 1.00 41.22 H new ATOM 26 N ALA A1056 -1.110 -9.366 3.198 1.00 70.11 N ATOM 27 CA ALA A1056 0.127 -9.241 2.437 1.00 51.54 C ATOM 28 C ALA A1056 0.875 -7.965 2.809 1.00 15.44 C ATOM 29 O ALA A1056 1.084 -7.090 1.969 1.00 63.15 O ATOM 30 CB ALA A1056 -0.167 -9.266 0.944 1.00 13.12 C ATOM 0 H ALA A1056 -1.785 -8.619 3.032 1.00 70.11 H new ATOM 0 HA ALA A1056 0.764 -10.090 2.686 1.00 51.54 H new ATOM 0 HB1 ALA A1056 0.766 -9.172 0.388 1.00 13.12 H new ATOM 0 HB2 ALA A1056 -0.651 -10.208 0.684 1.00 13.12 H new ATOM 0 HB3 ALA A1056 -0.827 -8.437 0.689 1.00 13.12 H new ATOM 36 N ASP A1057 1.272 -7.866 4.073 1.00 60.54 N ATOM 37 CA ASP A1057 1.998 -6.696 4.556 1.00 34.13 C ATOM 38 C ASP A1057 3.300 -7.107 5.234 1.00 4.12 C ATOM 39 O ASP A1057 3.647 -6.593 6.298 1.00 11.22 O ATOM 40 CB ASP A1057 1.129 -5.899 5.532 1.00 73.54 C ATOM 41 CG ASP A1057 1.695 -4.522 5.817 1.00 52.21 C ATOM 42 OD1 ASP A1057 2.261 -3.909 4.888 1.00 35.30 O ATOM 43 OD2 ASP A1057 1.572 -4.057 6.969 1.00 53.40 O ATOM 0 H ASP A1057 1.104 -8.581 4.781 1.00 60.54 H new ATOM 0 HA ASP A1057 2.239 -6.068 3.699 1.00 34.13 H new ATOM 0 HB2 ASP A1057 0.125 -5.798 5.121 1.00 73.54 H new ATOM 0 HB3 ASP A1057 1.037 -6.452 6.467 1.00 73.54 H new ATOM 48 N VAL A1058 4.018 -8.037 4.613 1.00 43.32 N ATOM 49 CA VAL A1058 5.283 -8.516 5.157 1.00 71.51 C ATOM 50 C VAL A1058 6.466 -7.824 4.489 1.00 75.41 C ATOM 51 O VAL A1058 7.433 -8.472 4.088 1.00 54.13 O ATOM 52 CB VAL A1058 5.428 -10.040 4.980 1.00 51.11 C ATOM 53 CG1 VAL A1058 4.405 -10.775 5.832 1.00 5.24 C ATOM 54 CG2 VAL A1058 5.286 -10.422 3.515 1.00 64.11 C ATOM 0 H VAL A1058 3.745 -8.474 3.733 1.00 43.32 H new ATOM 0 HA VAL A1058 5.280 -8.279 6.221 1.00 71.51 H new ATOM 0 HB VAL A1058 6.423 -10.334 5.314 1.00 51.11 H new ATOM 0 HG11 VAL A1058 4.522 -11.850 5.695 1.00 5.24 H new ATOM 0 HG12 VAL A1058 4.558 -10.525 6.882 1.00 5.24 H new ATOM 0 HG13 VAL A1058 3.400 -10.478 5.531 1.00 5.24 H new ATOM 0 HG21 VAL A1058 5.391 -11.502 3.409 1.00 64.11 H new ATOM 0 HG22 VAL A1058 4.305 -10.116 3.153 1.00 64.11 H new ATOM 0 HG23 VAL A1058 6.060 -9.923 2.932 1.00 64.11 H new ATOM 64 N VAL A1059 6.383 -6.503 4.373 1.00 5.30 N ATOM 65 CA VAL A1059 7.448 -5.721 3.755 1.00 15.14 C ATOM 66 C VAL A1059 8.513 -5.340 4.777 1.00 63.33 C ATOM 67 O VAL A1059 9.688 -5.672 4.618 1.00 32.44 O ATOM 68 CB VAL A1059 6.896 -4.439 3.102 1.00 20.34 C ATOM 69 CG1 VAL A1059 7.993 -3.717 2.335 1.00 4.32 C ATOM 70 CG2 VAL A1059 5.725 -4.769 2.190 1.00 40.52 C ATOM 0 H VAL A1059 5.589 -5.951 4.699 1.00 5.30 H new ATOM 0 HA VAL A1059 7.896 -6.348 2.984 1.00 15.14 H new ATOM 0 HB VAL A1059 6.538 -3.775 3.889 1.00 20.34 H new ATOM 0 HG11 VAL A1059 7.585 -2.814 1.880 1.00 4.32 H new ATOM 0 HG12 VAL A1059 8.798 -3.447 3.019 1.00 4.32 H new ATOM 0 HG13 VAL A1059 8.383 -4.371 1.555 1.00 4.32 H new ATOM 0 HG21 VAL A1059 5.347 -3.852 1.737 1.00 40.52 H new ATOM 0 HG22 VAL A1059 6.055 -5.452 1.407 1.00 40.52 H new ATOM 0 HG23 VAL A1059 4.932 -5.240 2.772 1.00 40.52 H new ATOM 80 N TYR A1060 8.095 -4.641 5.827 1.00 74.02 N ATOM 81 CA TYR A1060 9.014 -4.212 6.874 1.00 32.23 C ATOM 82 C TYR A1060 8.917 -5.126 8.091 1.00 23.44 C ATOM 83 O TYR A1060 9.914 -5.697 8.532 1.00 23.34 O ATOM 84 CB TYR A1060 8.718 -2.768 7.283 1.00 54.30 C ATOM 85 CG TYR A1060 8.853 -1.778 6.148 1.00 54.21 C ATOM 86 CD1 TYR A1060 7.875 -1.679 5.165 1.00 3.11 C ATOM 87 CD2 TYR A1060 9.957 -0.940 6.060 1.00 53.25 C ATOM 88 CE1 TYR A1060 7.995 -0.776 4.128 1.00 74.54 C ATOM 89 CE2 TYR A1060 10.084 -0.033 5.025 1.00 2.32 C ATOM 90 CZ TYR A1060 9.101 0.045 4.061 1.00 61.31 C ATOM 91 OH TYR A1060 9.224 0.946 3.029 1.00 0.53 O ATOM 0 H TYR A1060 7.126 -4.360 5.975 1.00 74.02 H new ATOM 0 HA TYR A1060 10.028 -4.270 6.478 1.00 32.23 H new ATOM 0 HB2 TYR A1060 7.706 -2.713 7.684 1.00 54.30 H new ATOM 0 HB3 TYR A1060 9.395 -2.481 8.087 1.00 54.30 H new ATOM 0 HD1 TYR A1060 7.007 -2.319 5.214 1.00 3.11 H new ATOM 0 HD2 TYR A1060 10.729 -0.998 6.813 1.00 53.25 H new ATOM 0 HE1 TYR A1060 7.226 -0.713 3.372 1.00 74.54 H new ATOM 0 HE2 TYR A1060 10.949 0.612 4.971 1.00 2.32 H new ATOM 0 HH TYR A1060 10.060 1.448 3.131 1.00 0.53 H new ATOM 101 N GLU A1061 7.709 -5.262 8.628 1.00 0.41 N ATOM 102 CA GLU A1061 7.481 -6.107 9.794 1.00 63.43 C ATOM 103 C GLU A1061 7.384 -7.576 9.390 1.00 45.20 C ATOM 104 O GLU A1061 7.781 -7.957 8.289 1.00 4.12 O ATOM 105 CB GLU A1061 6.203 -5.681 10.519 1.00 54.21 C ATOM 106 CG GLU A1061 6.333 -5.682 12.033 1.00 72.13 C ATOM 107 CD GLU A1061 5.453 -4.639 12.695 1.00 31.11 C ATOM 108 OE1 GLU A1061 5.339 -3.524 12.144 1.00 63.10 O ATOM 109 OE2 GLU A1061 4.879 -4.938 13.764 1.00 74.24 O ATOM 0 H GLU A1061 6.873 -4.798 8.274 1.00 0.41 H new ATOM 0 HA GLU A1061 8.329 -5.988 10.468 1.00 63.43 H new ATOM 0 HB2 GLU A1061 5.923 -4.681 10.187 1.00 54.21 H new ATOM 0 HB3 GLU A1061 5.392 -6.350 10.232 1.00 54.21 H new ATOM 0 HG2 GLU A1061 6.071 -6.669 12.416 1.00 72.13 H new ATOM 0 HG3 GLU A1061 7.373 -5.500 12.305 1.00 72.13 H new ATOM 116 N LYS A1062 6.855 -8.396 10.291 1.00 32.25 N ATOM 117 CA LYS A1062 6.704 -9.823 10.032 1.00 11.40 C ATOM 118 C LYS A1062 5.453 -10.371 10.712 1.00 32.31 C ATOM 119 O LYS A1062 5.483 -10.726 11.890 1.00 34.21 O ATOM 120 CB LYS A1062 7.939 -10.585 10.521 1.00 13.51 C ATOM 121 CG LYS A1062 9.216 -10.202 9.795 1.00 41.41 C ATOM 122 CD LYS A1062 10.304 -11.244 9.993 1.00 11.21 C ATOM 123 CE LYS A1062 10.094 -12.448 9.088 1.00 12.13 C ATOM 124 NZ LYS A1062 10.579 -12.192 7.703 1.00 42.01 N ATOM 0 H LYS A1062 6.523 -8.097 11.208 1.00 32.25 H new ATOM 0 HA LYS A1062 6.601 -9.962 8.956 1.00 11.40 H new ATOM 0 HB2 LYS A1062 8.069 -10.403 11.588 1.00 13.51 H new ATOM 0 HB3 LYS A1062 7.768 -11.654 10.398 1.00 13.51 H new ATOM 0 HG2 LYS A1062 9.010 -10.087 8.731 1.00 41.41 H new ATOM 0 HG3 LYS A1062 9.566 -9.236 10.158 1.00 41.41 H new ATOM 0 HD2 LYS A1062 11.277 -10.799 9.788 1.00 11.21 H new ATOM 0 HD3 LYS A1062 10.315 -11.567 11.034 1.00 11.21 H new ATOM 0 HE2 LYS A1062 10.617 -13.310 9.503 1.00 12.13 H new ATOM 0 HE3 LYS A1062 9.034 -12.701 9.061 1.00 12.13 H new ATOM 0 HZ1 LYS A1062 10.418 -13.036 7.117 1.00 42.01 H new ATOM 0 HZ2 LYS A1062 10.062 -11.386 7.298 1.00 42.01 H new ATOM 0 HZ3 LYS A1062 11.596 -11.975 7.726 1.00 42.01 H new ATOM 138 N GLN A1063 4.358 -10.437 9.961 1.00 1.14 N ATOM 139 CA GLN A1063 3.098 -10.942 10.493 1.00 13.24 C ATOM 140 C GLN A1063 3.298 -12.290 11.178 1.00 0.22 C ATOM 141 O GLN A1063 2.509 -12.684 12.037 1.00 5.22 O ATOM 142 CB GLN A1063 2.063 -11.074 9.374 1.00 63.41 C ATOM 143 CG GLN A1063 1.912 -9.815 8.535 1.00 32.31 C ATOM 144 CD GLN A1063 1.617 -8.587 9.374 1.00 54.02 C ATOM 145 OE1 GLN A1063 2.509 -7.789 9.662 1.00 23.44 O ATOM 146 NE2 GLN A1063 0.359 -8.428 9.769 1.00 73.13 N ATOM 0 H GLN A1063 4.318 -10.147 8.984 1.00 1.14 H new ATOM 0 HA GLN A1063 2.734 -10.229 11.233 1.00 13.24 H new ATOM 0 HB2 GLN A1063 2.346 -11.902 8.724 1.00 63.41 H new ATOM 0 HB3 GLN A1063 1.097 -11.328 9.811 1.00 63.41 H new ATOM 0 HG2 GLN A1063 2.827 -9.650 7.966 1.00 32.31 H new ATOM 0 HG3 GLN A1063 1.109 -9.958 7.813 1.00 32.31 H new ATOM 0 HE21 GLN A1063 -0.348 -9.115 9.507 1.00 73.13 H new ATOM 0 HE22 GLN A1063 0.100 -7.619 10.334 1.00 73.13 H new ATOM 155 N MET A1064 4.357 -12.994 10.791 1.00 12.21 N ATOM 156 CA MET A1064 4.660 -14.298 11.370 1.00 52.04 C ATOM 157 C MET A1064 3.522 -15.281 11.118 1.00 11.05 C ATOM 158 O MET A1064 3.379 -16.276 11.831 1.00 32.32 O ATOM 159 CB MET A1064 4.915 -14.166 12.872 1.00 22.21 C ATOM 160 CG MET A1064 6.139 -13.331 13.211 1.00 33.44 C ATOM 161 SD MET A1064 5.848 -12.194 14.579 1.00 54.30 S ATOM 162 CE MET A1064 7.081 -10.939 14.246 1.00 24.43 C ATOM 0 H MET A1064 5.019 -12.684 10.080 1.00 12.21 H new ATOM 0 HA MET A1064 5.560 -14.682 10.890 1.00 52.04 H new ATOM 0 HB2 MET A1064 4.039 -13.719 13.343 1.00 22.21 H new ATOM 0 HB3 MET A1064 5.034 -15.161 13.300 1.00 22.21 H new ATOM 0 HG2 MET A1064 6.967 -13.993 13.464 1.00 33.44 H new ATOM 0 HG3 MET A1064 6.442 -12.764 12.331 1.00 33.44 H new ATOM 0 HE1 MET A1064 7.559 -10.642 15.179 1.00 24.43 H new ATOM 0 HE2 MET A1064 7.832 -11.339 13.565 1.00 24.43 H new ATOM 0 HE3 MET A1064 6.603 -10.071 13.791 1.00 24.43 H new ATOM 172 N LEU A1065 2.714 -14.998 10.102 1.00 23.10 N ATOM 173 CA LEU A1065 1.588 -15.859 9.758 1.00 22.11 C ATOM 174 C LEU A1065 2.057 -17.089 8.989 1.00 62.43 C ATOM 175 O LEU A1065 1.518 -18.183 9.157 1.00 42.42 O ATOM 176 CB LEU A1065 0.565 -15.084 8.926 1.00 12.53 C ATOM 177 CG LEU A1065 -0.515 -14.339 9.714 1.00 74.21 C ATOM 178 CD1 LEU A1065 -0.961 -13.094 8.963 1.00 24.50 C ATOM 179 CD2 LEU A1065 -1.701 -15.253 9.988 1.00 11.01 C ATOM 0 H LEU A1065 2.818 -14.179 9.502 1.00 23.10 H new ATOM 0 HA LEU A1065 1.119 -16.190 10.685 1.00 22.11 H new ATOM 0 HB2 LEU A1065 1.100 -14.362 8.309 1.00 12.53 H new ATOM 0 HB3 LEU A1065 0.075 -15.782 8.247 1.00 12.53 H new ATOM 0 HG LEU A1065 -0.092 -14.029 10.670 1.00 74.21 H new ATOM 0 HD11 LEU A1065 -1.729 -12.577 9.539 1.00 24.50 H new ATOM 0 HD12 LEU A1065 -0.108 -12.431 8.819 1.00 24.50 H new ATOM 0 HD13 LEU A1065 -1.366 -13.380 7.992 1.00 24.50 H new ATOM 0 HD21 LEU A1065 -2.459 -14.707 10.549 1.00 11.01 H new ATOM 0 HD22 LEU A1065 -2.124 -15.593 9.043 1.00 11.01 H new ATOM 0 HD23 LEU A1065 -1.370 -16.114 10.569 1.00 11.01 H new ATOM 191 N TYR A1066 3.067 -16.902 8.145 1.00 22.44 N ATOM 192 CA TYR A1066 3.610 -17.998 7.349 1.00 13.34 C ATOM 193 C TYR A1066 3.984 -19.182 8.236 1.00 52.12 C ATOM 194 O TYR A1066 4.006 -20.328 7.784 1.00 30.14 O ATOM 195 CB TYR A1066 4.835 -17.527 6.566 1.00 70.33 C ATOM 196 CG TYR A1066 6.030 -17.216 7.438 1.00 24.34 C ATOM 197 CD1 TYR A1066 6.136 -16.000 8.099 1.00 3.33 C ATOM 198 CD2 TYR A1066 7.054 -18.142 7.602 1.00 61.35 C ATOM 199 CE1 TYR A1066 7.226 -15.712 8.897 1.00 3.02 C ATOM 200 CE2 TYR A1066 8.148 -17.864 8.399 1.00 3.12 C ATOM 201 CZ TYR A1066 8.230 -16.647 9.043 1.00 5.45 C ATOM 202 OH TYR A1066 9.317 -16.366 9.839 1.00 53.25 O ATOM 0 H TYR A1066 3.526 -16.003 7.995 1.00 22.44 H new ATOM 0 HA TYR A1066 2.840 -18.321 6.648 1.00 13.34 H new ATOM 0 HB2 TYR A1066 5.112 -18.296 5.845 1.00 70.33 H new ATOM 0 HB3 TYR A1066 4.571 -16.636 5.996 1.00 70.33 H new ATOM 0 HD1 TYR A1066 5.352 -15.266 7.987 1.00 3.33 H new ATOM 0 HD2 TYR A1066 6.993 -19.095 7.098 1.00 61.35 H new ATOM 0 HE1 TYR A1066 7.292 -14.761 9.404 1.00 3.02 H new ATOM 0 HE2 TYR A1066 8.934 -18.595 8.517 1.00 3.12 H new ATOM 0 HH TYR A1066 9.931 -17.130 9.835 1.00 53.25 H new ATOM 212 N LEU A1067 4.275 -18.898 9.499 1.00 42.50 N ATOM 213 CA LEU A1067 4.647 -19.938 10.452 1.00 64.42 C ATOM 214 C LEU A1067 3.417 -20.702 10.932 1.00 23.44 C ATOM 215 O LEU A1067 3.454 -21.923 11.085 1.00 12.13 O ATOM 216 CB LEU A1067 5.380 -19.326 11.647 1.00 50.20 C ATOM 217 CG LEU A1067 6.579 -18.436 11.315 1.00 32.12 C ATOM 218 CD1 LEU A1067 6.707 -17.312 12.331 1.00 73.31 C ATOM 219 CD2 LEU A1067 7.856 -19.261 11.267 1.00 65.51 C ATOM 0 H LEU A1067 4.261 -17.955 9.888 1.00 42.50 H new ATOM 0 HA LEU A1067 5.312 -20.638 9.946 1.00 64.42 H new ATOM 0 HB2 LEU A1067 4.666 -18.739 12.224 1.00 50.20 H new ATOM 0 HB3 LEU A1067 5.721 -20.136 12.292 1.00 50.20 H new ATOM 0 HG LEU A1067 6.418 -17.993 10.332 1.00 32.12 H new ATOM 0 HD11 LEU A1067 7.565 -16.689 12.079 1.00 73.31 H new ATOM 0 HD12 LEU A1067 5.802 -16.705 12.318 1.00 73.31 H new ATOM 0 HD13 LEU A1067 6.846 -17.735 13.326 1.00 73.31 H new ATOM 0 HD21 LEU A1067 8.699 -18.613 11.030 1.00 65.51 H new ATOM 0 HD22 LEU A1067 8.022 -19.732 12.236 1.00 65.51 H new ATOM 0 HD23 LEU A1067 7.763 -20.031 10.501 1.00 65.51 H new ATOM 231 N TYR A1068 2.331 -19.975 11.166 1.00 10.12 N ATOM 232 CA TYR A1068 1.090 -20.585 11.629 1.00 14.32 C ATOM 233 C TYR A1068 0.456 -21.433 10.531 1.00 60.41 C ATOM 234 O TYR A1068 -0.106 -22.495 10.797 1.00 33.31 O ATOM 235 CB TYR A1068 0.107 -19.505 12.086 1.00 51.31 C ATOM 236 CG TYR A1068 -1.174 -19.473 11.282 1.00 64.12 C ATOM 237 CD1 TYR A1068 -2.206 -20.364 11.546 1.00 1.22 C ATOM 238 CD2 TYR A1068 -1.351 -18.550 10.258 1.00 71.23 C ATOM 239 CE1 TYR A1068 -3.377 -20.338 10.814 1.00 54.10 C ATOM 240 CE2 TYR A1068 -2.519 -18.516 9.521 1.00 2.21 C ATOM 241 CZ TYR A1068 -3.529 -19.412 9.802 1.00 64.01 C ATOM 242 OH TYR A1068 -4.694 -19.383 9.071 1.00 54.11 O ATOM 0 H TYR A1068 2.284 -18.964 11.043 1.00 10.12 H new ATOM 0 HA TYR A1068 1.326 -21.234 12.472 1.00 14.32 H new ATOM 0 HB2 TYR A1068 -0.137 -19.668 13.136 1.00 51.31 H new ATOM 0 HB3 TYR A1068 0.593 -18.531 12.019 1.00 51.31 H new ATOM 0 HD1 TYR A1068 -2.091 -21.090 12.337 1.00 1.22 H new ATOM 0 HD2 TYR A1068 -0.562 -17.847 10.035 1.00 71.23 H new ATOM 0 HE1 TYR A1068 -4.169 -21.039 11.032 1.00 54.10 H new ATOM 0 HE2 TYR A1068 -2.640 -17.792 8.729 1.00 2.21 H new ATOM 0 HH TYR A1068 -4.641 -18.672 8.398 1.00 54.11 H new ATOM 252 N VAL A1069 0.553 -20.957 9.294 1.00 54.42 N ATOM 253 CA VAL A1069 -0.008 -21.670 8.153 1.00 73.22 C ATOM 254 C VAL A1069 0.822 -22.903 7.814 1.00 33.31 C ATOM 255 O VAL A1069 0.291 -23.918 7.360 1.00 12.32 O ATOM 256 CB VAL A1069 -0.092 -20.765 6.910 1.00 52.32 C ATOM 257 CG1 VAL A1069 1.300 -20.373 6.439 1.00 52.24 C ATOM 258 CG2 VAL A1069 -0.866 -21.456 5.798 1.00 23.35 C ATOM 0 H VAL A1069 1.015 -20.079 9.056 1.00 54.42 H new ATOM 0 HA VAL A1069 -1.014 -21.978 8.437 1.00 73.22 H new ATOM 0 HB VAL A1069 -0.627 -19.855 7.181 1.00 52.32 H new ATOM 0 HG11 VAL A1069 1.220 -19.734 5.560 1.00 52.24 H new ATOM 0 HG12 VAL A1069 1.815 -19.834 7.234 1.00 52.24 H new ATOM 0 HG13 VAL A1069 1.864 -21.270 6.185 1.00 52.24 H new ATOM 0 HG21 VAL A1069 -0.915 -20.801 4.928 1.00 23.35 H new ATOM 0 HG22 VAL A1069 -0.362 -22.384 5.526 1.00 23.35 H new ATOM 0 HG23 VAL A1069 -1.876 -21.679 6.142 1.00 23.35 H new ATOM 268 N LEU A1070 2.128 -22.810 8.038 1.00 71.14 N ATOM 269 CA LEU A1070 3.033 -23.918 7.757 1.00 73.54 C ATOM 270 C LEU A1070 2.905 -25.008 8.816 1.00 11.02 C ATOM 271 O LEU A1070 3.004 -26.197 8.513 1.00 32.32 O ATOM 272 CB LEU A1070 4.478 -23.420 7.694 1.00 62.22 C ATOM 273 CG LEU A1070 5.487 -24.363 7.036 1.00 12.44 C ATOM 274 CD1 LEU A1070 5.336 -24.334 5.523 1.00 15.42 C ATOM 275 CD2 LEU A1070 6.906 -23.991 7.439 1.00 31.31 C ATOM 0 H LEU A1070 2.584 -21.978 8.414 1.00 71.14 H new ATOM 0 HA LEU A1070 2.759 -24.342 6.791 1.00 73.54 H new ATOM 0 HB2 LEU A1070 4.491 -22.473 7.155 1.00 62.22 H new ATOM 0 HB3 LEU A1070 4.814 -23.213 8.710 1.00 62.22 H new ATOM 0 HG LEU A1070 5.287 -25.377 7.382 1.00 12.44 H new ATOM 0 HD11 LEU A1070 6.062 -25.011 5.072 1.00 15.42 H new ATOM 0 HD12 LEU A1070 4.328 -24.649 5.252 1.00 15.42 H new ATOM 0 HD13 LEU A1070 5.509 -23.321 5.159 1.00 15.42 H new ATOM 0 HD21 LEU A1070 7.610 -24.672 6.962 1.00 31.31 H new ATOM 0 HD22 LEU A1070 7.118 -22.970 7.123 1.00 31.31 H new ATOM 0 HD23 LEU A1070 7.008 -24.064 8.522 1.00 31.31 H new ATOM 287 N SER A1071 2.682 -24.595 10.059 1.00 64.23 N ATOM 288 CA SER A1071 2.542 -25.535 11.165 1.00 73.41 C ATOM 289 C SER A1071 1.197 -26.253 11.098 1.00 25.34 C ATOM 290 O SER A1071 1.065 -27.389 11.553 1.00 33.34 O ATOM 291 CB SER A1071 2.679 -24.807 12.502 1.00 11.45 C ATOM 292 OG SER A1071 2.605 -25.715 13.588 1.00 12.13 O ATOM 0 H SER A1071 2.594 -23.614 10.326 1.00 64.23 H new ATOM 0 HA SER A1071 3.336 -26.277 11.082 1.00 73.41 H new ATOM 0 HB2 SER A1071 3.629 -24.274 12.534 1.00 11.45 H new ATOM 0 HB3 SER A1071 1.891 -24.059 12.595 1.00 11.45 H new ATOM 0 HG SER A1071 2.697 -25.224 14.431 1.00 12.13 H new ATOM 298 N GLY A1072 0.202 -25.582 10.530 1.00 51.25 N ATOM 299 CA GLY A1072 -1.120 -26.170 10.414 1.00 4.01 C ATOM 300 C GLY A1072 -1.199 -27.207 9.312 1.00 72.22 C ATOM 301 O GLY A1072 -1.854 -28.238 9.466 1.00 52.41 O ATOM 0 H GLY A1072 0.287 -24.640 10.147 1.00 51.25 H new ATOM 0 HA2 GLY A1072 -1.393 -26.631 11.363 1.00 4.01 H new ATOM 0 HA3 GLY A1072 -1.849 -25.383 10.221 1.00 4.01 H new ATOM 305 N ILE A1073 -0.531 -26.935 8.196 1.00 50.43 N ATOM 306 CA ILE A1073 -0.529 -27.852 7.064 1.00 42.13 C ATOM 307 C ILE A1073 0.340 -29.072 7.347 1.00 13.25 C ATOM 308 O ILE A1073 0.069 -30.168 6.857 1.00 73.22 O ATOM 309 CB ILE A1073 -0.025 -27.163 5.782 1.00 65.52 C ATOM 310 CG1 ILE A1073 1.456 -26.802 5.920 1.00 52.44 C ATOM 311 CG2 ILE A1073 -0.852 -25.922 5.486 1.00 14.04 C ATOM 312 CD1 ILE A1073 2.042 -26.165 4.678 1.00 11.44 C ATOM 0 H ILE A1073 0.016 -26.086 8.052 1.00 50.43 H new ATOM 0 HA ILE A1073 -1.561 -28.170 6.914 1.00 42.13 H new ATOM 0 HB ILE A1073 -0.136 -27.856 4.948 1.00 65.52 H new ATOM 0 HG12 ILE A1073 1.578 -26.119 6.761 1.00 52.44 H new ATOM 0 HG13 ILE A1073 2.021 -27.704 6.157 1.00 52.44 H new ATOM 0 HG21 ILE A1073 -0.483 -25.447 4.577 1.00 14.04 H new ATOM 0 HG22 ILE A1073 -1.896 -26.204 5.350 1.00 14.04 H new ATOM 0 HG23 ILE A1073 -0.771 -25.224 6.319 1.00 14.04 H new ATOM 0 HD11 ILE A1073 3.094 -25.936 4.848 1.00 11.44 H new ATOM 0 HD12 ILE A1073 1.952 -26.854 3.838 1.00 11.44 H new ATOM 0 HD13 ILE A1073 1.503 -25.245 4.452 1.00 11.44 H new ATOM 324 N GLY A1074 1.385 -28.877 8.145 1.00 61.04 N ATOM 325 CA GLY A1074 2.278 -29.971 8.481 1.00 52.21 C ATOM 326 C GLY A1074 1.669 -30.925 9.489 1.00 1.13 C ATOM 327 O GLY A1074 1.913 -32.130 9.439 1.00 14.33 O ATOM 0 H GLY A1074 1.630 -27.980 8.565 1.00 61.04 H new ATOM 0 HA2 GLY A1074 2.534 -30.519 7.574 1.00 52.21 H new ATOM 0 HA3 GLY A1074 3.208 -29.567 8.882 1.00 52.21 H new ATOM 331 N GLY A1075 0.875 -30.386 10.408 1.00 12.43 N ATOM 332 CA GLY A1075 0.243 -31.212 11.420 1.00 21.01 C ATOM 333 C GLY A1075 -0.924 -32.010 10.873 1.00 53.12 C ATOM 334 O GLY A1075 -1.212 -33.109 11.347 1.00 11.43 O ATOM 0 H GLY A1075 0.658 -29.391 10.470 1.00 12.43 H new ATOM 0 HA2 GLY A1075 0.981 -31.895 11.840 1.00 21.01 H new ATOM 0 HA3 GLY A1075 -0.105 -30.579 12.236 1.00 21.01 H new ATOM 338 N LEU A1076 -1.600 -31.456 9.871 1.00 44.30 N ATOM 339 CA LEU A1076 -2.744 -32.121 9.259 1.00 2.12 C ATOM 340 C LEU A1076 -2.292 -33.292 8.392 1.00 62.34 C ATOM 341 O LEU A1076 -2.917 -34.354 8.388 1.00 44.42 O ATOM 342 CB LEU A1076 -3.546 -31.128 8.418 1.00 52.13 C ATOM 343 CG LEU A1076 -4.808 -30.561 9.070 1.00 22.21 C ATOM 344 CD1 LEU A1076 -5.845 -31.656 9.269 1.00 41.15 C ATOM 345 CD2 LEU A1076 -4.470 -29.898 10.397 1.00 44.33 C ATOM 0 H LEU A1076 -1.375 -30.547 9.466 1.00 44.30 H new ATOM 0 HA LEU A1076 -3.379 -32.507 10.056 1.00 2.12 H new ATOM 0 HB2 LEU A1076 -2.893 -30.296 8.153 1.00 52.13 H new ATOM 0 HB3 LEU A1076 -3.831 -31.618 7.487 1.00 52.13 H new ATOM 0 HG LEU A1076 -5.229 -29.807 8.406 1.00 22.21 H new ATOM 0 HD11 LEU A1076 -6.736 -31.233 9.734 1.00 41.15 H new ATOM 0 HD12 LEU A1076 -6.109 -32.087 8.303 1.00 41.15 H new ATOM 0 HD13 LEU A1076 -5.434 -32.434 9.913 1.00 41.15 H new ATOM 0 HD21 LEU A1076 -5.380 -29.500 10.847 1.00 44.33 H new ATOM 0 HD22 LEU A1076 -4.025 -30.633 11.068 1.00 44.33 H new ATOM 0 HD23 LEU A1076 -3.763 -29.085 10.228 1.00 44.33 H new ATOM 357 N LEU A1077 -1.202 -33.093 7.659 1.00 51.32 N ATOM 358 CA LEU A1077 -0.664 -34.132 6.788 1.00 13.43 C ATOM 359 C LEU A1077 -0.074 -35.276 7.607 1.00 14.22 C ATOM 360 O LEU A1077 -0.149 -36.440 7.211 1.00 54.11 O ATOM 361 CB LEU A1077 0.404 -33.548 5.863 1.00 62.53 C ATOM 362 CG LEU A1077 1.834 -33.551 6.404 1.00 61.33 C ATOM 363 CD1 LEU A1077 2.518 -34.876 6.100 1.00 14.54 C ATOM 364 CD2 LEU A1077 2.629 -32.393 5.816 1.00 1.40 C ATOM 0 H LEU A1077 -0.673 -32.221 7.651 1.00 51.32 H new ATOM 0 HA LEU A1077 -1.482 -34.525 6.184 1.00 13.43 H new ATOM 0 HB2 LEU A1077 0.390 -34.106 4.927 1.00 62.53 H new ATOM 0 HB3 LEU A1077 0.129 -32.520 5.626 1.00 62.53 H new ATOM 0 HG LEU A1077 1.792 -33.426 7.486 1.00 61.33 H new ATOM 0 HD11 LEU A1077 3.535 -34.859 6.493 1.00 14.54 H new ATOM 0 HD12 LEU A1077 1.962 -35.688 6.568 1.00 14.54 H new ATOM 0 HD13 LEU A1077 2.548 -35.031 5.021 1.00 14.54 H new ATOM 0 HD21 LEU A1077 3.644 -32.411 6.212 1.00 1.40 H new ATOM 0 HD22 LEU A1077 2.661 -32.488 4.731 1.00 1.40 H new ATOM 0 HD23 LEU A1077 2.151 -31.451 6.084 1.00 1.40 H new ATOM 376 N LEU A1078 0.511 -34.937 8.750 1.00 32.24 N ATOM 377 CA LEU A1078 1.112 -35.937 9.627 1.00 74.34 C ATOM 378 C LEU A1078 0.039 -36.723 10.373 1.00 51.01 C ATOM 379 O LEU A1078 0.244 -37.881 10.741 1.00 65.21 O ATOM 380 CB LEU A1078 2.056 -35.266 10.625 1.00 2.23 C ATOM 381 CG LEU A1078 3.551 -35.441 10.359 1.00 60.34 C ATOM 382 CD1 LEU A1078 3.908 -34.936 8.969 1.00 41.55 C ATOM 383 CD2 LEU A1078 4.370 -34.718 11.417 1.00 45.10 C ATOM 0 H LEU A1078 0.582 -33.979 9.092 1.00 32.24 H new ATOM 0 HA LEU A1078 1.681 -36.632 9.009 1.00 74.34 H new ATOM 0 HB2 LEU A1078 1.833 -34.199 10.644 1.00 2.23 H new ATOM 0 HB3 LEU A1078 1.837 -35.655 11.619 1.00 2.23 H new ATOM 0 HG LEU A1078 3.787 -36.504 10.410 1.00 60.34 H new ATOM 0 HD11 LEU A1078 4.976 -35.068 8.797 1.00 41.55 H new ATOM 0 HD12 LEU A1078 3.348 -35.499 8.222 1.00 41.55 H new ATOM 0 HD13 LEU A1078 3.656 -33.878 8.890 1.00 41.55 H new ATOM 0 HD21 LEU A1078 5.432 -34.854 11.211 1.00 45.10 H new ATOM 0 HD22 LEU A1078 4.130 -33.655 11.399 1.00 45.10 H new ATOM 0 HD23 LEU A1078 4.136 -35.126 12.400 1.00 45.10 H new ATOM 395 N LEU A1079 -1.108 -36.089 10.591 1.00 61.32 N ATOM 396 CA LEU A1079 -2.215 -36.730 11.292 1.00 41.31 C ATOM 397 C LEU A1079 -2.896 -37.765 10.402 1.00 23.31 C ATOM 398 O LEU A1079 -3.287 -38.837 10.867 1.00 63.01 O ATOM 399 CB LEU A1079 -3.233 -35.681 11.744 1.00 33.13 C ATOM 400 CG LEU A1079 -4.011 -36.006 13.019 1.00 4.15 C ATOM 401 CD1 LEU A1079 -4.748 -37.328 12.873 1.00 10.15 C ATOM 402 CD2 LEU A1079 -3.075 -36.045 14.218 1.00 23.15 C ATOM 0 H LEU A1079 -1.296 -35.132 10.292 1.00 61.32 H new ATOM 0 HA LEU A1079 -1.813 -37.239 12.168 1.00 41.31 H new ATOM 0 HB2 LEU A1079 -2.710 -34.736 11.893 1.00 33.13 H new ATOM 0 HB3 LEU A1079 -3.948 -35.526 10.936 1.00 33.13 H new ATOM 0 HG LEU A1079 -4.748 -35.220 13.183 1.00 4.15 H new ATOM 0 HD11 LEU A1079 -5.296 -37.542 13.791 1.00 10.15 H new ATOM 0 HD12 LEU A1079 -5.447 -37.265 12.039 1.00 10.15 H new ATOM 0 HD13 LEU A1079 -4.030 -38.126 12.684 1.00 10.15 H new ATOM 0 HD21 LEU A1079 -3.645 -36.278 15.117 1.00 23.15 H new ATOM 0 HD22 LEU A1079 -2.315 -36.811 14.062 1.00 23.15 H new ATOM 0 HD23 LEU A1079 -2.593 -35.074 14.335 1.00 23.15 H new ATOM 414 N LEU A1080 -3.032 -37.440 9.121 1.00 43.42 N ATOM 415 CA LEU A1080 -3.663 -38.343 8.165 1.00 42.21 C ATOM 416 C LEU A1080 -2.749 -39.521 7.845 1.00 53.23 C ATOM 417 O LEU A1080 -3.211 -40.651 7.675 1.00 41.11 O ATOM 418 CB LEU A1080 -4.015 -37.591 6.881 1.00 14.23 C ATOM 419 CG LEU A1080 -4.940 -38.323 5.907 1.00 31.32 C ATOM 420 CD1 LEU A1080 -6.340 -38.446 6.491 1.00 53.15 C ATOM 421 CD2 LEU A1080 -4.980 -37.605 4.567 1.00 15.23 C ATOM 0 H LEU A1080 -2.714 -36.558 8.720 1.00 43.42 H new ATOM 0 HA LEU A1080 -4.578 -38.729 8.615 1.00 42.21 H new ATOM 0 HB2 LEU A1080 -4.483 -36.645 7.154 1.00 14.23 H new ATOM 0 HB3 LEU A1080 -3.089 -37.349 6.359 1.00 14.23 H new ATOM 0 HG LEU A1080 -4.546 -39.327 5.746 1.00 31.32 H new ATOM 0 HD11 LEU A1080 -6.984 -38.969 5.784 1.00 53.15 H new ATOM 0 HD12 LEU A1080 -6.297 -39.005 7.426 1.00 53.15 H new ATOM 0 HD13 LEU A1080 -6.743 -37.451 6.682 1.00 53.15 H new ATOM 0 HD21 LEU A1080 -5.643 -38.140 3.887 1.00 15.23 H new ATOM 0 HD22 LEU A1080 -5.349 -36.589 4.709 1.00 15.23 H new ATOM 0 HD23 LEU A1080 -3.977 -37.570 4.143 1.00 15.23 H new ATOM 433 N LEU A1081 -1.451 -39.252 7.765 1.00 11.41 N ATOM 434 CA LEU A1081 -0.471 -40.290 7.467 1.00 53.01 C ATOM 435 C LEU A1081 -0.218 -41.167 8.689 1.00 21.33 C ATOM 436 O LEU A1081 0.038 -42.366 8.563 1.00 13.50 O ATOM 437 CB LEU A1081 0.842 -39.660 6.997 1.00 4.23 C ATOM 438 CG LEU A1081 1.973 -39.621 8.025 1.00 23.41 C ATOM 439 CD1 LEU A1081 2.702 -40.956 8.069 1.00 15.44 C ATOM 440 CD2 LEU A1081 2.943 -38.493 7.707 1.00 4.21 C ATOM 0 H LEU A1081 -1.052 -38.323 7.902 1.00 11.41 H new ATOM 0 HA LEU A1081 -0.873 -40.916 6.670 1.00 53.01 H new ATOM 0 HB2 LEU A1081 1.192 -40.208 6.122 1.00 4.23 H new ATOM 0 HB3 LEU A1081 0.637 -38.640 6.673 1.00 4.23 H new ATOM 0 HG LEU A1081 1.539 -39.435 9.007 1.00 23.41 H new ATOM 0 HD11 LEU A1081 3.503 -40.909 8.806 1.00 15.44 H new ATOM 0 HD12 LEU A1081 2.001 -41.744 8.345 1.00 15.44 H new ATOM 0 HD13 LEU A1081 3.124 -41.173 7.088 1.00 15.44 H new ATOM 0 HD21 LEU A1081 3.742 -38.480 8.449 1.00 4.21 H new ATOM 0 HD22 LEU A1081 3.370 -38.649 6.716 1.00 4.21 H new ATOM 0 HD23 LEU A1081 2.413 -37.541 7.728 1.00 4.21 H new ATOM 452 N ILE A1082 -0.294 -40.564 9.870 1.00 0.52 N ATOM 453 CA ILE A1082 -0.077 -41.291 11.115 1.00 75.21 C ATOM 454 C ILE A1082 -1.205 -42.283 11.375 1.00 1.00 C ATOM 455 O ILE A1082 -0.974 -43.386 11.872 1.00 44.35 O ATOM 456 CB ILE A1082 0.036 -40.333 12.315 1.00 53.24 C ATOM 457 CG1 ILE A1082 1.474 -39.831 12.462 1.00 22.32 C ATOM 458 CG2 ILE A1082 -0.424 -41.023 13.590 1.00 22.41 C ATOM 459 CD1 ILE A1082 1.585 -38.528 13.222 1.00 73.24 C ATOM 0 H ILE A1082 -0.504 -39.573 9.991 1.00 0.52 H new ATOM 0 HA ILE A1082 0.862 -41.833 11.004 1.00 75.21 H new ATOM 0 HB ILE A1082 -0.611 -39.474 12.137 1.00 53.24 H new ATOM 0 HG12 ILE A1082 2.065 -40.591 12.972 1.00 22.32 H new ATOM 0 HG13 ILE A1082 1.908 -39.702 11.471 1.00 22.32 H new ATOM 0 HG21 ILE A1082 -0.338 -40.332 14.429 1.00 22.41 H new ATOM 0 HG22 ILE A1082 -1.463 -41.334 13.481 1.00 22.41 H new ATOM 0 HG23 ILE A1082 0.199 -41.898 13.775 1.00 22.41 H new ATOM 0 HD11 ILE A1082 2.632 -38.233 13.287 1.00 73.24 H new ATOM 0 HD12 ILE A1082 1.022 -37.754 12.701 1.00 73.24 H new ATOM 0 HD13 ILE A1082 1.181 -38.657 14.226 1.00 73.24 H new ATOM 471 N PHE A1083 -2.426 -41.886 11.034 1.00 4.40 N ATOM 472 CA PHE A1083 -3.592 -42.740 11.231 1.00 22.43 C ATOM 473 C PHE A1083 -3.598 -43.889 10.227 1.00 21.25 C ATOM 474 O PHE A1083 -3.991 -45.011 10.553 1.00 44.23 O ATOM 475 CB PHE A1083 -4.877 -41.923 11.096 1.00 14.55 C ATOM 476 CG PHE A1083 -5.429 -41.452 12.411 1.00 5.43 C ATOM 477 CD1 PHE A1083 -4.586 -40.954 13.392 1.00 2.22 C ATOM 478 CD2 PHE A1083 -6.789 -41.505 12.668 1.00 52.24 C ATOM 479 CE1 PHE A1083 -5.090 -40.520 14.604 1.00 40.21 C ATOM 480 CE2 PHE A1083 -7.299 -41.072 13.877 1.00 54.22 C ATOM 481 CZ PHE A1083 -6.448 -40.578 14.846 1.00 71.31 C ATOM 0 H PHE A1083 -2.634 -40.978 10.620 1.00 4.40 H new ATOM 0 HA PHE A1083 -3.541 -43.158 12.236 1.00 22.43 H new ATOM 0 HB2 PHE A1083 -4.683 -41.058 10.462 1.00 14.55 H new ATOM 0 HB3 PHE A1083 -5.630 -42.527 10.590 1.00 14.55 H new ATOM 0 HD1 PHE A1083 -3.523 -40.904 13.207 1.00 2.22 H new ATOM 0 HD2 PHE A1083 -7.459 -41.890 11.914 1.00 52.24 H new ATOM 0 HE1 PHE A1083 -4.422 -40.136 15.361 1.00 40.21 H new ATOM 0 HE2 PHE A1083 -8.362 -41.120 14.064 1.00 54.22 H new ATOM 0 HZ PHE A1083 -6.844 -40.238 15.791 1.00 71.31 H new ATOM 491 N ILE A1084 -3.161 -43.602 9.005 1.00 11.42 N ATOM 492 CA ILE A1084 -3.117 -44.611 7.954 1.00 24.35 C ATOM 493 C ILE A1084 -1.976 -45.596 8.186 1.00 24.43 C ATOM 494 O ILE A1084 -2.112 -46.792 7.927 1.00 41.22 O ATOM 495 CB ILE A1084 -2.950 -43.969 6.564 1.00 21.10 C ATOM 496 CG1 ILE A1084 -4.104 -43.005 6.282 1.00 31.12 C ATOM 497 CG2 ILE A1084 -2.875 -45.043 5.489 1.00 4.34 C ATOM 498 CD1 ILE A1084 -5.332 -43.683 5.715 1.00 53.44 C ATOM 0 H ILE A1084 -2.833 -42.680 8.719 1.00 11.42 H new ATOM 0 HA ILE A1084 -4.067 -45.144 7.988 1.00 24.35 H new ATOM 0 HB ILE A1084 -2.018 -43.404 6.551 1.00 21.10 H new ATOM 0 HG12 ILE A1084 -4.375 -42.495 7.206 1.00 31.12 H new ATOM 0 HG13 ILE A1084 -3.766 -42.240 5.583 1.00 31.12 H new ATOM 0 HG21 ILE A1084 -2.757 -44.573 4.513 1.00 4.34 H new ATOM 0 HG22 ILE A1084 -2.023 -45.694 5.684 1.00 4.34 H new ATOM 0 HG23 ILE A1084 -3.792 -45.633 5.499 1.00 4.34 H new ATOM 0 HD11 ILE A1084 -6.110 -42.940 5.540 1.00 53.44 H new ATOM 0 HD12 ILE A1084 -5.077 -44.170 4.774 1.00 53.44 H new ATOM 0 HD13 ILE A1084 -5.695 -44.428 6.422 1.00 53.44 H new ATOM 510 N VAL A1085 -0.852 -45.086 8.678 1.00 63.22 N ATOM 511 CA VAL A1085 0.313 -45.921 8.949 1.00 32.54 C ATOM 512 C VAL A1085 0.079 -46.815 10.162 1.00 33.22 C ATOM 513 O VAL A1085 0.643 -47.906 10.262 1.00 55.44 O ATOM 514 CB VAL A1085 1.572 -45.068 9.190 1.00 54.14 C ATOM 515 CG1 VAL A1085 2.699 -45.924 9.748 1.00 53.44 C ATOM 516 CG2 VAL A1085 2.002 -44.379 7.903 1.00 64.53 C ATOM 0 H VAL A1085 -0.723 -44.098 8.897 1.00 63.22 H new ATOM 0 HA VAL A1085 0.468 -46.543 8.067 1.00 32.54 H new ATOM 0 HB VAL A1085 1.334 -44.300 9.925 1.00 54.14 H new ATOM 0 HG11 VAL A1085 3.580 -45.304 9.912 1.00 53.44 H new ATOM 0 HG12 VAL A1085 2.386 -46.366 10.694 1.00 53.44 H new ATOM 0 HG13 VAL A1085 2.940 -46.716 9.039 1.00 53.44 H new ATOM 0 HG21 VAL A1085 2.893 -43.780 8.091 1.00 64.53 H new ATOM 0 HG22 VAL A1085 2.223 -45.130 7.144 1.00 64.53 H new ATOM 0 HG23 VAL A1085 1.198 -43.733 7.550 1.00 64.53 H new ATOM 526 N LEU A1086 -0.758 -46.347 11.081 1.00 2.12 N ATOM 527 CA LEU A1086 -1.069 -47.103 12.289 1.00 32.44 C ATOM 528 C LEU A1086 -2.160 -48.136 12.020 1.00 72.23 C ATOM 529 O LEU A1086 -2.235 -49.164 12.690 1.00 23.25 O ATOM 530 CB LEU A1086 -1.511 -46.158 13.407 1.00 20.40 C ATOM 531 CG LEU A1086 -0.391 -45.539 14.243 1.00 24.30 C ATOM 532 CD1 LEU A1086 -0.960 -44.557 15.255 1.00 1.11 C ATOM 533 CD2 LEU A1086 0.415 -46.624 14.945 1.00 54.30 C ATOM 0 H LEU A1086 -1.234 -45.447 11.013 1.00 2.12 H new ATOM 0 HA LEU A1086 -0.166 -47.628 12.601 1.00 32.44 H new ATOM 0 HB2 LEU A1086 -2.095 -45.351 12.964 1.00 20.40 H new ATOM 0 HB3 LEU A1086 -2.177 -46.704 14.075 1.00 20.40 H new ATOM 0 HG LEU A1086 0.276 -44.995 13.574 1.00 24.30 H new ATOM 0 HD11 LEU A1086 -0.148 -44.127 15.841 1.00 1.11 H new ATOM 0 HD12 LEU A1086 -1.491 -43.762 14.732 1.00 1.11 H new ATOM 0 HD13 LEU A1086 -1.650 -45.078 15.919 1.00 1.11 H new ATOM 0 HD21 LEU A1086 1.208 -46.164 15.535 1.00 54.30 H new ATOM 0 HD22 LEU A1086 -0.240 -47.197 15.601 1.00 54.30 H new ATOM 0 HD23 LEU A1086 0.855 -47.289 14.202 1.00 54.30 H new ATOM 545 N TYR A1087 -3.002 -47.854 11.031 1.00 11.12 N ATOM 546 CA TYR A1087 -4.089 -48.757 10.673 1.00 35.11 C ATOM 547 C TYR A1087 -3.612 -49.821 9.689 1.00 4.11 C ATOM 548 O TYR A1087 -4.244 -50.865 9.530 1.00 25.44 O ATOM 549 CB TYR A1087 -5.253 -47.972 10.066 1.00 52.40 C ATOM 550 CG TYR A1087 -5.776 -48.564 8.777 1.00 11.11 C ATOM 551 CD1 TYR A1087 -5.200 -48.237 7.556 1.00 73.22 C ATOM 552 CD2 TYR A1087 -6.848 -49.448 8.779 1.00 4.13 C ATOM 553 CE1 TYR A1087 -5.675 -48.775 6.375 1.00 53.12 C ATOM 554 CE2 TYR A1087 -7.328 -49.993 7.604 1.00 41.43 C ATOM 555 CZ TYR A1087 -6.739 -49.652 6.404 1.00 1.23 C ATOM 556 OH TYR A1087 -7.215 -50.190 5.231 1.00 32.30 O ATOM 0 H TYR A1087 -2.952 -47.008 10.464 1.00 11.12 H new ATOM 0 HA TYR A1087 -4.428 -49.254 11.582 1.00 35.11 H new ATOM 0 HB2 TYR A1087 -6.066 -47.925 10.791 1.00 52.40 H new ATOM 0 HB3 TYR A1087 -4.932 -46.947 9.881 1.00 52.40 H new ATOM 0 HD1 TYR A1087 -4.367 -47.551 7.529 1.00 73.22 H new ATOM 0 HD2 TYR A1087 -7.314 -49.714 9.716 1.00 4.13 H new ATOM 0 HE1 TYR A1087 -5.215 -48.510 5.434 1.00 53.12 H new ATOM 0 HE2 TYR A1087 -8.159 -50.682 7.625 1.00 41.43 H new ATOM 0 HH TYR A1087 -7.966 -50.789 5.427 1.00 32.30 H new ATOM 566 N LYS A1088 -2.490 -49.548 9.030 1.00 42.11 N ATOM 567 CA LYS A1088 -1.924 -50.480 8.063 1.00 40.35 C ATOM 568 C LYS A1088 -0.960 -51.449 8.740 1.00 30.13 C ATOM 569 O LYS A1088 -0.836 -52.604 8.332 1.00 13.32 O ATOM 570 CB LYS A1088 -1.198 -49.716 6.953 1.00 74.21 C ATOM 571 CG LYS A1088 0.177 -49.213 7.358 1.00 34.40 C ATOM 572 CD LYS A1088 0.920 -48.611 6.177 1.00 20.15 C ATOM 573 CE LYS A1088 0.151 -47.449 5.569 1.00 43.33 C ATOM 574 NZ LYS A1088 0.977 -46.211 5.503 1.00 62.13 N ATOM 0 H LYS A1088 -1.955 -48.688 9.149 1.00 42.11 H new ATOM 0 HA LYS A1088 -2.742 -51.054 7.627 1.00 40.35 H new ATOM 0 HB2 LYS A1088 -1.096 -50.365 6.083 1.00 74.21 H new ATOM 0 HB3 LYS A1088 -1.810 -48.868 6.647 1.00 74.21 H new ATOM 0 HG2 LYS A1088 0.075 -48.465 8.144 1.00 34.40 H new ATOM 0 HG3 LYS A1088 0.759 -50.036 7.774 1.00 34.40 H new ATOM 0 HD2 LYS A1088 1.903 -48.269 6.500 1.00 20.15 H new ATOM 0 HD3 LYS A1088 1.083 -49.377 5.419 1.00 20.15 H new ATOM 0 HE2 LYS A1088 -0.181 -47.718 4.566 1.00 43.33 H new ATOM 0 HE3 LYS A1088 -0.744 -47.257 6.160 1.00 43.33 H new ATOM 0 HZ1 LYS A1088 0.585 -45.497 6.150 1.00 62.13 H new ATOM 0 HZ2 LYS A1088 1.955 -46.431 5.781 1.00 62.13 H new ATOM 0 HZ3 LYS A1088 0.968 -45.839 4.532 1.00 62.13 H new ATOM 588 N VAL A1089 -0.280 -50.972 9.779 1.00 15.41 N ATOM 589 CA VAL A1089 0.670 -51.797 10.515 1.00 34.33 C ATOM 590 C VAL A1089 -0.051 -52.805 11.404 1.00 51.34 C ATOM 591 O VAL A1089 0.458 -53.894 11.665 1.00 52.52 O ATOM 592 CB VAL A1089 1.604 -50.936 11.385 1.00 2.31 C ATOM 593 CG1 VAL A1089 2.512 -50.084 10.513 1.00 14.31 C ATOM 594 CG2 VAL A1089 0.795 -50.067 12.336 1.00 33.21 C ATOM 0 H VAL A1089 -0.370 -50.018 10.129 1.00 15.41 H new ATOM 0 HA VAL A1089 1.266 -52.331 9.775 1.00 34.33 H new ATOM 0 HB VAL A1089 2.231 -51.600 11.980 1.00 2.31 H new ATOM 0 HG11 VAL A1089 3.165 -49.483 11.146 1.00 14.31 H new ATOM 0 HG12 VAL A1089 3.118 -50.730 9.878 1.00 14.31 H new ATOM 0 HG13 VAL A1089 1.906 -49.427 9.889 1.00 14.31 H new ATOM 0 HG21 VAL A1089 1.471 -49.465 12.943 1.00 33.21 H new ATOM 0 HG22 VAL A1089 0.141 -49.410 11.762 1.00 33.21 H new ATOM 0 HG23 VAL A1089 0.192 -50.702 12.985 1.00 33.21 H new ATOM 604 N GLY A1090 -1.242 -52.433 11.867 1.00 25.40 N ATOM 605 CA GLY A1090 -2.013 -53.315 12.722 1.00 72.43 C ATOM 606 C GLY A1090 -2.250 -52.727 14.098 1.00 23.10 C ATOM 607 O GLY A1090 -2.217 -53.441 15.101 1.00 12.22 O ATOM 0 H GLY A1090 -1.685 -51.537 11.665 1.00 25.40 H new ATOM 0 HA2 GLY A1090 -2.973 -53.526 12.250 1.00 72.43 H new ATOM 0 HA3 GLY A1090 -1.491 -54.267 12.822 1.00 72.43 H new ATOM 611 N PHE A1091 -2.488 -51.421 14.149 1.00 41.35 N ATOM 612 CA PHE A1091 -2.729 -50.736 15.414 1.00 34.24 C ATOM 613 C PHE A1091 -4.192 -50.321 15.538 1.00 53.34 C ATOM 614 O PHE A1091 -4.898 -50.756 16.448 1.00 34.22 O ATOM 615 CB PHE A1091 -1.826 -49.506 15.532 1.00 22.25 C ATOM 616 CG PHE A1091 -1.459 -49.167 16.949 1.00 53.51 C ATOM 617 CD1 PHE A1091 -0.847 -50.104 17.764 1.00 14.33 C ATOM 618 CD2 PHE A1091 -1.728 -47.908 17.465 1.00 74.41 C ATOM 619 CE1 PHE A1091 -0.509 -49.794 19.068 1.00 65.03 C ATOM 620 CE2 PHE A1091 -1.391 -47.592 18.767 1.00 31.22 C ATOM 621 CZ PHE A1091 -0.781 -48.537 19.571 1.00 34.21 C ATOM 0 H PHE A1091 -2.519 -50.815 13.329 1.00 41.35 H new ATOM 0 HA PHE A1091 -2.497 -51.428 16.223 1.00 34.24 H new ATOM 0 HB2 PHE A1091 -0.914 -49.678 14.960 1.00 22.25 H new ATOM 0 HB3 PHE A1091 -2.329 -48.651 15.081 1.00 22.25 H new ATOM 0 HD1 PHE A1091 -0.631 -51.089 17.376 1.00 14.33 H new ATOM 0 HD2 PHE A1091 -2.206 -47.167 16.842 1.00 74.41 H new ATOM 0 HE1 PHE A1091 -0.032 -50.535 19.693 1.00 65.03 H new ATOM 0 HE2 PHE A1091 -1.604 -46.607 19.157 1.00 31.22 H new ATOM 0 HZ PHE A1091 -0.518 -48.293 20.590 1.00 34.21 H new ATOM 631 N PHE A1092 -4.641 -49.474 14.616 1.00 25.10 N ATOM 632 CA PHE A1092 -6.018 -48.998 14.622 1.00 54.44 C ATOM 633 C PHE A1092 -6.900 -49.873 13.736 1.00 54.30 C ATOM 634 O PHE A1092 -8.120 -49.706 13.694 1.00 4.02 O ATOM 635 CB PHE A1092 -6.081 -47.545 14.146 1.00 23.31 C ATOM 636 CG PHE A1092 -5.984 -46.544 15.262 1.00 5.30 C ATOM 637 CD1 PHE A1092 -7.115 -46.152 15.958 1.00 1.30 C ATOM 638 CD2 PHE A1092 -4.760 -45.997 15.615 1.00 12.34 C ATOM 639 CE1 PHE A1092 -7.029 -45.231 16.985 1.00 65.14 C ATOM 640 CE2 PHE A1092 -4.668 -45.075 16.642 1.00 31.03 C ATOM 641 CZ PHE A1092 -5.803 -44.693 17.328 1.00 11.52 C ATOM 0 H PHE A1092 -4.070 -49.104 13.856 1.00 25.10 H new ATOM 0 HA PHE A1092 -6.390 -49.054 15.645 1.00 54.44 H new ATOM 0 HB2 PHE A1092 -5.271 -47.368 13.438 1.00 23.31 H new ATOM 0 HB3 PHE A1092 -7.016 -47.388 13.608 1.00 23.31 H new ATOM 0 HD1 PHE A1092 -8.075 -46.571 15.695 1.00 1.30 H new ATOM 0 HD2 PHE A1092 -3.869 -46.294 15.082 1.00 12.34 H new ATOM 0 HE1 PHE A1092 -7.919 -44.932 17.519 1.00 65.14 H new ATOM 0 HE2 PHE A1092 -3.709 -44.655 16.907 1.00 31.03 H new ATOM 0 HZ PHE A1092 -5.733 -43.975 18.132 1.00 11.52 H new ATOM 651 N LYS A1093 -6.275 -50.805 13.026 1.00 22.12 N ATOM 652 CA LYS A1093 -7.000 -51.708 12.139 1.00 21.13 C ATOM 653 C LYS A1093 -8.154 -52.381 12.875 1.00 22.04 C ATOM 654 O LYS A1093 -7.940 -53.189 13.779 1.00 21.11 O ATOM 655 CB LYS A1093 -6.053 -52.770 11.573 1.00 13.44 C ATOM 656 CG LYS A1093 -6.673 -53.612 10.472 1.00 40.52 C ATOM 657 CD LYS A1093 -5.882 -53.508 9.179 1.00 60.04 C ATOM 658 CE LYS A1093 -6.333 -54.548 8.164 1.00 3.30 C ATOM 659 NZ LYS A1093 -5.286 -54.814 7.140 1.00 65.32 N ATOM 0 H LYS A1093 -5.266 -50.956 13.047 1.00 22.12 H new ATOM 0 HA LYS A1093 -7.409 -51.120 11.317 1.00 21.13 H new ATOM 0 HB2 LYS A1093 -5.161 -52.279 11.185 1.00 13.44 H new ATOM 0 HB3 LYS A1093 -5.730 -53.425 12.382 1.00 13.44 H new ATOM 0 HG2 LYS A1093 -6.717 -54.654 10.790 1.00 40.52 H new ATOM 0 HG3 LYS A1093 -7.699 -53.288 10.299 1.00 40.52 H new ATOM 0 HD2 LYS A1093 -6.002 -52.510 8.757 1.00 60.04 H new ATOM 0 HD3 LYS A1093 -4.821 -53.639 9.389 1.00 60.04 H new ATOM 0 HE2 LYS A1093 -6.580 -55.476 8.680 1.00 3.30 H new ATOM 0 HE3 LYS A1093 -7.243 -54.205 7.672 1.00 3.30 H new ATOM 0 HZ1 LYS A1093 -5.632 -55.528 6.467 1.00 65.32 H new ATOM 0 HZ2 LYS A1093 -5.068 -53.934 6.630 1.00 65.32 H new ATOM 0 HZ3 LYS A1093 -4.426 -55.166 7.606 1.00 65.32 H new ATOM 673 N ARG A1094 -9.378 -52.045 12.480 1.00 20.31 N ATOM 674 CA ARG A1094 -10.566 -52.617 13.102 1.00 24.34 C ATOM 675 C ARG A1094 -11.815 -52.295 12.288 1.00 71.32 C ATOM 676 O ARG A1094 -12.103 -51.132 12.010 1.00 60.41 O ATOM 677 CB ARG A1094 -10.724 -52.091 14.530 1.00 71.52 C ATOM 678 CG ARG A1094 -11.480 -53.038 15.447 1.00 40.10 C ATOM 679 CD ARG A1094 -10.640 -54.253 15.808 1.00 74.10 C ATOM 680 NE ARG A1094 -9.357 -53.877 16.395 1.00 2.20 N ATOM 681 CZ ARG A1094 -9.223 -53.418 17.635 1.00 20.22 C ATOM 682 NH1 ARG A1094 -10.287 -53.279 18.413 1.00 33.41 N ATOM 683 NH2 ARG A1094 -8.022 -53.097 18.098 1.00 44.23 N ATOM 0 H ARG A1094 -9.573 -51.379 11.732 1.00 20.31 H new ATOM 0 HA ARG A1094 -10.443 -53.700 13.133 1.00 24.34 H new ATOM 0 HB2 ARG A1094 -9.736 -51.903 14.950 1.00 71.52 H new ATOM 0 HB3 ARG A1094 -11.245 -51.134 14.500 1.00 71.52 H new ATOM 0 HG2 ARG A1094 -11.770 -52.512 16.356 1.00 40.10 H new ATOM 0 HG3 ARG A1094 -12.399 -53.362 14.959 1.00 40.10 H new ATOM 0 HD2 ARG A1094 -11.191 -54.878 16.511 1.00 74.10 H new ATOM 0 HD3 ARG A1094 -10.468 -54.853 14.914 1.00 74.10 H new ATOM 0 HE ARG A1094 -8.518 -53.972 15.822 1.00 2.20 H new ATOM 0 HH11 ARG A1094 -11.212 -53.525 18.061 1.00 33.41 H new ATOM 0 HH12 ARG A1094 -10.181 -52.926 19.364 1.00 33.41 H new ATOM 0 HH21 ARG A1094 -7.201 -53.202 17.502 1.00 44.23 H new ATOM 0 HH22 ARG A1094 -7.920 -52.745 19.050 1.00 44.23 H new ATOM 697 N ASN A1095 -12.552 -53.334 11.907 1.00 42.10 N ATOM 698 CA ASN A1095 -13.770 -53.161 11.123 1.00 5.32 C ATOM 699 C ASN A1095 -14.963 -53.801 11.825 1.00 53.52 C ATOM 700 O ASN A1095 -15.419 -54.879 11.440 1.00 21.10 O ATOM 701 CB ASN A1095 -13.595 -53.770 9.730 1.00 4.52 C ATOM 702 CG ASN A1095 -14.762 -53.458 8.814 1.00 71.43 C ATOM 703 OD1 ASN A1095 -15.339 -54.354 8.198 1.00 72.13 O ATOM 704 ND2 ASN A1095 -15.115 -52.181 8.718 1.00 65.45 N ATOM 0 H ASN A1095 -12.327 -54.304 12.128 1.00 42.10 H new ATOM 0 HA ASN A1095 -13.961 -52.092 11.023 1.00 5.32 H new ATOM 0 HB2 ASN A1095 -12.675 -53.392 9.284 1.00 4.52 H new ATOM 0 HB3 ASN A1095 -13.485 -54.851 9.820 1.00 4.52 H new ATOM 0 HD21 ASN A1095 -15.892 -51.911 8.115 1.00 65.45 H new ATOM 0 HD22 ASN A1095 -14.609 -51.471 9.247 1.00 65.45 H new ATOM 711 N LEU A1096 -15.466 -53.130 12.856 1.00 74.21 N ATOM 712 CA LEU A1096 -16.609 -53.633 13.611 1.00 40.41 C ATOM 713 C LEU A1096 -17.915 -53.074 13.057 1.00 12.54 C ATOM 714 O LEU A1096 -18.867 -53.818 12.814 1.00 42.43 O ATOM 715 CB LEU A1096 -16.468 -53.264 15.089 1.00 35.14 C ATOM 716 CG LEU A1096 -17.179 -54.187 16.081 1.00 62.52 C ATOM 717 CD1 LEU A1096 -18.683 -54.151 15.862 1.00 33.51 C ATOM 718 CD2 LEU A1096 -16.653 -55.610 15.954 1.00 2.32 C ATOM 0 H LEU A1096 -15.101 -52.237 13.188 1.00 74.21 H new ATOM 0 HA LEU A1096 -16.631 -54.718 13.514 1.00 40.41 H new ATOM 0 HB2 LEU A1096 -15.407 -53.243 15.338 1.00 35.14 H new ATOM 0 HB3 LEU A1096 -16.848 -52.252 15.228 1.00 35.14 H new ATOM 0 HG LEU A1096 -16.972 -53.832 17.091 1.00 62.52 H new ATOM 0 HD11 LEU A1096 -19.171 -54.814 16.577 1.00 33.51 H new ATOM 0 HD12 LEU A1096 -19.047 -53.133 16.004 1.00 33.51 H new ATOM 0 HD13 LEU A1096 -18.911 -54.480 14.848 1.00 33.51 H new ATOM 0 HD21 LEU A1096 -17.169 -56.254 16.666 1.00 2.32 H new ATOM 0 HD22 LEU A1096 -16.830 -55.974 14.942 1.00 2.32 H new ATOM 0 HD23 LEU A1096 -15.583 -55.622 16.163 1.00 2.32 H new ATOM 730 N LYS A1097 -17.955 -51.761 12.858 1.00 1.32 N ATOM 731 CA LYS A1097 -19.144 -51.103 12.330 1.00 40.24 C ATOM 732 C LYS A1097 -19.471 -51.611 10.930 1.00 23.22 C ATOM 733 O LYS A1097 -18.589 -52.071 10.205 1.00 5.11 O ATOM 734 CB LYS A1097 -18.940 -49.586 12.298 1.00 50.34 C ATOM 735 CG LYS A1097 -17.659 -49.159 11.602 1.00 11.34 C ATOM 736 CD LYS A1097 -17.611 -47.655 11.398 1.00 65.04 C ATOM 737 CE LYS A1097 -16.727 -47.281 10.217 1.00 53.51 C ATOM 738 NZ LYS A1097 -16.124 -45.929 10.382 1.00 71.34 N ATOM 0 H LYS A1097 -17.177 -51.131 13.055 1.00 1.32 H new ATOM 0 HA LYS A1097 -19.981 -51.338 12.987 1.00 40.24 H new ATOM 0 HB2 LYS A1097 -19.789 -49.124 11.794 1.00 50.34 H new ATOM 0 HB3 LYS A1097 -18.932 -49.207 13.320 1.00 50.34 H new ATOM 0 HG2 LYS A1097 -16.800 -49.475 12.194 1.00 11.34 H new ATOM 0 HG3 LYS A1097 -17.583 -49.661 10.637 1.00 11.34 H new ATOM 0 HD2 LYS A1097 -18.620 -47.277 11.233 1.00 65.04 H new ATOM 0 HD3 LYS A1097 -17.235 -47.176 12.302 1.00 65.04 H new ATOM 0 HE2 LYS A1097 -15.934 -48.021 10.108 1.00 53.51 H new ATOM 0 HE3 LYS A1097 -17.316 -47.307 9.300 1.00 53.51 H new ATOM 0 HZ1 LYS A1097 -15.529 -45.711 9.557 1.00 71.34 H new ATOM 0 HZ2 LYS A1097 -16.880 -45.219 10.461 1.00 71.34 H new ATOM 0 HZ3 LYS A1097 -15.541 -45.911 11.243 1.00 71.34 H new ATOM 752 N GLU A1098 -20.744 -51.525 10.556 1.00 54.12 N ATOM 753 CA GLU A1098 -21.186 -51.977 9.242 1.00 63.45 C ATOM 754 C GLU A1098 -21.565 -50.792 8.358 1.00 22.22 C ATOM 755 O GLU A1098 -21.410 -50.839 7.138 1.00 63.44 O ATOM 756 CB GLU A1098 -22.378 -52.927 9.379 1.00 63.21 C ATOM 757 CG GLU A1098 -23.515 -52.360 10.212 1.00 23.32 C ATOM 758 CD GLU A1098 -24.797 -53.158 10.069 1.00 63.33 C ATOM 759 OE1 GLU A1098 -25.090 -53.610 8.942 1.00 75.10 O ATOM 760 OE2 GLU A1098 -25.506 -53.329 11.081 1.00 12.31 O ATOM 0 H GLU A1098 -21.487 -51.147 11.144 1.00 54.12 H new ATOM 0 HA GLU A1098 -20.359 -52.509 8.772 1.00 63.45 H new ATOM 0 HB2 GLU A1098 -22.753 -53.171 8.385 1.00 63.21 H new ATOM 0 HB3 GLU A1098 -22.039 -53.860 9.830 1.00 63.21 H new ATOM 0 HG2 GLU A1098 -23.218 -52.341 11.261 1.00 23.32 H new ATOM 0 HG3 GLU A1098 -23.699 -51.328 9.914 1.00 23.32 H new ATOM 767 N LYS A1099 -22.062 -49.731 8.983 1.00 11.32 N ATOM 768 CA LYS A1099 -22.464 -48.532 8.257 1.00 71.41 C ATOM 769 C LYS A1099 -21.268 -47.618 8.012 1.00 20.33 C ATOM 770 O LYS A1099 -21.057 -46.649 8.741 1.00 52.32 O ATOM 771 CB LYS A1099 -23.546 -47.778 9.032 1.00 22.33 C ATOM 772 CG LYS A1099 -24.263 -46.723 8.208 1.00 31.23 C ATOM 773 CD LYS A1099 -25.467 -46.162 8.945 1.00 21.14 C ATOM 774 CE LYS A1099 -26.631 -47.141 8.940 1.00 72.14 C ATOM 775 NZ LYS A1099 -27.667 -46.777 9.946 1.00 65.34 N ATOM 0 H LYS A1099 -22.196 -49.677 9.993 1.00 11.32 H new ATOM 0 HA LYS A1099 -22.867 -48.841 7.292 1.00 71.41 H new ATOM 0 HB2 LYS A1099 -24.278 -48.494 9.406 1.00 22.33 H new ATOM 0 HB3 LYS A1099 -23.093 -47.302 9.901 1.00 22.33 H new ATOM 0 HG2 LYS A1099 -23.572 -45.914 7.970 1.00 31.23 H new ATOM 0 HG3 LYS A1099 -24.585 -47.156 7.261 1.00 31.23 H new ATOM 0 HD2 LYS A1099 -25.190 -45.930 9.973 1.00 21.14 H new ATOM 0 HD3 LYS A1099 -25.776 -45.226 8.480 1.00 21.14 H new ATOM 0 HE2 LYS A1099 -27.081 -47.165 7.948 1.00 72.14 H new ATOM 0 HE3 LYS A1099 -26.261 -48.145 9.147 1.00 72.14 H new ATOM 0 HZ1 LYS A1099 -28.443 -47.468 9.911 1.00 65.34 H new ATOM 0 HZ2 LYS A1099 -27.244 -46.779 10.896 1.00 65.34 H new ATOM 0 HZ3 LYS A1099 -28.038 -45.829 9.734 1.00 65.34 H new ATOM 789 N MET A1100 -20.488 -47.933 6.983 1.00 51.13 N ATOM 790 CA MET A1100 -19.314 -47.136 6.642 1.00 34.13 C ATOM 791 C MET A1100 -19.722 -45.758 6.132 1.00 71.43 C ATOM 792 O MET A1100 -19.099 -44.752 6.469 1.00 23.31 O ATOM 793 CB MET A1100 -18.474 -47.856 5.586 1.00 22.33 C ATOM 794 CG MET A1100 -18.122 -49.287 5.960 1.00 12.12 C ATOM 795 SD MET A1100 -16.654 -49.888 5.105 1.00 74.30 S ATOM 796 CE MET A1100 -17.387 -51.038 3.943 1.00 63.35 C ATOM 0 H MET A1100 -20.647 -48.733 6.371 1.00 51.13 H new ATOM 0 HA MET A1100 -18.717 -47.007 7.545 1.00 34.13 H new ATOM 0 HB2 MET A1100 -19.018 -47.860 4.642 1.00 22.33 H new ATOM 0 HB3 MET A1100 -17.554 -47.295 5.422 1.00 22.33 H new ATOM 0 HG2 MET A1100 -17.961 -49.348 7.036 1.00 12.12 H new ATOM 0 HG3 MET A1100 -18.965 -49.937 5.727 1.00 12.12 H new ATOM 0 HE1 MET A1100 -16.603 -51.494 3.339 1.00 63.35 H new ATOM 0 HE2 MET A1100 -17.922 -51.815 4.489 1.00 63.35 H new ATOM 0 HE3 MET A1100 -18.082 -50.506 3.294 1.00 63.35 H new ATOM 806 N GLU A1101 -20.772 -45.720 5.316 1.00 60.12 N ATOM 807 CA GLU A1101 -21.260 -44.465 4.758 1.00 3.53 C ATOM 808 C GLU A1101 -20.196 -43.808 3.882 1.00 14.43 C ATOM 809 O GLU A1101 -19.982 -42.598 3.950 1.00 23.11 O ATOM 810 CB GLU A1101 -21.672 -43.509 5.881 1.00 21.11 C ATOM 811 CG GLU A1101 -22.607 -42.402 5.424 1.00 15.33 C ATOM 812 CD GLU A1101 -23.084 -41.532 6.570 1.00 12.51 C ATOM 813 OE1 GLU A1101 -22.776 -41.864 7.735 1.00 52.10 O ATOM 814 OE2 GLU A1101 -23.764 -40.519 6.304 1.00 40.51 O ATOM 0 H GLU A1101 -21.300 -46.544 5.027 1.00 60.12 H new ATOM 0 HA GLU A1101 -22.130 -44.686 4.139 1.00 3.53 H new ATOM 0 HB2 GLU A1101 -22.157 -44.080 6.673 1.00 21.11 H new ATOM 0 HB3 GLU A1101 -20.777 -43.062 6.313 1.00 21.11 H new ATOM 0 HG2 GLU A1101 -22.096 -41.780 4.689 1.00 15.33 H new ATOM 0 HG3 GLU A1101 -23.469 -42.843 4.924 1.00 15.33 H new ATOM 821 N ALA A1102 -19.535 -44.616 3.060 1.00 2.22 N ATOM 822 CA ALA A1102 -18.496 -44.115 2.169 1.00 0.41 C ATOM 823 C ALA A1102 -19.057 -43.820 0.783 1.00 74.40 C ATOM 824 O ALA A1102 -19.960 -44.508 0.308 1.00 34.30 O ATOM 825 CB ALA A1102 -17.353 -45.114 2.077 1.00 73.52 C ATOM 0 H ALA A1102 -19.701 -45.620 2.993 1.00 2.22 H new ATOM 0 HA ALA A1102 -18.115 -43.182 2.584 1.00 0.41 H new ATOM 0 HB1 ALA A1102 -16.584 -44.727 1.408 1.00 73.52 H new ATOM 0 HB2 ALA A1102 -16.927 -45.271 3.068 1.00 73.52 H new ATOM 0 HB3 ALA A1102 -17.728 -46.061 1.689 1.00 73.52 H new ATOM 831 N GLY A1103 -18.517 -42.791 0.136 1.00 31.21 N ATOM 832 CA GLY A1103 -18.977 -42.423 -1.190 1.00 41.11 C ATOM 833 C GLY A1103 -19.690 -41.085 -1.206 1.00 2.35 C ATOM 834 O GLY A1103 -20.820 -41.015 -1.686 1.00 51.24 O ATOM 0 H GLY A1103 -17.769 -42.206 0.507 1.00 31.21 H new ATOM 0 HA2 GLY A1103 -18.125 -42.385 -1.869 1.00 41.11 H new ATOM 0 HA3 GLY A1103 -19.650 -43.194 -1.565 1.00 41.11 H new TER 838 GLY A1103