USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 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 13:sc= 0.514 USER MOD Single : A1055 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.043) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1062 LYS NZ :NH3+ -116:sc= 0.514 (180deg=-0.00782) USER MOD Single : A1063 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.8!) USER MOD Single : A1064 MET CE :methyl -131:sc= -1.05 (180deg=-3.28!) USER MOD Single : A1066 TYR OH : rot 180:sc= -0.148 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+ -178:sc= -0.211 (180deg=-0.213) USER MOD Single : A1093 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1095 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1097 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0373) USER MOD Single : A1099 LYS NZ :NH3+ -157:sc=-0.00147 (180deg=-0.539) USER MOD Single : A1100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 -4.268 -1.260 10.094 1.00 10.45 N ATOM 2 CA SER A1054 -5.574 -0.699 10.421 1.00 51.14 C ATOM 3 C SER A1054 -6.407 -0.492 9.160 1.00 52.41 C ATOM 4 O SER A1054 -7.556 -0.926 9.084 1.00 43.11 O ATOM 5 CB SER A1054 -5.410 0.631 11.161 1.00 61.23 C ATOM 6 OG SER A1054 -4.227 0.637 11.942 1.00 40.12 O ATOM 0 HA SER A1054 -6.094 -1.405 11.068 1.00 51.14 H new ATOM 0 HB2 SER A1054 -5.379 1.450 10.442 1.00 61.23 H new ATOM 0 HB3 SER A1054 -6.274 0.803 11.803 1.00 61.23 H new ATOM 0 HG SER A1054 -3.662 -0.121 11.685 1.00 40.12 H new ATOM 12 N ASN A1055 -5.818 0.174 8.172 1.00 72.01 N ATOM 13 CA ASN A1055 -6.506 0.439 6.914 1.00 70.55 C ATOM 14 C ASN A1055 -6.256 -0.682 5.910 1.00 70.41 C ATOM 15 O ASN A1055 -7.178 -1.145 5.238 1.00 20.30 O ATOM 16 CB ASN A1055 -6.043 1.775 6.328 1.00 55.42 C ATOM 17 CG ASN A1055 -6.785 2.956 6.924 1.00 33.14 C ATOM 18 OD1 ASN A1055 -6.172 3.906 7.409 1.00 41.50 O ATOM 19 ND2 ASN A1055 -8.112 2.899 6.892 1.00 33.20 N ATOM 0 H ASN A1055 -4.867 0.540 8.218 1.00 72.01 H new ATOM 0 HA ASN A1055 -7.576 0.489 7.117 1.00 70.55 H new ATOM 0 HB2 ASN A1055 -4.974 1.895 6.504 1.00 55.42 H new ATOM 0 HB3 ASN A1055 -6.189 1.765 5.248 1.00 55.42 H new ATOM 0 HD21 ASN A1055 -8.665 3.663 7.280 1.00 33.20 H new ATOM 0 HD22 ASN A1055 -8.578 2.091 6.480 1.00 33.20 H new ATOM 26 N ALA A1056 -5.003 -1.115 5.815 1.00 24.44 N ATOM 27 CA ALA A1056 -4.632 -2.184 4.896 1.00 20.24 C ATOM 28 C ALA A1056 -4.839 -3.553 5.535 1.00 33.55 C ATOM 29 O ALA A1056 -5.228 -3.654 6.699 1.00 60.13 O ATOM 30 CB ALA A1056 -3.186 -2.021 4.452 1.00 0.41 C ATOM 0 H ALA A1056 -4.228 -0.742 6.363 1.00 24.44 H new ATOM 0 HA ALA A1056 -5.279 -2.118 4.021 1.00 20.24 H new ATOM 0 HB1 ALA A1056 -2.923 -2.826 3.766 1.00 0.41 H new ATOM 0 HB2 ALA A1056 -3.066 -1.062 3.948 1.00 0.41 H new ATOM 0 HB3 ALA A1056 -2.532 -2.058 5.323 1.00 0.41 H new ATOM 36 N ASP A1057 -4.579 -4.606 4.765 1.00 4.42 N ATOM 37 CA ASP A1057 -4.737 -5.969 5.257 1.00 30.23 C ATOM 38 C ASP A1057 -3.404 -6.531 5.740 1.00 22.24 C ATOM 39 O ASP A1057 -3.302 -7.709 6.083 1.00 31.54 O ATOM 40 CB ASP A1057 -5.315 -6.865 4.160 1.00 64.51 C ATOM 41 CG ASP A1057 -5.770 -8.210 4.691 1.00 74.52 C ATOM 42 OD1 ASP A1057 -6.233 -8.266 5.850 1.00 43.24 O ATOM 43 OD2 ASP A1057 -5.665 -9.208 3.947 1.00 34.32 O ATOM 0 H ASP A1057 -4.258 -4.541 3.799 1.00 4.42 H new ATOM 0 HA ASP A1057 -5.428 -5.947 6.100 1.00 30.23 H new ATOM 0 HB2 ASP A1057 -6.158 -6.360 3.689 1.00 64.51 H new ATOM 0 HB3 ASP A1057 -4.563 -7.019 3.386 1.00 64.51 H new ATOM 48 N VAL A1058 -2.383 -5.680 5.764 1.00 60.40 N ATOM 49 CA VAL A1058 -1.056 -6.092 6.205 1.00 44.32 C ATOM 50 C VAL A1058 -0.069 -4.932 6.131 1.00 44.00 C ATOM 51 O VAL A1058 0.423 -4.586 5.057 1.00 32.43 O ATOM 52 CB VAL A1058 -0.520 -7.261 5.358 1.00 24.21 C ATOM 53 CG1 VAL A1058 -0.669 -6.960 3.875 1.00 43.54 C ATOM 54 CG2 VAL A1058 0.932 -7.550 5.708 1.00 71.12 C ATOM 0 H VAL A1058 -2.450 -4.702 5.483 1.00 60.40 H new ATOM 0 HA VAL A1058 -1.154 -6.419 7.240 1.00 44.32 H new ATOM 0 HB VAL A1058 -1.109 -8.150 5.584 1.00 24.21 H new ATOM 0 HG11 VAL A1058 -0.285 -7.798 3.293 1.00 43.54 H new ATOM 0 HG12 VAL A1058 -1.722 -6.807 3.639 1.00 43.54 H new ATOM 0 HG13 VAL A1058 -0.107 -6.059 3.628 1.00 43.54 H new ATOM 0 HG21 VAL A1058 1.295 -8.379 5.100 1.00 71.12 H new ATOM 0 HG22 VAL A1058 1.537 -6.665 5.512 1.00 71.12 H new ATOM 0 HG23 VAL A1058 1.006 -7.814 6.763 1.00 71.12 H new ATOM 64 N VAL A1059 0.218 -4.333 7.283 1.00 43.15 N ATOM 65 CA VAL A1059 1.149 -3.211 7.351 1.00 34.20 C ATOM 66 C VAL A1059 2.407 -3.587 8.124 1.00 21.22 C ATOM 67 O VAL A1059 3.484 -3.043 7.880 1.00 65.00 O ATOM 68 CB VAL A1059 0.499 -1.982 8.014 1.00 64.11 C ATOM 69 CG1 VAL A1059 1.408 -0.769 7.895 1.00 1.51 C ATOM 70 CG2 VAL A1059 -0.862 -1.701 7.398 1.00 73.31 C ATOM 0 H VAL A1059 -0.180 -4.605 8.182 1.00 43.15 H new ATOM 0 HA VAL A1059 1.419 -2.960 6.325 1.00 34.20 H new ATOM 0 HB VAL A1059 0.355 -2.196 9.073 1.00 64.11 H new ATOM 0 HG11 VAL A1059 0.933 0.090 8.369 1.00 1.51 H new ATOM 0 HG12 VAL A1059 2.358 -0.976 8.388 1.00 1.51 H new ATOM 0 HG13 VAL A1059 1.586 -0.550 6.842 1.00 1.51 H new ATOM 0 HG21 VAL A1059 -1.306 -0.829 7.879 1.00 73.31 H new ATOM 0 HG22 VAL A1059 -0.746 -1.507 6.332 1.00 73.31 H new ATOM 0 HG23 VAL A1059 -1.511 -2.565 7.541 1.00 73.31 H new ATOM 80 N TYR A1060 2.265 -4.523 9.056 1.00 11.55 N ATOM 81 CA TYR A1060 3.390 -4.971 9.868 1.00 20.33 C ATOM 82 C TYR A1060 4.571 -5.367 8.989 1.00 62.30 C ATOM 83 O TYR A1060 4.416 -5.605 7.792 1.00 51.02 O ATOM 84 CB TYR A1060 2.974 -6.153 10.745 1.00 10.25 C ATOM 85 CG TYR A1060 2.396 -5.742 12.081 1.00 12.24 C ATOM 86 CD1 TYR A1060 1.476 -4.704 12.172 1.00 21.23 C ATOM 87 CD2 TYR A1060 2.771 -6.389 13.252 1.00 34.20 C ATOM 88 CE1 TYR A1060 0.946 -4.324 13.390 1.00 20.53 C ATOM 89 CE2 TYR A1060 2.245 -6.017 14.473 1.00 3.11 C ATOM 90 CZ TYR A1060 1.333 -4.984 14.538 1.00 64.40 C ATOM 91 OH TYR A1060 0.808 -4.610 15.754 1.00 72.13 O ATOM 0 H TYR A1060 1.381 -4.986 9.268 1.00 11.55 H new ATOM 0 HA TYR A1060 3.697 -4.143 10.507 1.00 20.33 H new ATOM 0 HB2 TYR A1060 2.237 -6.751 10.208 1.00 10.25 H new ATOM 0 HB3 TYR A1060 3.841 -6.792 10.915 1.00 10.25 H new ATOM 0 HD1 TYR A1060 1.170 -4.186 11.275 1.00 21.23 H new ATOM 0 HD2 TYR A1060 3.486 -7.197 13.206 1.00 34.20 H new ATOM 0 HE1 TYR A1060 0.233 -3.515 13.443 1.00 20.53 H new ATOM 0 HE2 TYR A1060 2.546 -6.532 15.373 1.00 3.11 H new ATOM 0 HH TYR A1060 1.184 -5.176 16.460 1.00 72.13 H new ATOM 101 N GLU A1061 5.754 -5.437 9.593 1.00 3.31 N ATOM 102 CA GLU A1061 6.963 -5.803 8.866 1.00 32.01 C ATOM 103 C GLU A1061 7.062 -7.318 8.705 1.00 61.13 C ATOM 104 O GLU A1061 7.716 -7.815 7.787 1.00 0.10 O ATOM 105 CB GLU A1061 8.202 -5.274 9.591 1.00 73.41 C ATOM 106 CG GLU A1061 8.569 -6.073 10.830 1.00 20.21 C ATOM 107 CD GLU A1061 9.735 -7.014 10.593 1.00 72.23 C ATOM 108 OE1 GLU A1061 9.999 -7.346 9.418 1.00 12.10 O ATOM 109 OE2 GLU A1061 10.382 -7.418 11.581 1.00 21.12 O ATOM 0 H GLU A1061 5.900 -5.245 10.584 1.00 3.31 H new ATOM 0 HA GLU A1061 6.911 -5.351 7.875 1.00 32.01 H new ATOM 0 HB2 GLU A1061 9.046 -5.280 8.902 1.00 73.41 H new ATOM 0 HB3 GLU A1061 8.031 -4.236 9.876 1.00 73.41 H new ATOM 0 HG2 GLU A1061 8.819 -5.387 11.639 1.00 20.21 H new ATOM 0 HG3 GLU A1061 7.703 -6.649 11.156 1.00 20.21 H new ATOM 116 N LYS A1062 6.410 -8.046 9.604 1.00 53.20 N ATOM 117 CA LYS A1062 6.423 -9.504 9.563 1.00 13.14 C ATOM 118 C LYS A1062 5.265 -10.081 10.372 1.00 5.24 C ATOM 119 O LYS A1062 5.384 -10.292 11.579 1.00 21.40 O ATOM 120 CB LYS A1062 7.751 -10.038 10.103 1.00 62.04 C ATOM 121 CG LYS A1062 8.702 -10.511 9.016 1.00 22.15 C ATOM 122 CD LYS A1062 8.119 -11.675 8.234 1.00 73.31 C ATOM 123 CE LYS A1062 8.936 -12.943 8.429 1.00 72.41 C ATOM 124 NZ LYS A1062 8.838 -13.852 7.254 1.00 33.31 N ATOM 0 H LYS A1062 5.865 -7.651 10.371 1.00 53.20 H new ATOM 0 HA LYS A1062 6.309 -9.814 8.524 1.00 13.14 H new ATOM 0 HB2 LYS A1062 8.238 -9.256 10.685 1.00 62.04 H new ATOM 0 HB3 LYS A1062 7.551 -10.865 10.784 1.00 62.04 H new ATOM 0 HG2 LYS A1062 8.918 -9.687 8.336 1.00 22.15 H new ATOM 0 HG3 LYS A1062 9.649 -10.811 9.465 1.00 22.15 H new ATOM 0 HD2 LYS A1062 7.092 -11.850 8.553 1.00 73.31 H new ATOM 0 HD3 LYS A1062 8.085 -11.422 7.174 1.00 73.31 H new ATOM 0 HE2 LYS A1062 9.980 -12.680 8.598 1.00 72.41 H new ATOM 0 HE3 LYS A1062 8.590 -13.464 9.321 1.00 72.41 H new ATOM 0 HZ1 LYS A1062 8.376 -14.739 7.539 1.00 33.31 H new ATOM 0 HZ2 LYS A1062 8.278 -13.394 6.507 1.00 33.31 H new ATOM 0 HZ3 LYS A1062 9.792 -14.058 6.894 1.00 33.31 H new ATOM 138 N GLN A1063 4.147 -10.334 9.699 1.00 5.44 N ATOM 139 CA GLN A1063 2.969 -10.887 10.357 1.00 34.22 C ATOM 140 C GLN A1063 3.313 -12.177 11.095 1.00 11.52 C ATOM 141 O GLN A1063 2.607 -12.582 12.018 1.00 3.23 O ATOM 142 CB GLN A1063 1.864 -11.152 9.333 1.00 41.44 C ATOM 143 CG GLN A1063 1.585 -9.968 8.420 1.00 42.02 C ATOM 144 CD GLN A1063 2.241 -10.113 7.061 1.00 73.21 C ATOM 145 OE1 GLN A1063 3.309 -9.553 6.810 1.00 2.41 O ATOM 146 NE2 GLN A1063 1.604 -10.867 6.173 1.00 31.04 N ATOM 0 H GLN A1063 4.032 -10.165 8.700 1.00 5.44 H new ATOM 0 HA GLN A1063 2.614 -10.157 11.084 1.00 34.22 H new ATOM 0 HB2 GLN A1063 2.143 -12.012 8.724 1.00 41.44 H new ATOM 0 HB3 GLN A1063 0.948 -11.418 9.860 1.00 41.44 H new ATOM 0 HG2 GLN A1063 0.508 -9.860 8.290 1.00 42.02 H new ATOM 0 HG3 GLN A1063 1.942 -9.055 8.896 1.00 42.02 H new ATOM 0 HE21 GLN A1063 0.721 -11.313 6.422 1.00 31.04 H new ATOM 0 HE22 GLN A1063 1.997 -11.000 5.241 1.00 31.04 H new ATOM 155 N MET A1064 4.402 -12.817 10.682 1.00 5.22 N ATOM 156 CA MET A1064 4.840 -14.060 11.306 1.00 71.33 C ATOM 157 C MET A1064 3.755 -15.128 11.208 1.00 62.30 C ATOM 158 O MET A1064 3.757 -16.100 11.965 1.00 3.12 O ATOM 159 CB MET A1064 5.204 -13.820 12.772 1.00 41.31 C ATOM 160 CG MET A1064 6.423 -12.929 12.957 1.00 4.35 C ATOM 161 SD MET A1064 6.175 -11.669 14.223 1.00 64.04 S ATOM 162 CE MET A1064 7.340 -10.418 13.686 1.00 30.11 C ATOM 0 H MET A1064 4.997 -12.496 9.918 1.00 5.22 H new ATOM 0 HA MET A1064 5.723 -14.413 10.774 1.00 71.33 H new ATOM 0 HB2 MET A1064 4.353 -13.367 13.280 1.00 41.31 H new ATOM 0 HB3 MET A1064 5.389 -14.780 13.254 1.00 41.31 H new ATOM 0 HG2 MET A1064 7.281 -13.545 13.226 1.00 4.35 H new ATOM 0 HG3 MET A1064 6.662 -12.445 12.010 1.00 4.35 H new ATOM 0 HE1 MET A1064 7.951 -10.102 14.532 1.00 30.11 H new ATOM 0 HE2 MET A1064 7.983 -10.830 12.908 1.00 30.11 H new ATOM 0 HE3 MET A1064 6.796 -9.560 13.291 1.00 30.11 H new ATOM 172 N LEU A1065 2.831 -14.943 10.273 1.00 53.41 N ATOM 173 CA LEU A1065 1.740 -15.891 10.077 1.00 55.22 C ATOM 174 C LEU A1065 2.214 -17.113 9.296 1.00 52.25 C ATOM 175 O LEU A1065 1.658 -18.202 9.431 1.00 64.10 O ATOM 176 CB LEU A1065 0.580 -15.218 9.338 1.00 4.24 C ATOM 177 CG LEU A1065 -0.381 -14.402 10.203 1.00 51.34 C ATOM 178 CD1 LEU A1065 -1.248 -13.503 9.334 1.00 34.11 C ATOM 179 CD2 LEU A1065 -1.247 -15.321 11.052 1.00 53.14 C ATOM 0 H LEU A1065 2.815 -14.145 9.638 1.00 53.41 H new ATOM 0 HA LEU A1065 1.397 -16.220 11.058 1.00 55.22 H new ATOM 0 HB2 LEU A1065 0.994 -14.562 8.572 1.00 4.24 H new ATOM 0 HB3 LEU A1065 0.008 -15.989 8.822 1.00 4.24 H new ATOM 0 HG LEU A1065 0.207 -13.772 10.870 1.00 51.34 H new ATOM 0 HD11 LEU A1065 -1.926 -12.930 9.966 1.00 34.11 H new ATOM 0 HD12 LEU A1065 -0.613 -12.820 8.770 1.00 34.11 H new ATOM 0 HD13 LEU A1065 -1.827 -14.115 8.642 1.00 34.11 H new ATOM 0 HD21 LEU A1065 -1.925 -14.722 11.661 1.00 53.14 H new ATOM 0 HD22 LEU A1065 -1.827 -15.977 10.403 1.00 53.14 H new ATOM 0 HD23 LEU A1065 -0.611 -15.923 11.701 1.00 53.14 H new ATOM 191 N TYR A1066 3.246 -16.923 8.480 1.00 12.15 N ATOM 192 CA TYR A1066 3.794 -18.009 7.678 1.00 23.45 C ATOM 193 C TYR A1066 4.152 -19.207 8.554 1.00 42.11 C ATOM 194 O TYR A1066 4.189 -20.346 8.085 1.00 54.53 O ATOM 195 CB TYR A1066 5.033 -17.534 6.916 1.00 55.51 C ATOM 196 CG TYR A1066 6.235 -17.297 7.802 1.00 42.34 C ATOM 197 CD1 TYR A1066 6.343 -16.141 8.566 1.00 51.00 C ATOM 198 CD2 TYR A1066 7.262 -18.229 7.876 1.00 31.41 C ATOM 199 CE1 TYR A1066 7.440 -15.921 9.375 1.00 4.15 C ATOM 200 CE2 TYR A1066 8.362 -18.018 8.684 1.00 62.53 C ATOM 201 CZ TYR A1066 8.447 -16.862 9.432 1.00 31.32 C ATOM 202 OH TYR A1066 9.541 -16.647 10.239 1.00 50.15 O ATOM 0 H TYR A1066 3.719 -16.028 8.357 1.00 12.15 H new ATOM 0 HA TYR A1066 3.031 -18.318 6.963 1.00 23.45 H new ATOM 0 HB2 TYR A1066 5.290 -18.275 6.160 1.00 55.51 H new ATOM 0 HB3 TYR A1066 4.793 -16.611 6.389 1.00 55.51 H new ATOM 0 HD1 TYR A1066 5.556 -15.403 8.526 1.00 51.00 H new ATOM 0 HD2 TYR A1066 7.199 -19.135 7.291 1.00 31.41 H new ATOM 0 HE1 TYR A1066 7.509 -15.016 9.961 1.00 4.15 H new ATOM 0 HE2 TYR A1066 9.151 -18.754 8.730 1.00 62.53 H new ATOM 0 HH TYR A1066 10.156 -17.406 10.165 1.00 50.15 H new ATOM 212 N LEU A1067 4.414 -18.941 9.829 1.00 61.44 N ATOM 213 CA LEU A1067 4.768 -19.996 10.772 1.00 1.12 C ATOM 214 C LEU A1067 3.528 -20.761 11.225 1.00 73.13 C ATOM 215 O LEU A1067 3.550 -21.986 11.342 1.00 63.34 O ATOM 216 CB LEU A1067 5.485 -19.401 11.986 1.00 33.43 C ATOM 217 CG LEU A1067 6.681 -18.498 11.683 1.00 15.24 C ATOM 218 CD1 LEU A1067 6.807 -17.409 12.737 1.00 52.42 C ATOM 219 CD2 LEU A1067 7.961 -19.317 11.603 1.00 43.10 C ATOM 0 H LEU A1067 4.388 -18.005 10.233 1.00 61.44 H new ATOM 0 HA LEU A1067 5.437 -20.692 10.266 1.00 1.12 H new ATOM 0 HB2 LEU A1067 4.761 -18.829 12.566 1.00 33.43 H new ATOM 0 HB3 LEU A1067 5.825 -20.220 12.620 1.00 33.43 H new ATOM 0 HG LEU A1067 6.518 -18.022 10.716 1.00 15.24 H new ATOM 0 HD11 LEU A1067 7.663 -16.776 12.505 1.00 52.42 H new ATOM 0 HD12 LEU A1067 5.900 -16.804 12.745 1.00 52.42 H new ATOM 0 HD13 LEU A1067 6.948 -17.865 13.717 1.00 52.42 H new ATOM 0 HD21 LEU A1067 8.802 -18.658 11.387 1.00 43.10 H new ATOM 0 HD22 LEU A1067 8.131 -19.821 12.554 1.00 43.10 H new ATOM 0 HD23 LEU A1067 7.869 -20.060 10.810 1.00 43.10 H new ATOM 231 N TYR A1068 2.447 -20.030 11.475 1.00 54.13 N ATOM 232 CA TYR A1068 1.198 -20.640 11.914 1.00 74.20 C ATOM 233 C TYR A1068 0.563 -21.454 10.789 1.00 43.10 C ATOM 234 O TYR A1068 -0.019 -22.511 11.025 1.00 14.05 O ATOM 235 CB TYR A1068 0.221 -19.564 12.391 1.00 1.53 C ATOM 236 CG TYR A1068 -1.024 -19.455 11.542 1.00 13.24 C ATOM 237 CD1 TYR A1068 -2.082 -20.341 11.709 1.00 72.42 C ATOM 238 CD2 TYR A1068 -1.145 -18.467 10.573 1.00 45.43 C ATOM 239 CE1 TYR A1068 -3.222 -20.246 10.934 1.00 55.24 C ATOM 240 CE2 TYR A1068 -2.282 -18.363 9.795 1.00 64.23 C ATOM 241 CZ TYR A1068 -3.317 -19.255 9.978 1.00 3.11 C ATOM 242 OH TYR A1068 -4.452 -19.156 9.206 1.00 23.11 O ATOM 0 H TYR A1068 2.411 -19.015 11.381 1.00 54.13 H new ATOM 0 HA TYR A1068 1.424 -21.312 12.742 1.00 74.20 H new ATOM 0 HB2 TYR A1068 -0.069 -19.779 13.419 1.00 1.53 H new ATOM 0 HB3 TYR A1068 0.731 -18.600 12.398 1.00 1.53 H new ATOM 0 HD1 TYR A1068 -2.012 -21.117 12.457 1.00 72.42 H new ATOM 0 HD2 TYR A1068 -0.336 -17.767 10.425 1.00 45.43 H new ATOM 0 HE1 TYR A1068 -4.034 -20.943 11.076 1.00 55.24 H new ATOM 0 HE2 TYR A1068 -2.359 -17.587 9.048 1.00 64.23 H new ATOM 0 HH TYR A1068 -4.359 -18.405 8.583 1.00 23.11 H new ATOM 252 N VAL A1069 0.683 -20.952 9.564 1.00 61.23 N ATOM 253 CA VAL A1069 0.124 -21.632 8.401 1.00 45.23 C ATOM 254 C VAL A1069 0.941 -22.869 8.043 1.00 54.31 C ATOM 255 O VAL A1069 0.399 -23.867 7.567 1.00 54.34 O ATOM 256 CB VAL A1069 0.067 -20.696 7.179 1.00 64.54 C ATOM 257 CG1 VAL A1069 1.470 -20.346 6.708 1.00 42.14 C ATOM 258 CG2 VAL A1069 -0.736 -21.336 6.056 1.00 15.32 C ATOM 0 H VAL A1069 1.162 -20.077 9.351 1.00 61.23 H new ATOM 0 HA VAL A1069 -0.889 -21.934 8.666 1.00 45.23 H new ATOM 0 HB VAL A1069 -0.432 -19.773 7.473 1.00 64.54 H new ATOM 0 HG11 VAL A1069 1.409 -19.684 5.844 1.00 42.14 H new ATOM 0 HG12 VAL A1069 2.009 -19.845 7.512 1.00 42.14 H new ATOM 0 HG13 VAL A1069 1.999 -21.258 6.430 1.00 42.14 H new ATOM 0 HG21 VAL A1069 -0.766 -20.661 5.200 1.00 15.32 H new ATOM 0 HG22 VAL A1069 -0.266 -22.274 5.762 1.00 15.32 H new ATOM 0 HG23 VAL A1069 -1.752 -21.531 6.400 1.00 15.32 H new ATOM 268 N LEU A1070 2.247 -22.796 8.276 1.00 14.34 N ATOM 269 CA LEU A1070 3.139 -23.911 7.978 1.00 23.44 C ATOM 270 C LEU A1070 2.990 -25.020 9.015 1.00 15.52 C ATOM 271 O LEU A1070 3.081 -26.204 8.691 1.00 52.31 O ATOM 272 CB LEU A1070 4.590 -23.431 7.934 1.00 4.31 C ATOM 273 CG LEU A1070 5.590 -24.375 7.267 1.00 72.33 C ATOM 274 CD1 LEU A1070 5.481 -24.285 5.752 1.00 42.22 C ATOM 275 CD2 LEU A1070 7.008 -24.059 7.720 1.00 22.03 C ATOM 0 H LEU A1070 2.711 -21.978 8.670 1.00 14.34 H new ATOM 0 HA LEU A1070 2.865 -24.312 7.002 1.00 23.44 H new ATOM 0 HB2 LEU A1070 4.619 -22.475 7.411 1.00 4.31 H new ATOM 0 HB3 LEU A1070 4.921 -23.246 8.956 1.00 4.31 H new ATOM 0 HG LEU A1070 5.353 -25.395 7.569 1.00 72.33 H new ATOM 0 HD11 LEU A1070 6.201 -24.964 5.294 1.00 42.22 H new ATOM 0 HD12 LEU A1070 4.473 -24.562 5.443 1.00 42.22 H new ATOM 0 HD13 LEU A1070 5.691 -23.264 5.432 1.00 42.22 H new ATOM 0 HD21 LEU A1070 7.706 -24.741 7.235 1.00 22.03 H new ATOM 0 HD22 LEU A1070 7.256 -23.033 7.449 1.00 22.03 H new ATOM 0 HD23 LEU A1070 7.079 -24.176 8.801 1.00 22.03 H new ATOM 287 N SER A1071 2.758 -24.628 10.264 1.00 33.44 N ATOM 288 CA SER A1071 2.597 -25.588 11.349 1.00 34.24 C ATOM 289 C SER A1071 1.246 -26.293 11.256 1.00 63.45 C ATOM 290 O SER A1071 1.101 -27.438 11.681 1.00 3.43 O ATOM 291 CB SER A1071 2.726 -24.888 12.703 1.00 41.24 C ATOM 292 OG SER A1071 2.015 -25.587 13.710 1.00 63.14 O ATOM 0 H SER A1071 2.677 -23.652 10.549 1.00 33.44 H new ATOM 0 HA SER A1071 3.385 -26.335 11.258 1.00 34.24 H new ATOM 0 HB2 SER A1071 3.778 -24.816 12.980 1.00 41.24 H new ATOM 0 HB3 SER A1071 2.346 -23.869 12.626 1.00 41.24 H new ATOM 0 HG SER A1071 2.115 -25.120 14.565 1.00 63.14 H new ATOM 298 N GLY A1072 0.262 -25.599 10.694 1.00 55.41 N ATOM 299 CA GLY A1072 -1.064 -26.173 10.554 1.00 42.11 C ATOM 300 C GLY A1072 -1.140 -27.188 9.432 1.00 74.33 C ATOM 301 O GLY A1072 -1.799 -28.221 9.563 1.00 23.20 O ATOM 0 H GLY A1072 0.359 -24.650 10.333 1.00 55.41 H new ATOM 0 HA2 GLY A1072 -1.351 -26.650 11.491 1.00 42.11 H new ATOM 0 HA3 GLY A1072 -1.784 -25.376 10.368 1.00 42.11 H new ATOM 305 N ILE A1073 -0.467 -26.896 8.324 1.00 13.03 N ATOM 306 CA ILE A1073 -0.462 -27.791 7.174 1.00 13.23 C ATOM 307 C ILE A1073 0.398 -29.022 7.439 1.00 61.20 C ATOM 308 O ILE A1073 0.118 -30.109 6.936 1.00 51.22 O ATOM 309 CB ILE A1073 0.053 -27.081 5.909 1.00 20.00 C ATOM 310 CG1 ILE A1073 1.540 -26.753 6.053 1.00 65.33 C ATOM 311 CG2 ILE A1073 -0.751 -25.816 5.647 1.00 61.44 C ATOM 312 CD1 ILE A1073 2.127 -26.064 4.840 1.00 2.03 C ATOM 0 H ILE A1073 0.082 -26.046 8.199 1.00 13.03 H new ATOM 0 HA ILE A1073 -1.494 -28.100 7.011 1.00 13.23 H new ATOM 0 HB ILE A1073 -0.072 -27.750 5.058 1.00 20.00 H new ATOM 0 HG12 ILE A1073 1.680 -26.116 6.926 1.00 65.33 H new ATOM 0 HG13 ILE A1073 2.091 -27.675 6.239 1.00 65.33 H new ATOM 0 HG21 ILE A1073 -0.375 -25.325 4.749 1.00 61.44 H new ATOM 0 HG22 ILE A1073 -1.801 -26.075 5.507 1.00 61.44 H new ATOM 0 HG23 ILE A1073 -0.654 -25.141 6.497 1.00 61.44 H new ATOM 0 HD11 ILE A1073 3.184 -25.862 5.012 1.00 2.03 H new ATOM 0 HD12 ILE A1073 2.018 -26.708 3.968 1.00 2.03 H new ATOM 0 HD13 ILE A1073 1.602 -25.125 4.665 1.00 2.03 H new ATOM 324 N GLY A1074 1.448 -28.843 8.235 1.00 21.05 N ATOM 325 CA GLY A1074 2.333 -29.948 8.556 1.00 72.12 C ATOM 326 C GLY A1074 1.720 -30.911 9.554 1.00 61.34 C ATOM 327 O GLY A1074 1.983 -32.112 9.508 1.00 14.12 O ATOM 0 H GLY A1074 1.702 -27.953 8.663 1.00 21.05 H new ATOM 0 HA2 GLY A1074 2.583 -30.487 7.642 1.00 72.12 H new ATOM 0 HA3 GLY A1074 3.266 -29.556 8.960 1.00 72.12 H new ATOM 331 N GLY A1075 0.903 -30.382 10.459 1.00 33.14 N ATOM 332 CA GLY A1075 0.266 -31.217 11.460 1.00 2.04 C ATOM 333 C GLY A1075 -0.882 -32.029 10.894 1.00 71.11 C ATOM 334 O GLY A1075 -1.143 -33.146 11.343 1.00 64.43 O ATOM 0 H GLY A1075 0.671 -29.390 10.517 1.00 33.14 H new ATOM 0 HA2 GLY A1075 1.006 -31.891 11.890 1.00 2.04 H new ATOM 0 HA3 GLY A1075 -0.103 -30.589 12.271 1.00 2.04 H new ATOM 338 N LEU A1076 -1.571 -31.467 9.908 1.00 33.44 N ATOM 339 CA LEU A1076 -2.699 -32.145 9.280 1.00 75.42 C ATOM 340 C LEU A1076 -2.221 -33.287 8.388 1.00 10.01 C ATOM 341 O LEU A1076 -2.829 -34.359 8.353 1.00 63.25 O ATOM 342 CB LEU A1076 -3.523 -31.153 8.458 1.00 74.14 C ATOM 343 CG LEU A1076 -4.780 -30.602 9.133 1.00 25.00 C ATOM 344 CD1 LEU A1076 -4.429 -29.956 10.464 1.00 5.42 C ATOM 345 CD2 LEU A1076 -5.481 -29.605 8.223 1.00 42.21 C ATOM 0 H LEU A1076 -1.368 -30.543 9.526 1.00 33.44 H new ATOM 0 HA LEU A1076 -3.325 -32.562 10.069 1.00 75.42 H new ATOM 0 HB2 LEU A1076 -2.882 -30.314 8.189 1.00 74.14 H new ATOM 0 HB3 LEU A1076 -3.818 -31.639 7.528 1.00 74.14 H new ATOM 0 HG LEU A1076 -5.462 -31.431 9.322 1.00 25.00 H new ATOM 0 HD11 LEU A1076 -5.335 -29.569 10.931 1.00 5.42 H new ATOM 0 HD12 LEU A1076 -3.971 -30.698 11.119 1.00 5.42 H new ATOM 0 HD13 LEU A1076 -3.729 -29.137 10.298 1.00 5.42 H new ATOM 0 HD21 LEU A1076 -6.373 -29.224 8.720 1.00 42.21 H new ATOM 0 HD22 LEU A1076 -4.807 -28.777 8.002 1.00 42.21 H new ATOM 0 HD23 LEU A1076 -5.766 -30.098 7.294 1.00 42.21 H new ATOM 357 N LEU A1077 -1.127 -33.053 7.671 1.00 12.44 N ATOM 358 CA LEU A1077 -0.565 -34.062 6.782 1.00 73.44 C ATOM 359 C LEU A1077 0.030 -35.219 7.577 1.00 22.32 C ATOM 360 O LEU A1077 -0.061 -36.378 7.170 1.00 23.55 O ATOM 361 CB LEU A1077 0.507 -33.441 5.884 1.00 44.52 C ATOM 362 CG LEU A1077 0.004 -32.757 4.612 1.00 3.24 C ATOM 363 CD1 LEU A1077 0.991 -31.696 4.151 1.00 71.42 C ATOM 364 CD2 LEU A1077 -0.231 -33.783 3.513 1.00 13.52 C ATOM 0 H LEU A1077 -0.612 -32.173 7.689 1.00 12.44 H new ATOM 0 HA LEU A1077 -1.371 -34.450 6.160 1.00 73.44 H new ATOM 0 HB2 LEU A1077 1.064 -32.710 6.470 1.00 44.52 H new ATOM 0 HB3 LEU A1077 1.210 -34.223 5.598 1.00 44.52 H new ATOM 0 HG LEU A1077 -0.945 -32.269 4.835 1.00 3.24 H new ATOM 0 HD11 LEU A1077 0.617 -31.220 3.245 1.00 71.42 H new ATOM 0 HD12 LEU A1077 1.110 -30.946 4.933 1.00 71.42 H new ATOM 0 HD13 LEU A1077 1.955 -32.161 3.945 1.00 71.42 H new ATOM 0 HD21 LEU A1077 -0.589 -33.279 2.615 1.00 13.52 H new ATOM 0 HD22 LEU A1077 0.703 -34.299 3.292 1.00 13.52 H new ATOM 0 HD23 LEU A1077 -0.976 -34.507 3.844 1.00 13.52 H new ATOM 376 N LEU A1078 0.638 -34.897 8.713 1.00 15.13 N ATOM 377 CA LEU A1078 1.247 -35.910 9.569 1.00 31.30 C ATOM 378 C LEU A1078 0.180 -36.701 10.320 1.00 52.21 C ATOM 379 O LEU A1078 0.398 -37.852 10.699 1.00 33.44 O ATOM 380 CB LEU A1078 2.207 -35.256 10.563 1.00 41.05 C ATOM 381 CG LEU A1078 3.689 -35.296 10.190 1.00 24.55 C ATOM 382 CD1 LEU A1078 3.908 -34.708 8.805 1.00 51.22 C ATOM 383 CD2 LEU A1078 4.521 -34.553 11.226 1.00 75.44 C ATOM 0 H LEU A1078 0.723 -33.943 9.063 1.00 15.13 H new ATOM 0 HA LEU A1078 1.805 -36.599 8.935 1.00 31.30 H new ATOM 0 HB2 LEU A1078 1.913 -34.214 10.690 1.00 41.05 H new ATOM 0 HB3 LEU A1078 2.083 -35.742 11.531 1.00 41.05 H new ATOM 0 HG LEU A1078 4.011 -36.337 10.174 1.00 24.55 H new ATOM 0 HD11 LEU A1078 4.969 -34.745 8.557 1.00 51.22 H new ATOM 0 HD12 LEU A1078 3.344 -35.284 8.072 1.00 51.22 H new ATOM 0 HD13 LEU A1078 3.569 -33.672 8.792 1.00 51.22 H new ATOM 0 HD21 LEU A1078 5.573 -34.592 10.944 1.00 75.44 H new ATOM 0 HD22 LEU A1078 4.197 -33.513 11.275 1.00 75.44 H new ATOM 0 HD23 LEU A1078 4.389 -35.021 12.202 1.00 75.44 H new ATOM 395 N LEU A1079 -0.973 -36.077 10.531 1.00 42.52 N ATOM 396 CA LEU A1079 -2.076 -36.722 11.236 1.00 62.32 C ATOM 397 C LEU A1079 -2.758 -37.756 10.346 1.00 20.43 C ATOM 398 O LEU A1079 -3.153 -38.826 10.811 1.00 13.34 O ATOM 399 CB LEU A1079 -3.094 -35.678 11.697 1.00 62.04 C ATOM 400 CG LEU A1079 -4.145 -36.162 12.696 1.00 40.42 C ATOM 401 CD1 LEU A1079 -4.674 -34.997 13.519 1.00 23.14 C ATOM 402 CD2 LEU A1079 -5.284 -36.866 11.973 1.00 43.02 C ATOM 0 H LEU A1079 -1.169 -35.124 10.224 1.00 42.52 H new ATOM 0 HA LEU A1079 -1.669 -37.232 12.109 1.00 62.32 H new ATOM 0 HB2 LEU A1079 -2.553 -34.845 12.145 1.00 62.04 H new ATOM 0 HB3 LEU A1079 -3.609 -35.289 10.819 1.00 62.04 H new ATOM 0 HG LEU A1079 -3.675 -36.875 13.373 1.00 40.42 H new ATOM 0 HD11 LEU A1079 -5.421 -35.360 14.225 1.00 23.14 H new ATOM 0 HD12 LEU A1079 -3.852 -34.535 14.066 1.00 23.14 H new ATOM 0 HD13 LEU A1079 -5.128 -34.260 12.857 1.00 23.14 H new ATOM 0 HD21 LEU A1079 -6.023 -37.204 12.700 1.00 43.02 H new ATOM 0 HD22 LEU A1079 -5.753 -36.175 11.273 1.00 43.02 H new ATOM 0 HD23 LEU A1079 -4.893 -37.725 11.427 1.00 43.02 H new ATOM 414 N LEU A1080 -2.891 -37.432 9.065 1.00 24.23 N ATOM 415 CA LEU A1080 -3.523 -38.335 8.109 1.00 55.32 C ATOM 416 C LEU A1080 -2.613 -39.517 7.792 1.00 73.23 C ATOM 417 O LEU A1080 -3.078 -40.645 7.629 1.00 33.31 O ATOM 418 CB LEU A1080 -3.870 -37.583 6.823 1.00 34.30 C ATOM 419 CG LEU A1080 -5.078 -36.648 6.896 1.00 33.11 C ATOM 420 CD1 LEU A1080 -5.088 -35.695 5.711 1.00 13.22 C ATOM 421 CD2 LEU A1080 -6.371 -37.450 6.949 1.00 23.33 C ATOM 0 H LEU A1080 -2.570 -36.551 8.664 1.00 24.23 H new ATOM 0 HA LEU A1080 -4.439 -38.718 8.558 1.00 55.32 H new ATOM 0 HB2 LEU A1080 -3.001 -36.998 6.522 1.00 34.30 H new ATOM 0 HB3 LEU A1080 -4.050 -38.315 6.035 1.00 34.30 H new ATOM 0 HG LEU A1080 -5.002 -36.058 7.809 1.00 33.11 H new ATOM 0 HD11 LEU A1080 -5.955 -35.038 5.780 1.00 13.22 H new ATOM 0 HD12 LEU A1080 -4.177 -35.096 5.718 1.00 13.22 H new ATOM 0 HD13 LEU A1080 -5.139 -36.267 4.785 1.00 13.22 H new ATOM 0 HD21 LEU A1080 -7.220 -36.768 7.001 1.00 23.33 H new ATOM 0 HD22 LEU A1080 -6.454 -38.066 6.054 1.00 23.33 H new ATOM 0 HD23 LEU A1080 -6.366 -38.091 7.831 1.00 23.33 H new ATOM 433 N LEU A1081 -1.315 -39.251 7.707 1.00 24.13 N ATOM 434 CA LEU A1081 -0.339 -40.294 7.412 1.00 65.32 C ATOM 435 C LEU A1081 -0.097 -41.176 8.633 1.00 75.11 C ATOM 436 O LEU A1081 0.118 -42.382 8.506 1.00 65.02 O ATOM 437 CB LEU A1081 0.980 -39.670 6.952 1.00 44.05 C ATOM 438 CG LEU A1081 2.079 -39.566 8.011 1.00 62.51 C ATOM 439 CD1 LEU A1081 2.811 -40.893 8.151 1.00 14.01 C ATOM 440 CD2 LEU A1081 3.055 -38.453 7.660 1.00 1.43 C ATOM 0 H LEU A1081 -0.914 -38.322 7.838 1.00 24.13 H new ATOM 0 HA LEU A1081 -0.740 -40.915 6.611 1.00 65.32 H new ATOM 0 HB2 LEU A1081 1.363 -40.255 6.116 1.00 44.05 H new ATOM 0 HB3 LEU A1081 0.773 -38.669 6.573 1.00 44.05 H new ATOM 0 HG LEU A1081 1.614 -39.326 8.967 1.00 62.51 H new ATOM 0 HD11 LEU A1081 3.589 -40.801 8.908 1.00 14.01 H new ATOM 0 HD12 LEU A1081 2.105 -41.668 8.448 1.00 14.01 H new ATOM 0 HD13 LEU A1081 3.264 -41.161 7.196 1.00 14.01 H new ATOM 0 HD21 LEU A1081 3.830 -38.394 8.425 1.00 1.43 H new ATOM 0 HD22 LEU A1081 3.514 -38.663 6.694 1.00 1.43 H new ATOM 0 HD23 LEU A1081 2.522 -37.504 7.610 1.00 1.43 H new ATOM 452 N ILE A1082 -0.138 -40.568 9.814 1.00 53.23 N ATOM 453 CA ILE A1082 0.072 -41.299 11.056 1.00 25.01 C ATOM 454 C ILE A1082 -1.087 -42.250 11.338 1.00 43.12 C ATOM 455 O ILE A1082 -0.887 -43.359 11.833 1.00 33.20 O ATOM 456 CB ILE A1082 0.237 -40.343 12.252 1.00 45.23 C ATOM 457 CG1 ILE A1082 1.679 -39.834 12.330 1.00 22.12 C ATOM 458 CG2 ILE A1082 -0.156 -41.038 13.546 1.00 41.11 C ATOM 459 CD1 ILE A1082 1.824 -38.548 13.113 1.00 44.15 C ATOM 0 H ILE A1082 -0.315 -39.571 9.936 1.00 53.23 H new ATOM 0 HA ILE A1082 0.990 -41.874 10.931 1.00 25.01 H new ATOM 0 HB ILE A1082 -0.424 -39.488 12.108 1.00 45.23 H new ATOM 0 HG12 ILE A1082 2.302 -40.602 12.789 1.00 22.12 H new ATOM 0 HG13 ILE A1082 2.056 -39.679 11.319 1.00 22.12 H new ATOM 0 HG21 ILE A1082 -0.033 -40.348 14.381 1.00 41.11 H new ATOM 0 HG22 ILE A1082 -1.197 -41.355 13.487 1.00 41.11 H new ATOM 0 HG23 ILE A1082 0.481 -41.910 13.699 1.00 41.11 H new ATOM 0 HD11 ILE A1082 2.871 -38.247 13.127 1.00 44.15 H new ATOM 0 HD12 ILE A1082 1.228 -37.766 12.642 1.00 44.15 H new ATOM 0 HD13 ILE A1082 1.478 -38.703 14.135 1.00 44.15 H new ATOM 471 N PHE A1083 -2.299 -41.808 11.016 1.00 24.22 N ATOM 472 CA PHE A1083 -3.490 -42.620 11.234 1.00 32.11 C ATOM 473 C PHE A1083 -3.529 -43.798 10.265 1.00 32.41 C ATOM 474 O PHE A1083 -3.937 -44.902 10.630 1.00 40.12 O ATOM 475 CB PHE A1083 -4.750 -41.768 11.069 1.00 3.33 C ATOM 476 CG PHE A1083 -5.162 -41.056 12.327 1.00 32.31 C ATOM 477 CD1 PHE A1083 -4.228 -40.370 13.087 1.00 74.30 C ATOM 478 CD2 PHE A1083 -6.482 -41.074 12.748 1.00 42.32 C ATOM 479 CE1 PHE A1083 -4.604 -39.716 14.245 1.00 51.20 C ATOM 480 CE2 PHE A1083 -6.863 -40.421 13.905 1.00 51.30 C ATOM 481 CZ PHE A1083 -5.924 -39.740 14.653 1.00 4.13 C ATOM 0 H PHE A1083 -2.481 -40.893 10.604 1.00 24.22 H new ATOM 0 HA PHE A1083 -3.453 -43.010 12.251 1.00 32.11 H new ATOM 0 HB2 PHE A1083 -4.581 -41.032 10.283 1.00 3.33 H new ATOM 0 HB3 PHE A1083 -5.569 -42.406 10.737 1.00 3.33 H new ATOM 0 HD1 PHE A1083 -3.196 -40.346 12.771 1.00 74.30 H new ATOM 0 HD2 PHE A1083 -7.221 -41.604 12.166 1.00 42.32 H new ATOM 0 HE1 PHE A1083 -3.867 -39.187 14.830 1.00 51.20 H new ATOM 0 HE2 PHE A1083 -7.895 -40.444 14.224 1.00 51.30 H new ATOM 0 HZ PHE A1083 -6.220 -39.227 15.556 1.00 4.13 H new ATOM 491 N ILE A1084 -3.103 -43.555 9.030 1.00 34.13 N ATOM 492 CA ILE A1084 -3.090 -44.596 8.009 1.00 21.34 C ATOM 493 C ILE A1084 -1.906 -45.539 8.202 1.00 74.04 C ATOM 494 O ILE A1084 -1.969 -46.714 7.838 1.00 2.11 O ATOM 495 CB ILE A1084 -3.027 -43.995 6.593 1.00 51.12 C ATOM 496 CG1 ILE A1084 -4.282 -43.165 6.312 1.00 31.35 C ATOM 497 CG2 ILE A1084 -2.870 -45.097 5.555 1.00 5.34 C ATOM 498 CD1 ILE A1084 -4.233 -42.424 4.995 1.00 40.44 C ATOM 0 H ILE A1084 -2.763 -42.647 8.712 1.00 34.13 H new ATOM 0 HA ILE A1084 -4.019 -45.155 8.116 1.00 21.34 H new ATOM 0 HB ILE A1084 -2.159 -43.339 6.531 1.00 51.12 H new ATOM 0 HG12 ILE A1084 -5.151 -43.822 6.318 1.00 31.35 H new ATOM 0 HG13 ILE A1084 -4.421 -42.446 7.119 1.00 31.35 H new ATOM 0 HG21 ILE A1084 -2.827 -44.656 4.559 1.00 5.34 H new ATOM 0 HG22 ILE A1084 -1.950 -45.649 5.747 1.00 5.34 H new ATOM 0 HG23 ILE A1084 -3.720 -45.776 5.614 1.00 5.34 H new ATOM 0 HD11 ILE A1084 -5.155 -41.857 4.862 1.00 40.44 H new ATOM 0 HD12 ILE A1084 -3.383 -41.741 4.993 1.00 40.44 H new ATOM 0 HD13 ILE A1084 -4.126 -43.139 4.179 1.00 40.44 H new ATOM 510 N VAL A1085 -0.828 -45.016 8.778 1.00 31.45 N ATOM 511 CA VAL A1085 0.369 -45.813 9.022 1.00 43.32 C ATOM 512 C VAL A1085 0.136 -46.830 10.133 1.00 2.33 C ATOM 513 O VAL A1085 0.609 -47.965 10.060 1.00 13.11 O ATOM 514 CB VAL A1085 1.567 -44.922 9.400 1.00 61.13 C ATOM 515 CG1 VAL A1085 2.598 -45.718 10.187 1.00 42.14 C ATOM 516 CG2 VAL A1085 2.191 -44.311 8.154 1.00 53.03 C ATOM 0 H VAL A1085 -0.759 -44.045 9.084 1.00 31.45 H new ATOM 0 HA VAL A1085 0.594 -46.339 8.094 1.00 43.32 H new ATOM 0 HB VAL A1085 1.208 -44.111 10.034 1.00 61.13 H new ATOM 0 HG11 VAL A1085 3.437 -45.072 10.445 1.00 42.14 H new ATOM 0 HG12 VAL A1085 2.142 -46.102 11.099 1.00 42.14 H new ATOM 0 HG13 VAL A1085 2.955 -46.551 9.581 1.00 42.14 H new ATOM 0 HG21 VAL A1085 3.036 -43.685 8.440 1.00 53.03 H new ATOM 0 HG22 VAL A1085 2.536 -45.106 7.493 1.00 53.03 H new ATOM 0 HG23 VAL A1085 1.449 -43.704 7.635 1.00 53.03 H new ATOM 526 N LEU A1086 -0.596 -46.417 11.162 1.00 73.11 N ATOM 527 CA LEU A1086 -0.894 -47.293 12.290 1.00 50.20 C ATOM 528 C LEU A1086 -2.000 -48.280 11.935 1.00 33.42 C ATOM 529 O LEU A1086 -2.033 -49.400 12.445 1.00 12.03 O ATOM 530 CB LEU A1086 -1.305 -46.465 13.508 1.00 3.21 C ATOM 531 CG LEU A1086 -2.415 -45.439 13.280 1.00 52.30 C ATOM 532 CD1 LEU A1086 -3.781 -46.080 13.468 1.00 11.41 C ATOM 533 CD2 LEU A1086 -2.247 -44.252 14.218 1.00 3.14 C ATOM 0 H LEU A1086 -0.994 -45.481 11.239 1.00 73.11 H new ATOM 0 HA LEU A1086 0.008 -47.857 12.529 1.00 50.20 H new ATOM 0 HB2 LEU A1086 -1.625 -47.148 14.295 1.00 3.21 H new ATOM 0 HB3 LEU A1086 -0.424 -45.941 13.880 1.00 3.21 H new ATOM 0 HG LEU A1086 -2.344 -45.078 12.254 1.00 52.30 H new ATOM 0 HD11 LEU A1086 -4.559 -45.335 13.302 1.00 11.41 H new ATOM 0 HD12 LEU A1086 -3.902 -46.895 12.755 1.00 11.41 H new ATOM 0 HD13 LEU A1086 -3.863 -46.470 14.482 1.00 11.41 H new ATOM 0 HD21 LEU A1086 -3.046 -43.532 14.041 1.00 3.14 H new ATOM 0 HD22 LEU A1086 -2.291 -44.596 15.251 1.00 3.14 H new ATOM 0 HD23 LEU A1086 -1.283 -43.777 14.034 1.00 3.14 H new ATOM 545 N TYR A1087 -2.903 -47.859 11.057 1.00 42.40 N ATOM 546 CA TYR A1087 -4.011 -48.706 10.634 1.00 13.23 C ATOM 547 C TYR A1087 -3.561 -49.703 9.571 1.00 31.41 C ATOM 548 O TYR A1087 -4.237 -50.697 9.306 1.00 14.32 O ATOM 549 CB TYR A1087 -5.158 -47.851 10.093 1.00 51.14 C ATOM 550 CG TYR A1087 -5.726 -48.355 8.785 1.00 24.21 C ATOM 551 CD1 TYR A1087 -6.776 -49.264 8.765 1.00 11.12 C ATOM 552 CD2 TYR A1087 -5.211 -47.921 7.569 1.00 15.11 C ATOM 553 CE1 TYR A1087 -7.296 -49.729 7.573 1.00 53.42 C ATOM 554 CE2 TYR A1087 -5.728 -48.379 6.372 1.00 42.05 C ATOM 555 CZ TYR A1087 -6.770 -49.283 6.378 1.00 5.32 C ATOM 556 OH TYR A1087 -7.286 -49.742 5.189 1.00 32.11 O ATOM 0 H TYR A1087 -2.889 -46.936 10.624 1.00 42.40 H new ATOM 0 HA TYR A1087 -4.360 -49.262 11.504 1.00 13.23 H new ATOM 0 HB2 TYR A1087 -5.955 -47.816 10.836 1.00 51.14 H new ATOM 0 HB3 TYR A1087 -4.805 -46.829 9.956 1.00 51.14 H new ATOM 0 HD1 TYR A1087 -7.193 -49.613 9.698 1.00 11.12 H new ATOM 0 HD2 TYR A1087 -4.394 -47.215 7.560 1.00 15.11 H new ATOM 0 HE1 TYR A1087 -8.110 -50.438 7.576 1.00 53.42 H new ATOM 0 HE2 TYR A1087 -5.318 -48.031 5.436 1.00 42.05 H new ATOM 0 HH TYR A1087 -6.804 -49.329 4.442 1.00 32.11 H new ATOM 566 N LYS A1088 -2.410 -49.430 8.963 1.00 14.24 N ATOM 567 CA LYS A1088 -1.865 -50.301 7.929 1.00 10.35 C ATOM 568 C LYS A1088 -0.894 -51.314 8.528 1.00 4.04 C ATOM 569 O LYS A1088 -0.695 -52.397 7.980 1.00 34.42 O ATOM 570 CB LYS A1088 -1.156 -49.472 6.856 1.00 5.34 C ATOM 571 CG LYS A1088 -2.082 -48.980 5.758 1.00 70.54 C ATOM 572 CD LYS A1088 -1.335 -48.144 4.732 1.00 34.10 C ATOM 573 CE LYS A1088 -2.003 -48.210 3.366 1.00 1.14 C ATOM 574 NZ LYS A1088 -3.447 -47.856 3.439 1.00 35.54 N ATOM 0 H LYS A1088 -1.837 -48.612 9.169 1.00 14.24 H new ATOM 0 HA LYS A1088 -2.693 -50.843 7.472 1.00 10.35 H new ATOM 0 HB2 LYS A1088 -0.678 -48.614 7.328 1.00 5.34 H new ATOM 0 HB3 LYS A1088 -0.363 -50.072 6.410 1.00 5.34 H new ATOM 0 HG2 LYS A1088 -2.548 -49.833 5.264 1.00 70.54 H new ATOM 0 HG3 LYS A1088 -2.885 -48.388 6.196 1.00 70.54 H new ATOM 0 HD2 LYS A1088 -1.292 -47.108 5.067 1.00 34.10 H new ATOM 0 HD3 LYS A1088 -0.307 -48.497 4.653 1.00 34.10 H new ATOM 0 HE2 LYS A1088 -1.496 -47.531 2.681 1.00 1.14 H new ATOM 0 HE3 LYS A1088 -1.895 -49.215 2.957 1.00 1.14 H new ATOM 0 HZ1 LYS A1088 -3.874 -47.945 2.495 1.00 35.54 H new ATOM 0 HZ2 LYS A1088 -3.929 -48.499 4.100 1.00 35.54 H new ATOM 0 HZ3 LYS A1088 -3.548 -46.876 3.773 1.00 35.54 H new ATOM 588 N VAL A1089 -0.293 -50.954 9.658 1.00 32.34 N ATOM 589 CA VAL A1089 0.655 -51.833 10.333 1.00 41.31 C ATOM 590 C VAL A1089 -0.063 -52.818 11.247 1.00 12.33 C ATOM 591 O VAL A1089 0.446 -53.900 11.534 1.00 42.00 O ATOM 592 CB VAL A1089 1.673 -51.028 11.163 1.00 10.21 C ATOM 593 CG1 VAL A1089 2.491 -50.112 10.264 1.00 20.41 C ATOM 594 CG2 VAL A1089 0.964 -50.229 12.247 1.00 71.34 C ATOM 0 H VAL A1089 -0.446 -50.060 10.125 1.00 32.34 H new ATOM 0 HA VAL A1089 1.185 -52.384 9.556 1.00 41.31 H new ATOM 0 HB VAL A1089 2.355 -51.728 11.646 1.00 10.21 H new ATOM 0 HG11 VAL A1089 3.204 -49.552 10.868 1.00 20.41 H new ATOM 0 HG12 VAL A1089 3.029 -50.710 9.528 1.00 20.41 H new ATOM 0 HG13 VAL A1089 1.826 -49.417 9.751 1.00 20.41 H new ATOM 0 HG21 VAL A1089 1.698 -49.666 12.824 1.00 71.34 H new ATOM 0 HG22 VAL A1089 0.258 -49.538 11.787 1.00 71.34 H new ATOM 0 HG23 VAL A1089 0.427 -50.909 12.908 1.00 71.34 H new ATOM 604 N GLY A1090 -1.253 -52.436 11.703 1.00 43.25 N ATOM 605 CA GLY A1090 -2.024 -53.297 12.580 1.00 5.41 C ATOM 606 C GLY A1090 -2.254 -52.677 13.945 1.00 73.02 C ATOM 607 O GLY A1090 -1.949 -53.286 14.970 1.00 4.11 O ATOM 0 H GLY A1090 -1.696 -51.545 11.480 1.00 43.25 H new ATOM 0 HA2 GLY A1090 -2.986 -53.515 12.116 1.00 5.41 H new ATOM 0 HA3 GLY A1090 -1.505 -54.248 12.699 1.00 5.41 H new ATOM 611 N PHE A1091 -2.793 -51.463 13.959 1.00 60.43 N ATOM 612 CA PHE A1091 -3.062 -50.759 15.207 1.00 75.41 C ATOM 613 C PHE A1091 -4.535 -50.376 15.309 1.00 3.21 C ATOM 614 O PHE A1091 -5.189 -50.638 16.320 1.00 65.55 O ATOM 615 CB PHE A1091 -2.190 -49.506 15.309 1.00 24.13 C ATOM 616 CG PHE A1091 -1.729 -49.209 16.707 1.00 0.22 C ATOM 617 CD1 PHE A1091 -0.990 -50.140 17.420 1.00 41.40 C ATOM 618 CD2 PHE A1091 -2.035 -47.999 17.310 1.00 74.14 C ATOM 619 CE1 PHE A1091 -0.564 -49.869 18.707 1.00 20.44 C ATOM 620 CE2 PHE A1091 -1.612 -47.723 18.595 1.00 4.40 C ATOM 621 CZ PHE A1091 -0.877 -48.659 19.296 1.00 24.34 C ATOM 0 H PHE A1091 -3.052 -50.946 13.119 1.00 60.43 H new ATOM 0 HA PHE A1091 -2.821 -51.429 16.032 1.00 75.41 H new ATOM 0 HB2 PHE A1091 -1.319 -49.626 14.665 1.00 24.13 H new ATOM 0 HB3 PHE A1091 -2.750 -48.651 14.930 1.00 24.13 H new ATOM 0 HD1 PHE A1091 -0.744 -51.088 16.965 1.00 41.40 H new ATOM 0 HD2 PHE A1091 -2.611 -47.263 16.768 1.00 74.14 H new ATOM 0 HE1 PHE A1091 0.013 -50.602 19.251 1.00 20.44 H new ATOM 0 HE2 PHE A1091 -1.856 -46.775 19.052 1.00 4.40 H new ATOM 0 HZ PHE A1091 -0.548 -48.446 20.302 1.00 24.34 H new ATOM 631 N PHE A1092 -5.053 -49.754 14.255 1.00 4.54 N ATOM 632 CA PHE A1092 -6.449 -49.333 14.226 1.00 45.11 C ATOM 633 C PHE A1092 -7.272 -50.239 13.315 1.00 63.13 C ATOM 634 O PHE A1092 -8.019 -49.765 12.459 1.00 63.35 O ATOM 635 CB PHE A1092 -6.557 -47.882 13.752 1.00 64.22 C ATOM 636 CG PHE A1092 -6.454 -46.879 14.866 1.00 54.33 C ATOM 637 CD1 PHE A1092 -5.665 -47.135 15.976 1.00 43.54 C ATOM 638 CD2 PHE A1092 -7.147 -45.680 14.801 1.00 25.11 C ATOM 639 CE1 PHE A1092 -5.570 -46.213 17.002 1.00 74.24 C ATOM 640 CE2 PHE A1092 -7.055 -44.755 15.825 1.00 61.24 C ATOM 641 CZ PHE A1092 -6.265 -45.022 16.925 1.00 42.20 C ATOM 0 H PHE A1092 -4.527 -49.530 13.410 1.00 4.54 H new ATOM 0 HA PHE A1092 -6.845 -49.408 15.239 1.00 45.11 H new ATOM 0 HB2 PHE A1092 -5.770 -47.686 13.024 1.00 64.22 H new ATOM 0 HB3 PHE A1092 -7.508 -47.746 13.238 1.00 64.22 H new ATOM 0 HD1 PHE A1092 -5.119 -48.064 16.040 1.00 43.54 H new ATOM 0 HD2 PHE A1092 -7.765 -45.466 13.942 1.00 25.11 H new ATOM 0 HE1 PHE A1092 -4.953 -46.424 17.863 1.00 74.24 H new ATOM 0 HE2 PHE A1092 -7.601 -43.825 15.764 1.00 61.24 H new ATOM 0 HZ PHE A1092 -6.190 -44.300 17.725 1.00 42.20 H new ATOM 651 N LYS A1093 -7.128 -51.547 13.505 1.00 53.34 N ATOM 652 CA LYS A1093 -7.857 -52.521 12.702 1.00 4.33 C ATOM 653 C LYS A1093 -9.177 -52.895 13.367 1.00 32.32 C ATOM 654 O LYS A1093 -9.807 -53.889 13.003 1.00 44.13 O ATOM 655 CB LYS A1093 -7.006 -53.776 12.491 1.00 51.20 C ATOM 656 CG LYS A1093 -5.671 -53.501 11.822 1.00 52.41 C ATOM 657 CD LYS A1093 -5.593 -54.143 10.446 1.00 4.24 C ATOM 658 CE LYS A1093 -4.157 -54.226 9.951 1.00 60.20 C ATOM 659 NZ LYS A1093 -4.088 -54.595 8.510 1.00 1.34 N ATOM 0 H LYS A1093 -6.513 -51.956 14.208 1.00 53.34 H new ATOM 0 HA LYS A1093 -8.074 -52.069 11.734 1.00 4.33 H new ATOM 0 HB2 LYS A1093 -6.828 -54.250 13.456 1.00 51.20 H new ATOM 0 HB3 LYS A1093 -7.567 -54.487 11.885 1.00 51.20 H new ATOM 0 HG2 LYS A1093 -5.524 -52.425 11.731 1.00 52.41 H new ATOM 0 HG3 LYS A1093 -4.864 -53.882 12.448 1.00 52.41 H new ATOM 0 HD2 LYS A1093 -6.024 -55.143 10.485 1.00 4.24 H new ATOM 0 HD3 LYS A1093 -6.190 -53.566 9.740 1.00 4.24 H new ATOM 0 HE2 LYS A1093 -3.664 -53.266 10.104 1.00 60.20 H new ATOM 0 HE3 LYS A1093 -3.611 -54.962 10.541 1.00 60.20 H new ATOM 0 HZ1 LYS A1093 -3.093 -54.641 8.211 1.00 1.34 H new ATOM 0 HZ2 LYS A1093 -4.536 -55.523 8.367 1.00 1.34 H new ATOM 0 HZ3 LYS A1093 -4.587 -53.879 7.944 1.00 1.34 H new ATOM 673 N ARG A1094 -9.592 -52.093 14.342 1.00 61.01 N ATOM 674 CA ARG A1094 -10.838 -52.340 15.057 1.00 54.02 C ATOM 675 C ARG A1094 -11.929 -51.377 14.598 1.00 73.15 C ATOM 676 O ARG A1094 -13.116 -51.690 14.668 1.00 11.52 O ATOM 677 CB ARG A1094 -10.622 -52.201 16.565 1.00 41.34 C ATOM 678 CG ARG A1094 -11.779 -52.729 17.397 1.00 3.12 C ATOM 679 CD ARG A1094 -11.992 -54.218 17.172 1.00 11.21 C ATOM 680 NE ARG A1094 -10.777 -54.989 17.421 1.00 61.32 N ATOM 681 CZ ARG A1094 -10.605 -56.241 17.012 1.00 21.31 C ATOM 682 NH1 ARG A1094 -11.565 -56.860 16.339 1.00 71.23 N ATOM 683 NH2 ARG A1094 -9.471 -56.876 17.276 1.00 32.41 N ATOM 0 H ARG A1094 -9.083 -51.266 14.655 1.00 61.01 H new ATOM 0 HA ARG A1094 -11.159 -53.358 14.835 1.00 54.02 H new ATOM 0 HB2 ARG A1094 -9.712 -52.733 16.844 1.00 41.34 H new ATOM 0 HB3 ARG A1094 -10.463 -51.150 16.805 1.00 41.34 H new ATOM 0 HG2 ARG A1094 -11.584 -52.544 18.453 1.00 3.12 H new ATOM 0 HG3 ARG A1094 -12.690 -52.187 17.141 1.00 3.12 H new ATOM 0 HD2 ARG A1094 -12.787 -54.573 17.827 1.00 11.21 H new ATOM 0 HD3 ARG A1094 -12.324 -54.386 16.147 1.00 11.21 H new ATOM 0 HE ARG A1094 -10.019 -54.542 17.937 1.00 61.32 H new ATOM 0 HH11 ARG A1094 -12.438 -56.375 16.134 1.00 71.23 H new ATOM 0 HH12 ARG A1094 -11.430 -57.821 16.026 1.00 71.23 H new ATOM 0 HH21 ARG A1094 -8.730 -56.403 17.793 1.00 32.41 H new ATOM 0 HH22 ARG A1094 -9.340 -57.837 16.962 1.00 32.41 H new ATOM 697 N ASN A1095 -11.517 -50.205 14.126 1.00 63.31 N ATOM 698 CA ASN A1095 -12.458 -49.196 13.656 1.00 40.42 C ATOM 699 C ASN A1095 -12.401 -49.064 12.137 1.00 2.23 C ATOM 700 O ASN A1095 -11.450 -48.507 11.587 1.00 71.43 O ATOM 701 CB ASN A1095 -12.157 -47.845 14.308 1.00 12.42 C ATOM 702 CG ASN A1095 -12.664 -47.766 15.736 1.00 75.32 C ATOM 703 OD1 ASN A1095 -11.902 -47.940 16.687 1.00 52.30 O ATOM 704 ND2 ASN A1095 -13.956 -47.503 15.891 1.00 15.23 N ATOM 0 H ASN A1095 -10.537 -49.931 14.059 1.00 63.31 H new ATOM 0 HA ASN A1095 -13.462 -49.513 13.938 1.00 40.42 H new ATOM 0 HB2 ASN A1095 -11.081 -47.671 14.297 1.00 12.42 H new ATOM 0 HB3 ASN A1095 -12.614 -47.050 13.719 1.00 12.42 H new ATOM 0 HD21 ASN A1095 -14.354 -47.438 16.828 1.00 15.23 H new ATOM 0 HD22 ASN A1095 -14.550 -47.366 15.073 1.00 15.23 H new ATOM 711 N LEU A1096 -13.425 -49.578 11.465 1.00 31.23 N ATOM 712 CA LEU A1096 -13.492 -49.518 10.010 1.00 14.12 C ATOM 713 C LEU A1096 -14.201 -48.249 9.550 1.00 51.24 C ATOM 714 O LEU A1096 -15.125 -47.767 10.206 1.00 54.11 O ATOM 715 CB LEU A1096 -14.219 -50.748 9.462 1.00 32.20 C ATOM 716 CG LEU A1096 -14.232 -50.897 7.940 1.00 31.32 C ATOM 717 CD1 LEU A1096 -12.947 -51.553 7.457 1.00 5.31 C ATOM 718 CD2 LEU A1096 -15.443 -51.703 7.493 1.00 15.43 C ATOM 0 H LEU A1096 -14.220 -50.041 11.905 1.00 31.23 H new ATOM 0 HA LEU A1096 -12.473 -49.504 9.624 1.00 14.12 H new ATOM 0 HB2 LEU A1096 -13.759 -51.638 9.890 1.00 32.20 H new ATOM 0 HB3 LEU A1096 -15.250 -50.722 9.813 1.00 32.20 H new ATOM 0 HG LEU A1096 -14.298 -49.903 7.498 1.00 31.32 H new ATOM 0 HD11 LEU A1096 -12.974 -51.651 6.372 1.00 5.31 H new ATOM 0 HD12 LEU A1096 -12.094 -50.938 7.745 1.00 5.31 H new ATOM 0 HD13 LEU A1096 -12.851 -52.541 7.908 1.00 5.31 H new ATOM 0 HD21 LEU A1096 -15.436 -51.799 6.407 1.00 15.43 H new ATOM 0 HD22 LEU A1096 -15.407 -52.694 7.945 1.00 15.43 H new ATOM 0 HD23 LEU A1096 -16.355 -51.194 7.806 1.00 15.43 H new ATOM 730 N LYS A1097 -13.762 -47.710 8.416 1.00 2.42 N ATOM 731 CA LYS A1097 -14.355 -46.497 7.866 1.00 74.42 C ATOM 732 C LYS A1097 -15.071 -46.791 6.551 1.00 74.23 C ATOM 733 O LYS A1097 -14.541 -47.492 5.688 1.00 4.24 O ATOM 734 CB LYS A1097 -13.278 -45.433 7.645 1.00 12.31 C ATOM 735 CG LYS A1097 -12.072 -45.938 6.873 1.00 31.43 C ATOM 736 CD LYS A1097 -11.002 -44.868 6.747 1.00 64.23 C ATOM 737 CE LYS A1097 -9.729 -45.421 6.123 1.00 21.35 C ATOM 738 NZ LYS A1097 -9.949 -45.868 4.720 1.00 21.04 N ATOM 0 H LYS A1097 -12.998 -48.095 7.861 1.00 2.42 H new ATOM 0 HA LYS A1097 -15.086 -46.122 8.583 1.00 74.42 H new ATOM 0 HB2 LYS A1097 -13.716 -44.591 7.108 1.00 12.31 H new ATOM 0 HB3 LYS A1097 -12.947 -45.057 8.613 1.00 12.31 H new ATOM 0 HG2 LYS A1097 -11.657 -46.811 7.376 1.00 31.43 H new ATOM 0 HG3 LYS A1097 -12.384 -46.260 5.880 1.00 31.43 H new ATOM 0 HD2 LYS A1097 -11.379 -44.046 6.139 1.00 64.23 H new ATOM 0 HD3 LYS A1097 -10.777 -44.459 7.732 1.00 64.23 H new ATOM 0 HE2 LYS A1097 -8.953 -44.656 6.143 1.00 21.35 H new ATOM 0 HE3 LYS A1097 -9.367 -46.259 6.719 1.00 21.35 H new ATOM 0 HZ1 LYS A1097 -9.042 -46.159 4.302 1.00 21.04 H new ATOM 0 HZ2 LYS A1097 -10.608 -46.672 4.711 1.00 21.04 H new ATOM 0 HZ3 LYS A1097 -10.351 -45.085 4.165 1.00 21.04 H new ATOM 752 N GLU A1098 -16.277 -46.250 6.404 1.00 65.44 N ATOM 753 CA GLU A1098 -17.063 -46.454 5.194 1.00 74.02 C ATOM 754 C GLU A1098 -16.396 -45.789 3.993 1.00 52.02 C ATOM 755 O GLU A1098 -16.541 -46.241 2.857 1.00 13.13 O ATOM 756 CB GLU A1098 -18.476 -45.899 5.377 1.00 14.24 C ATOM 757 CG GLU A1098 -18.509 -44.423 5.736 1.00 35.25 C ATOM 758 CD GLU A1098 -19.884 -43.809 5.553 1.00 22.25 C ATOM 759 OE1 GLU A1098 -20.884 -44.544 5.691 1.00 14.55 O ATOM 760 OE2 GLU A1098 -19.960 -42.595 5.273 1.00 2.45 O ATOM 0 H GLU A1098 -16.730 -45.667 7.108 1.00 65.44 H new ATOM 0 HA GLU A1098 -17.123 -47.526 5.008 1.00 74.02 H new ATOM 0 HB2 GLU A1098 -19.040 -46.053 4.457 1.00 14.24 H new ATOM 0 HB3 GLU A1098 -18.981 -46.466 6.159 1.00 14.24 H new ATOM 0 HG2 GLU A1098 -18.194 -44.298 6.772 1.00 35.25 H new ATOM 0 HG3 GLU A1098 -17.790 -43.886 5.117 1.00 35.25 H new ATOM 767 N LYS A1099 -15.664 -44.710 4.252 1.00 34.35 N ATOM 768 CA LYS A1099 -14.974 -43.981 3.195 1.00 34.14 C ATOM 769 C LYS A1099 -15.835 -43.901 1.938 1.00 20.32 C ATOM 770 O LYS A1099 -15.336 -44.052 0.823 1.00 64.05 O ATOM 771 CB LYS A1099 -13.639 -44.655 2.870 1.00 33.21 C ATOM 772 CG LYS A1099 -13.789 -46.049 2.284 1.00 72.12 C ATOM 773 CD LYS A1099 -12.545 -46.469 1.518 1.00 42.22 C ATOM 774 CE LYS A1099 -12.465 -45.780 0.164 1.00 52.10 C ATOM 775 NZ LYS A1099 -13.603 -46.159 -0.718 1.00 32.30 N ATOM 0 H LYS A1099 -15.534 -44.321 5.186 1.00 34.35 H new ATOM 0 HA LYS A1099 -14.785 -42.968 3.550 1.00 34.14 H new ATOM 0 HB2 LYS A1099 -13.088 -44.031 2.166 1.00 33.21 H new ATOM 0 HB3 LYS A1099 -13.041 -44.714 3.779 1.00 33.21 H new ATOM 0 HG2 LYS A1099 -13.982 -46.763 3.085 1.00 72.12 H new ATOM 0 HG3 LYS A1099 -14.653 -46.074 1.619 1.00 72.12 H new ATOM 0 HD2 LYS A1099 -11.657 -46.228 2.103 1.00 42.22 H new ATOM 0 HD3 LYS A1099 -12.550 -47.550 1.378 1.00 42.22 H new ATOM 0 HE2 LYS A1099 -12.460 -44.699 0.306 1.00 52.10 H new ATOM 0 HE3 LYS A1099 -11.525 -46.042 -0.322 1.00 52.10 H new ATOM 0 HZ1 LYS A1099 -13.337 -46.009 -1.712 1.00 32.30 H new ATOM 0 HZ2 LYS A1099 -13.838 -47.161 -0.570 1.00 32.30 H new ATOM 0 HZ3 LYS A1099 -14.430 -45.572 -0.489 1.00 32.30 H new ATOM 789 N MET A1100 -17.128 -43.662 2.126 1.00 10.21 N ATOM 790 CA MET A1100 -18.056 -43.558 1.006 1.00 10.05 C ATOM 791 C MET A1100 -17.677 -42.400 0.090 1.00 5.52 C ATOM 792 O MET A1100 -17.766 -42.508 -1.131 1.00 73.44 O ATOM 793 CB MET A1100 -19.487 -43.374 1.517 1.00 4.52 C ATOM 794 CG MET A1100 -20.543 -43.960 0.594 1.00 2.11 C ATOM 795 SD MET A1100 -20.940 -42.872 -0.788 1.00 64.43 S ATOM 796 CE MET A1100 -20.642 -43.965 -2.175 1.00 21.20 C ATOM 0 H MET A1100 -17.557 -43.537 3.043 1.00 10.21 H new ATOM 0 HA MET A1100 -17.999 -44.483 0.433 1.00 10.05 H new ATOM 0 HB2 MET A1100 -19.576 -43.839 2.499 1.00 4.52 H new ATOM 0 HB3 MET A1100 -19.682 -42.310 1.650 1.00 4.52 H new ATOM 0 HG2 MET A1100 -20.192 -44.917 0.208 1.00 2.11 H new ATOM 0 HG3 MET A1100 -21.449 -44.160 1.166 1.00 2.11 H new ATOM 0 HE1 MET A1100 -20.845 -43.435 -3.106 1.00 21.20 H new ATOM 0 HE2 MET A1100 -19.603 -44.293 -2.163 1.00 21.20 H new ATOM 0 HE3 MET A1100 -21.297 -44.833 -2.102 1.00 21.20 H new ATOM 806 N GLU A1101 -17.255 -41.291 0.691 1.00 73.34 N ATOM 807 CA GLU A1101 -16.864 -40.112 -0.073 1.00 51.31 C ATOM 808 C GLU A1101 -18.026 -39.601 -0.920 1.00 74.33 C ATOM 809 O GLU A1101 -17.880 -39.376 -2.122 1.00 30.24 O ATOM 810 CB GLU A1101 -15.667 -40.432 -0.970 1.00 40.14 C ATOM 811 CG GLU A1101 -14.800 -39.223 -1.283 1.00 42.11 C ATOM 812 CD GLU A1101 -15.245 -38.496 -2.538 1.00 43.13 C ATOM 813 OE1 GLU A1101 -15.116 -39.076 -3.635 1.00 73.54 O ATOM 814 OE2 GLU A1101 -15.721 -37.348 -2.421 1.00 43.52 O ATOM 0 H GLU A1101 -17.175 -41.185 1.702 1.00 73.34 H new ATOM 0 HA GLU A1101 -16.582 -39.331 0.633 1.00 51.31 H new ATOM 0 HB2 GLU A1101 -15.054 -41.192 -0.486 1.00 40.14 H new ATOM 0 HB3 GLU A1101 -16.028 -40.861 -1.905 1.00 40.14 H new ATOM 0 HG2 GLU A1101 -14.826 -38.533 -0.439 1.00 42.11 H new ATOM 0 HG3 GLU A1101 -13.765 -39.543 -1.401 1.00 42.11 H new ATOM 821 N ALA A1102 -19.180 -39.424 -0.285 1.00 44.45 N ATOM 822 CA ALA A1102 -20.367 -38.938 -0.979 1.00 60.50 C ATOM 823 C ALA A1102 -20.121 -37.566 -1.596 1.00 24.34 C ATOM 824 O ALA A1102 -19.348 -36.767 -1.068 1.00 0.34 O ATOM 825 CB ALA A1102 -21.552 -38.887 -0.025 1.00 63.25 C ATOM 0 H ALA A1102 -19.318 -39.610 0.708 1.00 44.45 H new ATOM 0 HA ALA A1102 -20.595 -39.633 -1.787 1.00 60.50 H new ATOM 0 HB1 ALA A1102 -22.431 -38.522 -0.556 1.00 63.25 H new ATOM 0 HB2 ALA A1102 -21.750 -39.886 0.362 1.00 63.25 H new ATOM 0 HB3 ALA A1102 -21.324 -38.216 0.803 1.00 63.25 H new ATOM 831 N GLY A1103 -20.782 -37.298 -2.717 1.00 73.14 N ATOM 832 CA GLY A1103 -20.621 -36.021 -3.387 1.00 73.15 C ATOM 833 C GLY A1103 -19.466 -36.024 -4.370 1.00 3.45 C ATOM 834 O GLY A1103 -18.811 -37.055 -4.522 1.00 54.54 O ATOM 0 H GLY A1103 -21.427 -37.943 -3.174 1.00 73.14 H new ATOM 0 HA2 GLY A1103 -21.542 -35.772 -3.914 1.00 73.15 H new ATOM 0 HA3 GLY A1103 -20.459 -35.241 -2.643 1.00 73.15 H new TER 838 GLY A1103