USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 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 -26:sc= 0.0105 USER MOD Single : A1055 ASN : amide:sc= -0.405 K(o=-0.4,f=-1.8) 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= -0.896 X(o=-0.9,f=-1.3) USER MOD Single : A1064 MET CE :methyl 168:sc= -2.96 (180deg=-3.38) USER MOD Single : A1066 TYR OH : rot 180:sc= -0.159 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+ -159:sc= -0.0855 (180deg=-0.463) 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+ -150:sc= 0.459 (180deg=0.13) 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 -11.119 -7.448 7.122 1.00 63.33 N ATOM 2 CA SER A1054 -11.367 -6.074 6.702 1.00 54.12 C ATOM 3 C SER A1054 -10.073 -5.397 6.263 1.00 45.33 C ATOM 4 O SER A1054 -9.904 -4.189 6.428 1.00 10.11 O ATOM 5 CB SER A1054 -12.012 -5.279 7.839 1.00 11.03 C ATOM 6 OG SER A1054 -11.120 -5.135 8.930 1.00 23.42 O ATOM 0 HA SER A1054 -12.049 -6.098 5.852 1.00 54.12 H new ATOM 0 HB2 SER A1054 -12.309 -4.295 7.476 1.00 11.03 H new ATOM 0 HB3 SER A1054 -12.919 -5.784 8.171 1.00 11.03 H new ATOM 0 HG SER A1054 -10.476 -5.874 8.926 1.00 23.42 H new ATOM 12 N ASN A1055 -9.160 -6.185 5.704 1.00 41.12 N ATOM 13 CA ASN A1055 -7.879 -5.663 5.242 1.00 51.13 C ATOM 14 C ASN A1055 -7.218 -6.631 4.266 1.00 62.14 C ATOM 15 O ASN A1055 -7.384 -7.845 4.371 1.00 3.14 O ATOM 16 CB ASN A1055 -6.951 -5.405 6.430 1.00 1.54 C ATOM 17 CG ASN A1055 -5.839 -4.430 6.094 1.00 62.21 C ATOM 18 OD1 ASN A1055 -4.668 -4.807 6.030 1.00 42.43 O ATOM 19 ND2 ASN A1055 -6.200 -3.171 5.878 1.00 30.15 N ATOM 0 H ASN A1055 -9.284 -7.187 5.560 1.00 41.12 H new ATOM 0 HA ASN A1055 -8.064 -4.722 4.724 1.00 51.13 H new ATOM 0 HB2 ASN A1055 -7.533 -5.014 7.264 1.00 1.54 H new ATOM 0 HB3 ASN A1055 -6.516 -6.349 6.759 1.00 1.54 H new ATOM 0 HD21 ASN A1055 -5.495 -2.471 5.648 1.00 30.15 H new ATOM 0 HD22 ASN A1055 -7.182 -2.904 5.942 1.00 30.15 H new ATOM 26 N ALA A1056 -6.466 -6.083 3.316 1.00 21.43 N ATOM 27 CA ALA A1056 -5.776 -6.898 2.323 1.00 14.22 C ATOM 28 C ALA A1056 -4.263 -6.765 2.459 1.00 33.04 C ATOM 29 O ALA A1056 -3.568 -6.454 1.492 1.00 55.02 O ATOM 30 CB ALA A1056 -6.218 -6.508 0.921 1.00 13.14 C ATOM 0 H ALA A1056 -6.319 -5.079 3.213 1.00 21.43 H new ATOM 0 HA ALA A1056 -6.040 -7.941 2.498 1.00 14.22 H new ATOM 0 HB1 ALA A1056 -5.695 -7.124 0.190 1.00 13.14 H new ATOM 0 HB2 ALA A1056 -7.293 -6.661 0.822 1.00 13.14 H new ATOM 0 HB3 ALA A1056 -5.984 -5.458 0.744 1.00 13.14 H new ATOM 36 N ASP A1057 -3.759 -7.002 3.665 1.00 71.41 N ATOM 37 CA ASP A1057 -2.327 -6.910 3.927 1.00 54.11 C ATOM 38 C ASP A1057 -1.804 -8.199 4.552 1.00 32.05 C ATOM 39 O ASP A1057 -1.061 -8.169 5.534 1.00 52.10 O ATOM 40 CB ASP A1057 -2.031 -5.724 4.849 1.00 73.42 C ATOM 41 CG ASP A1057 -0.625 -5.188 4.667 1.00 40.31 C ATOM 42 OD1 ASP A1057 0.312 -5.774 5.245 1.00 62.21 O ATOM 43 OD2 ASP A1057 -0.464 -4.179 3.947 1.00 3.00 O ATOM 0 H ASP A1057 -4.321 -7.259 4.477 1.00 71.41 H new ATOM 0 HA ASP A1057 -1.818 -6.757 2.975 1.00 54.11 H new ATOM 0 HB2 ASP A1057 -2.749 -4.927 4.654 1.00 73.42 H new ATOM 0 HB3 ASP A1057 -2.169 -6.030 5.886 1.00 73.42 H new ATOM 48 N VAL A1058 -2.199 -9.331 3.978 1.00 2.35 N ATOM 49 CA VAL A1058 -1.770 -10.632 4.480 1.00 33.10 C ATOM 50 C VAL A1058 -0.576 -11.158 3.692 1.00 20.31 C ATOM 51 O VAL A1058 0.229 -11.933 4.207 1.00 22.40 O ATOM 52 CB VAL A1058 -2.911 -11.664 4.411 1.00 51.43 C ATOM 53 CG1 VAL A1058 -3.301 -11.933 2.965 1.00 13.24 C ATOM 54 CG2 VAL A1058 -2.508 -12.952 5.111 1.00 62.01 C ATOM 0 H VAL A1058 -2.815 -9.374 3.166 1.00 2.35 H new ATOM 0 HA VAL A1058 -1.481 -10.490 5.521 1.00 33.10 H new ATOM 0 HB VAL A1058 -3.779 -11.254 4.927 1.00 51.43 H new ATOM 0 HG11 VAL A1058 -4.109 -12.665 2.936 1.00 13.24 H new ATOM 0 HG12 VAL A1058 -3.635 -11.006 2.500 1.00 13.24 H new ATOM 0 HG13 VAL A1058 -2.440 -12.322 2.422 1.00 13.24 H new ATOM 0 HG21 VAL A1058 -3.326 -13.669 5.052 1.00 62.01 H new ATOM 0 HG22 VAL A1058 -1.625 -13.368 4.627 1.00 62.01 H new ATOM 0 HG23 VAL A1058 -2.283 -12.743 6.157 1.00 62.01 H new ATOM 64 N VAL A1059 -0.466 -10.731 2.437 1.00 11.50 N ATOM 65 CA VAL A1059 0.631 -11.157 1.578 1.00 71.02 C ATOM 66 C VAL A1059 1.981 -10.889 2.234 1.00 1.51 C ATOM 67 O VAL A1059 2.964 -11.577 1.961 1.00 54.45 O ATOM 68 CB VAL A1059 0.586 -10.443 0.214 1.00 15.30 C ATOM 69 CG1 VAL A1059 1.693 -10.954 -0.695 1.00 22.45 C ATOM 70 CG2 VAL A1059 -0.777 -10.625 -0.438 1.00 13.31 C ATOM 0 H VAL A1059 -1.124 -10.090 1.994 1.00 11.50 H new ATOM 0 HA VAL A1059 0.512 -12.229 1.423 1.00 71.02 H new ATOM 0 HB VAL A1059 0.747 -9.377 0.377 1.00 15.30 H new ATOM 0 HG11 VAL A1059 1.644 -10.437 -1.654 1.00 22.45 H new ATOM 0 HG12 VAL A1059 2.661 -10.766 -0.230 1.00 22.45 H new ATOM 0 HG13 VAL A1059 1.568 -12.025 -0.853 1.00 22.45 H new ATOM 0 HG21 VAL A1059 -0.791 -10.114 -1.401 1.00 13.31 H new ATOM 0 HG22 VAL A1059 -0.970 -11.687 -0.588 1.00 13.31 H new ATOM 0 HG23 VAL A1059 -1.548 -10.204 0.207 1.00 13.31 H new ATOM 80 N TYR A1060 2.020 -9.884 3.103 1.00 40.04 N ATOM 81 CA TYR A1060 3.250 -9.523 3.798 1.00 14.23 C ATOM 82 C TYR A1060 3.779 -10.698 4.615 1.00 33.30 C ATOM 83 O TYR A1060 3.013 -11.422 5.249 1.00 54.33 O ATOM 84 CB TYR A1060 3.009 -8.320 4.713 1.00 32.40 C ATOM 85 CG TYR A1060 3.110 -6.990 4.001 1.00 51.50 C ATOM 86 CD1 TYR A1060 2.277 -6.687 2.931 1.00 53.00 C ATOM 87 CD2 TYR A1060 4.038 -6.035 4.400 1.00 31.12 C ATOM 88 CE1 TYR A1060 2.366 -5.473 2.278 1.00 45.22 C ATOM 89 CE2 TYR A1060 4.133 -4.818 3.753 1.00 1.24 C ATOM 90 CZ TYR A1060 3.296 -4.541 2.693 1.00 35.32 C ATOM 91 OH TYR A1060 3.387 -3.330 2.046 1.00 15.02 O ATOM 0 H TYR A1060 1.215 -9.306 3.342 1.00 40.04 H new ATOM 0 HA TYR A1060 3.996 -9.259 3.049 1.00 14.23 H new ATOM 0 HB2 TYR A1060 2.020 -8.408 5.163 1.00 32.40 H new ATOM 0 HB3 TYR A1060 3.733 -8.343 5.528 1.00 32.40 H new ATOM 0 HD1 TYR A1060 1.547 -7.413 2.604 1.00 53.00 H new ATOM 0 HD2 TYR A1060 4.696 -6.248 5.230 1.00 31.12 H new ATOM 0 HE1 TYR A1060 1.712 -5.254 1.447 1.00 45.22 H new ATOM 0 HE2 TYR A1060 4.859 -4.087 4.076 1.00 1.24 H new ATOM 0 HH TYR A1060 4.090 -2.789 2.462 1.00 15.02 H new ATOM 101 N GLU A1061 5.096 -10.880 4.593 1.00 34.33 N ATOM 102 CA GLU A1061 5.728 -11.967 5.331 1.00 65.01 C ATOM 103 C GLU A1061 5.947 -11.580 6.791 1.00 54.13 C ATOM 104 O GLU A1061 6.177 -12.436 7.645 1.00 51.22 O ATOM 105 CB GLU A1061 7.065 -12.341 4.685 1.00 14.43 C ATOM 106 CG GLU A1061 7.905 -13.285 5.529 1.00 4.44 C ATOM 107 CD GLU A1061 9.225 -13.637 4.871 1.00 1.23 C ATOM 108 OE1 GLU A1061 9.213 -14.015 3.681 1.00 33.53 O ATOM 109 OE2 GLU A1061 10.270 -13.535 5.547 1.00 12.13 O ATOM 0 H GLU A1061 5.745 -10.289 4.073 1.00 34.33 H new ATOM 0 HA GLU A1061 5.062 -12.829 5.298 1.00 65.01 H new ATOM 0 HB2 GLU A1061 6.874 -12.805 3.717 1.00 14.43 H new ATOM 0 HB3 GLU A1061 7.635 -11.431 4.496 1.00 14.43 H new ATOM 0 HG2 GLU A1061 8.098 -12.826 6.499 1.00 4.44 H new ATOM 0 HG3 GLU A1061 7.341 -14.199 5.716 1.00 4.44 H new ATOM 116 N LYS A1062 5.874 -10.282 7.069 1.00 22.12 N ATOM 117 CA LYS A1062 6.063 -9.779 8.424 1.00 54.32 C ATOM 118 C LYS A1062 4.817 -10.017 9.271 1.00 22.12 C ATOM 119 O LYS A1062 4.788 -9.683 10.456 1.00 32.43 O ATOM 120 CB LYS A1062 6.393 -8.284 8.394 1.00 74.12 C ATOM 121 CG LYS A1062 5.388 -7.456 7.613 1.00 50.44 C ATOM 122 CD LYS A1062 5.450 -5.988 8.005 1.00 31.22 C ATOM 123 CE LYS A1062 4.563 -5.694 9.204 1.00 32.44 C ATOM 124 NZ LYS A1062 3.195 -5.275 8.793 1.00 15.04 N ATOM 0 H LYS A1062 5.685 -9.560 6.374 1.00 22.12 H new ATOM 0 HA LYS A1062 6.896 -10.320 8.873 1.00 54.32 H new ATOM 0 HB2 LYS A1062 6.442 -7.911 9.417 1.00 74.12 H new ATOM 0 HB3 LYS A1062 7.382 -8.147 7.957 1.00 74.12 H new ATOM 0 HG2 LYS A1062 5.583 -7.557 6.545 1.00 50.44 H new ATOM 0 HG3 LYS A1062 4.383 -7.839 7.791 1.00 50.44 H new ATOM 0 HD2 LYS A1062 6.480 -5.715 8.237 1.00 31.22 H new ATOM 0 HD3 LYS A1062 5.139 -5.372 7.161 1.00 31.22 H new ATOM 0 HE2 LYS A1062 4.497 -6.582 9.833 1.00 32.44 H new ATOM 0 HE3 LYS A1062 5.017 -4.908 9.808 1.00 32.44 H new ATOM 0 HZ1 LYS A1062 2.622 -5.084 9.639 1.00 15.04 H new ATOM 0 HZ2 LYS A1062 3.255 -4.413 8.214 1.00 15.04 H new ATOM 0 HZ3 LYS A1062 2.751 -6.035 8.238 1.00 15.04 H new ATOM 138 N GLN A1063 3.791 -10.598 8.657 1.00 52.41 N ATOM 139 CA GLN A1063 2.544 -10.882 9.357 1.00 72.11 C ATOM 140 C GLN A1063 2.761 -11.913 10.459 1.00 12.44 C ATOM 141 O GLN A1063 1.894 -12.118 11.309 1.00 1.42 O ATOM 142 CB GLN A1063 1.485 -11.384 8.373 1.00 23.23 C ATOM 143 CG GLN A1063 1.105 -10.362 7.314 1.00 11.43 C ATOM 144 CD GLN A1063 0.082 -9.359 7.813 1.00 14.44 C ATOM 145 OE1 GLN A1063 -1.108 -9.662 7.905 1.00 23.50 O ATOM 146 NE2 GLN A1063 0.541 -8.156 8.138 1.00 25.21 N ATOM 0 H GLN A1063 3.799 -10.881 7.677 1.00 52.41 H new ATOM 0 HA GLN A1063 2.195 -9.957 9.815 1.00 72.11 H new ATOM 0 HB2 GLN A1063 1.855 -12.284 7.881 1.00 23.23 H new ATOM 0 HB3 GLN A1063 0.591 -11.669 8.928 1.00 23.23 H new ATOM 0 HG2 GLN A1063 2.000 -9.832 6.988 1.00 11.43 H new ATOM 0 HG3 GLN A1063 0.706 -10.879 6.442 1.00 11.43 H new ATOM 0 HE21 GLN A1063 1.535 -7.948 8.046 1.00 25.21 H new ATOM 0 HE22 GLN A1063 -0.101 -7.440 8.479 1.00 25.21 H new ATOM 155 N MET A1064 3.921 -12.559 10.438 1.00 22.02 N ATOM 156 CA MET A1064 4.251 -13.569 11.438 1.00 62.05 C ATOM 157 C MET A1064 3.229 -14.701 11.425 1.00 72.50 C ATOM 158 O MET A1064 3.049 -15.400 12.423 1.00 4.01 O ATOM 159 CB MET A1064 4.315 -12.938 12.830 1.00 75.51 C ATOM 160 CG MET A1064 5.370 -11.853 12.958 1.00 52.42 C ATOM 161 SD MET A1064 7.035 -12.460 12.630 1.00 24.22 S ATOM 162 CE MET A1064 7.185 -12.112 10.880 1.00 20.31 C ATOM 0 H MET A1064 4.648 -12.402 9.740 1.00 22.02 H new ATOM 0 HA MET A1064 5.228 -13.984 11.191 1.00 62.05 H new ATOM 0 HB2 MET A1064 3.340 -12.516 13.073 1.00 75.51 H new ATOM 0 HB3 MET A1064 4.517 -13.718 13.564 1.00 75.51 H new ATOM 0 HG2 MET A1064 5.139 -11.044 12.265 1.00 52.42 H new ATOM 0 HG3 MET A1064 5.332 -11.432 13.963 1.00 52.42 H new ATOM 0 HE1 MET A1064 8.224 -12.231 10.573 1.00 20.31 H new ATOM 0 HE2 MET A1064 6.559 -12.804 10.316 1.00 20.31 H new ATOM 0 HE3 MET A1064 6.863 -11.089 10.684 1.00 20.31 H new ATOM 172 N LEU A1065 2.561 -14.877 10.290 1.00 65.32 N ATOM 173 CA LEU A1065 1.556 -15.924 10.147 1.00 0.15 C ATOM 174 C LEU A1065 2.152 -17.166 9.492 1.00 62.35 C ATOM 175 O LEU A1065 1.642 -18.273 9.658 1.00 31.51 O ATOM 176 CB LEU A1065 0.374 -15.415 9.322 1.00 62.34 C ATOM 177 CG LEU A1065 0.717 -14.804 7.963 1.00 65.31 C ATOM 178 CD1 LEU A1065 0.925 -15.896 6.924 1.00 24.10 C ATOM 179 CD2 LEU A1065 -0.375 -13.843 7.518 1.00 45.14 C ATOM 0 H LEU A1065 2.698 -14.307 9.455 1.00 65.32 H new ATOM 0 HA LEU A1065 1.205 -16.195 11.143 1.00 0.15 H new ATOM 0 HB2 LEU A1065 -0.315 -16.244 9.161 1.00 62.34 H new ATOM 0 HB3 LEU A1065 -0.158 -14.667 9.910 1.00 62.34 H new ATOM 0 HG LEU A1065 1.647 -14.244 8.063 1.00 65.31 H new ATOM 0 HD11 LEU A1065 1.168 -15.442 5.963 1.00 24.10 H new ATOM 0 HD12 LEU A1065 1.743 -16.545 7.237 1.00 24.10 H new ATOM 0 HD13 LEU A1065 0.013 -16.484 6.827 1.00 24.10 H new ATOM 0 HD21 LEU A1065 -0.113 -13.418 6.549 1.00 45.14 H new ATOM 0 HD22 LEU A1065 -1.320 -14.379 7.436 1.00 45.14 H new ATOM 0 HD23 LEU A1065 -0.475 -13.042 8.250 1.00 45.14 H new ATOM 191 N TYR A1066 3.236 -16.973 8.748 1.00 73.10 N ATOM 192 CA TYR A1066 3.902 -18.076 8.067 1.00 71.53 C ATOM 193 C TYR A1066 4.203 -19.214 9.038 1.00 51.22 C ATOM 194 O TYR A1066 4.266 -20.380 8.646 1.00 63.42 O ATOM 195 CB TYR A1066 5.197 -17.593 7.413 1.00 43.14 C ATOM 196 CG TYR A1066 6.277 -17.226 8.406 1.00 71.32 C ATOM 197 CD1 TYR A1066 6.231 -16.022 9.098 1.00 32.11 C ATOM 198 CD2 TYR A1066 7.343 -18.083 8.652 1.00 33.23 C ATOM 199 CE1 TYR A1066 7.216 -15.683 10.007 1.00 73.23 C ATOM 200 CE2 TYR A1066 8.330 -17.753 9.559 1.00 62.02 C ATOM 201 CZ TYR A1066 8.263 -16.552 10.233 1.00 0.31 C ATOM 202 OH TYR A1066 9.245 -16.218 11.138 1.00 62.41 O ATOM 0 H TYR A1066 3.672 -16.062 8.602 1.00 73.10 H new ATOM 0 HA TYR A1066 3.231 -18.450 7.294 1.00 71.53 H new ATOM 0 HB2 TYR A1066 5.573 -18.374 6.752 1.00 43.14 H new ATOM 0 HB3 TYR A1066 4.978 -16.726 6.790 1.00 43.14 H new ATOM 0 HD1 TYR A1066 5.412 -15.340 8.923 1.00 32.11 H new ATOM 0 HD2 TYR A1066 7.400 -19.024 8.124 1.00 33.23 H new ATOM 0 HE1 TYR A1066 7.166 -14.743 10.537 1.00 73.23 H new ATOM 0 HE2 TYR A1066 9.150 -18.432 9.740 1.00 62.02 H new ATOM 0 HH TYR A1066 9.909 -16.938 11.181 1.00 62.41 H new ATOM 212 N LEU A1067 4.387 -18.866 10.307 1.00 62.21 N ATOM 213 CA LEU A1067 4.680 -19.856 11.336 1.00 22.45 C ATOM 214 C LEU A1067 3.443 -20.685 11.664 1.00 33.42 C ATOM 215 O LEU A1067 3.490 -21.915 11.675 1.00 23.32 O ATOM 216 CB LEU A1067 5.197 -19.169 12.601 1.00 22.31 C ATOM 217 CG LEU A1067 6.341 -18.173 12.403 1.00 35.12 C ATOM 218 CD1 LEU A1067 6.253 -17.050 13.424 1.00 3.45 C ATOM 219 CD2 LEU A1067 7.686 -18.879 12.498 1.00 61.20 C ATOM 0 H LEU A1067 4.338 -17.906 10.647 1.00 62.21 H new ATOM 0 HA LEU A1067 5.451 -20.524 10.952 1.00 22.45 H new ATOM 0 HB2 LEU A1067 4.365 -18.647 13.073 1.00 22.31 H new ATOM 0 HB3 LEU A1067 5.528 -19.938 13.299 1.00 22.31 H new ATOM 0 HG LEU A1067 6.251 -17.739 11.407 1.00 35.12 H new ATOM 0 HD11 LEU A1067 7.075 -16.351 13.268 1.00 3.45 H new ATOM 0 HD12 LEU A1067 5.304 -16.526 13.308 1.00 3.45 H new ATOM 0 HD13 LEU A1067 6.317 -17.466 14.429 1.00 3.45 H new ATOM 0 HD21 LEU A1067 8.488 -18.155 12.355 1.00 61.20 H new ATOM 0 HD22 LEU A1067 7.786 -19.341 13.480 1.00 61.20 H new ATOM 0 HD23 LEU A1067 7.749 -19.647 11.727 1.00 61.20 H new ATOM 231 N TYR A1068 2.334 -20.003 11.929 1.00 12.44 N ATOM 232 CA TYR A1068 1.083 -20.675 12.258 1.00 3.14 C ATOM 233 C TYR A1068 0.563 -21.471 11.065 1.00 72.10 C ATOM 234 O TYR A1068 -0.043 -22.532 11.228 1.00 43.05 O ATOM 235 CB TYR A1068 0.032 -19.655 12.701 1.00 5.41 C ATOM 236 CG TYR A1068 -1.075 -19.447 11.692 1.00 24.43 C ATOM 237 CD1 TYR A1068 -2.174 -20.297 11.653 1.00 24.12 C ATOM 238 CD2 TYR A1068 -1.020 -18.404 10.778 1.00 41.33 C ATOM 239 CE1 TYR A1068 -3.186 -20.111 10.732 1.00 35.44 C ATOM 240 CE2 TYR A1068 -2.030 -18.210 9.854 1.00 4.23 C ATOM 241 CZ TYR A1068 -3.111 -19.067 9.835 1.00 22.12 C ATOM 242 OH TYR A1068 -4.117 -18.878 8.916 1.00 15.14 O ATOM 0 H TYR A1068 2.276 -18.985 11.922 1.00 12.44 H new ATOM 0 HA TYR A1068 1.277 -21.367 13.078 1.00 3.14 H new ATOM 0 HB2 TYR A1068 -0.405 -19.983 13.644 1.00 5.41 H new ATOM 0 HB3 TYR A1068 0.522 -18.700 12.891 1.00 5.41 H new ATOM 0 HD1 TYR A1068 -2.238 -21.116 12.354 1.00 24.12 H new ATOM 0 HD2 TYR A1068 -0.174 -17.733 10.789 1.00 41.33 H new ATOM 0 HE1 TYR A1068 -4.033 -20.781 10.715 1.00 35.44 H new ATOM 0 HE2 TYR A1068 -1.973 -17.392 9.151 1.00 4.23 H new ATOM 0 HH TYR A1068 -3.910 -18.098 8.360 1.00 15.14 H new ATOM 252 N VAL A1069 0.803 -20.952 9.865 1.00 24.23 N ATOM 253 CA VAL A1069 0.362 -21.614 8.644 1.00 62.42 C ATOM 254 C VAL A1069 1.214 -22.843 8.346 1.00 53.22 C ATOM 255 O VAL A1069 0.714 -23.852 7.845 1.00 73.35 O ATOM 256 CB VAL A1069 0.418 -20.659 7.436 1.00 24.14 C ATOM 257 CG1 VAL A1069 0.618 -21.440 6.147 1.00 74.41 C ATOM 258 CG2 VAL A1069 -0.844 -19.814 7.367 1.00 13.30 C ATOM 0 H VAL A1069 1.301 -20.075 9.713 1.00 24.23 H new ATOM 0 HA VAL A1069 -0.671 -21.922 8.807 1.00 62.42 H new ATOM 0 HB VAL A1069 1.269 -19.990 7.563 1.00 24.14 H new ATOM 0 HG11 VAL A1069 0.655 -20.749 5.305 1.00 74.41 H new ATOM 0 HG12 VAL A1069 1.553 -21.997 6.201 1.00 74.41 H new ATOM 0 HG13 VAL A1069 -0.211 -22.135 6.010 1.00 74.41 H new ATOM 0 HG21 VAL A1069 -0.788 -19.145 6.508 1.00 13.30 H new ATOM 0 HG22 VAL A1069 -1.712 -20.465 7.264 1.00 13.30 H new ATOM 0 HG23 VAL A1069 -0.938 -19.225 8.280 1.00 13.30 H new ATOM 268 N LEU A1070 2.501 -22.753 8.657 1.00 23.33 N ATOM 269 CA LEU A1070 3.425 -23.859 8.424 1.00 53.23 C ATOM 270 C LEU A1070 3.210 -24.972 9.444 1.00 44.42 C ATOM 271 O LEU A1070 3.340 -26.154 9.125 1.00 4.52 O ATOM 272 CB LEU A1070 4.870 -23.364 8.488 1.00 5.40 C ATOM 273 CG LEU A1070 5.933 -24.323 7.951 1.00 23.24 C ATOM 274 CD1 LEU A1070 5.977 -24.276 6.432 1.00 41.11 C ATOM 275 CD2 LEU A1070 7.298 -23.990 8.537 1.00 15.02 C ATOM 0 H LEU A1070 2.930 -21.926 9.071 1.00 23.33 H new ATOM 0 HA LEU A1070 3.229 -24.261 7.430 1.00 53.23 H new ATOM 0 HB2 LEU A1070 4.938 -22.430 7.931 1.00 5.40 H new ATOM 0 HB3 LEU A1070 5.108 -23.134 9.526 1.00 5.40 H new ATOM 0 HG LEU A1070 5.667 -25.335 8.255 1.00 23.24 H new ATOM 0 HD11 LEU A1070 6.739 -24.965 6.069 1.00 41.11 H new ATOM 0 HD12 LEU A1070 5.006 -24.565 6.031 1.00 41.11 H new ATOM 0 HD13 LEU A1070 6.218 -23.264 6.106 1.00 41.11 H new ATOM 0 HD21 LEU A1070 8.042 -24.683 8.143 1.00 15.02 H new ATOM 0 HD22 LEU A1070 7.572 -22.971 8.265 1.00 15.02 H new ATOM 0 HD23 LEU A1070 7.259 -24.078 9.623 1.00 15.02 H new ATOM 287 N SER A1071 2.879 -24.586 10.672 1.00 20.14 N ATOM 288 CA SER A1071 2.647 -25.551 11.741 1.00 63.24 C ATOM 289 C SER A1071 1.314 -26.266 11.548 1.00 54.34 C ATOM 290 O SER A1071 1.140 -27.406 11.975 1.00 61.23 O ATOM 291 CB SER A1071 2.673 -24.854 13.102 1.00 52.45 C ATOM 292 OG SER A1071 2.551 -25.791 14.158 1.00 72.24 O ATOM 0 H SER A1071 2.765 -23.612 10.952 1.00 20.14 H new ATOM 0 HA SER A1071 3.445 -26.292 11.706 1.00 63.24 H new ATOM 0 HB2 SER A1071 3.604 -24.298 13.211 1.00 52.45 H new ATOM 0 HB3 SER A1071 1.860 -24.130 13.159 1.00 52.45 H new ATOM 0 HG SER A1071 2.572 -25.320 15.017 1.00 72.24 H new ATOM 298 N GLY A1072 0.373 -25.585 10.899 1.00 21.04 N ATOM 299 CA GLY A1072 -0.934 -26.170 10.660 1.00 11.32 C ATOM 300 C GLY A1072 -0.918 -27.188 9.537 1.00 45.42 C ATOM 301 O GLY A1072 -1.584 -28.220 9.617 1.00 63.41 O ATOM 0 H GLY A1072 0.493 -24.640 10.535 1.00 21.04 H new ATOM 0 HA2 GLY A1072 -1.287 -26.648 11.574 1.00 11.32 H new ATOM 0 HA3 GLY A1072 -1.644 -25.379 10.419 1.00 11.32 H new ATOM 305 N ILE A1073 -0.156 -26.896 8.488 1.00 11.34 N ATOM 306 CA ILE A1073 -0.057 -27.794 7.345 1.00 63.52 C ATOM 307 C ILE A1073 0.784 -29.022 7.681 1.00 70.44 C ATOM 308 O ILE A1073 0.550 -30.109 7.156 1.00 63.50 O ATOM 309 CB ILE A1073 0.558 -27.085 6.124 1.00 53.03 C ATOM 310 CG1 ILE A1073 2.021 -26.730 6.395 1.00 41.22 C ATOM 311 CG2 ILE A1073 -0.241 -25.837 5.780 1.00 43.34 C ATOM 312 CD1 ILE A1073 2.710 -26.067 5.222 1.00 34.43 C ATOM 0 H ILE A1073 0.401 -26.045 8.407 1.00 11.34 H new ATOM 0 HA ILE A1073 -1.072 -28.107 7.101 1.00 63.52 H new ATOM 0 HB ILE A1073 0.521 -27.763 5.272 1.00 53.03 H new ATOM 0 HG12 ILE A1073 2.071 -26.066 7.258 1.00 41.22 H new ATOM 0 HG13 ILE A1073 2.564 -27.638 6.659 1.00 41.22 H new ATOM 0 HG21 ILE A1073 0.205 -25.346 4.915 1.00 43.34 H new ATOM 0 HG22 ILE A1073 -1.269 -26.115 5.549 1.00 43.34 H new ATOM 0 HG23 ILE A1073 -0.232 -25.154 6.629 1.00 43.34 H new ATOM 0 HD11 ILE A1073 3.744 -25.844 5.486 1.00 34.43 H new ATOM 0 HD12 ILE A1073 2.692 -26.737 4.363 1.00 34.43 H new ATOM 0 HD13 ILE A1073 2.192 -25.142 4.971 1.00 34.43 H new ATOM 324 N GLY A1074 1.762 -28.839 8.563 1.00 63.13 N ATOM 325 CA GLY A1074 2.621 -29.940 8.955 1.00 5.05 C ATOM 326 C GLY A1074 1.930 -30.909 9.895 1.00 75.15 C ATOM 327 O GLY A1074 2.179 -32.114 9.849 1.00 40.24 O ATOM 0 H GLY A1074 1.974 -27.948 9.013 1.00 63.13 H new ATOM 0 HA2 GLY A1074 2.950 -30.475 8.064 1.00 5.05 H new ATOM 0 HA3 GLY A1074 3.515 -29.545 9.438 1.00 5.05 H new ATOM 331 N GLY A1075 1.058 -30.383 10.749 1.00 2.11 N ATOM 332 CA GLY A1075 0.344 -31.223 11.692 1.00 31.04 C ATOM 333 C GLY A1075 -0.757 -32.028 11.032 1.00 53.23 C ATOM 334 O GLY A1075 -1.053 -33.149 11.449 1.00 41.14 O ATOM 0 H GLY A1075 0.833 -29.390 10.805 1.00 2.11 H new ATOM 0 HA2 GLY A1075 1.047 -31.902 12.174 1.00 31.04 H new ATOM 0 HA3 GLY A1075 -0.086 -30.600 12.476 1.00 31.04 H new ATOM 338 N LEU A1076 -1.369 -31.457 9.999 1.00 64.13 N ATOM 339 CA LEU A1076 -2.445 -32.128 9.280 1.00 10.22 C ATOM 340 C LEU A1076 -1.902 -33.275 8.434 1.00 33.12 C ATOM 341 O LEU A1076 -2.512 -34.342 8.350 1.00 74.51 O ATOM 342 CB LEU A1076 -3.190 -31.131 8.391 1.00 74.12 C ATOM 343 CG LEU A1076 -4.508 -30.590 8.947 1.00 30.32 C ATOM 344 CD1 LEU A1076 -4.286 -29.930 10.298 1.00 24.24 C ATOM 345 CD2 LEU A1076 -5.136 -29.608 7.969 1.00 61.43 C ATOM 0 H LEU A1076 -1.137 -30.530 9.641 1.00 64.13 H new ATOM 0 HA LEU A1076 -3.138 -32.539 10.014 1.00 10.22 H new ATOM 0 HB2 LEU A1076 -2.529 -30.287 8.193 1.00 74.12 H new ATOM 0 HB3 LEU A1076 -3.392 -31.610 7.433 1.00 74.12 H new ATOM 0 HG LEU A1076 -5.194 -31.426 9.082 1.00 30.32 H new ATOM 0 HD11 LEU A1076 -5.235 -29.551 10.678 1.00 24.24 H new ATOM 0 HD12 LEU A1076 -3.881 -30.661 10.998 1.00 24.24 H new ATOM 0 HD13 LEU A1076 -3.583 -29.104 10.188 1.00 24.24 H new ATOM 0 HD21 LEU A1076 -6.073 -29.233 8.381 1.00 61.43 H new ATOM 0 HD22 LEU A1076 -4.454 -28.774 7.802 1.00 61.43 H new ATOM 0 HD23 LEU A1076 -5.332 -30.112 7.023 1.00 61.43 H new ATOM 357 N LEU A1077 -0.752 -33.050 7.810 1.00 60.43 N ATOM 358 CA LEU A1077 -0.123 -34.066 6.971 1.00 12.53 C ATOM 359 C LEU A1077 0.354 -35.245 7.811 1.00 21.31 C ATOM 360 O LEU A1077 0.247 -36.401 7.397 1.00 54.45 O ATOM 361 CB LEU A1077 1.052 -33.464 6.200 1.00 44.23 C ATOM 362 CG LEU A1077 0.716 -32.835 4.847 1.00 25.32 C ATOM 363 CD1 LEU A1077 1.902 -32.044 4.317 1.00 21.03 C ATOM 364 CD2 LEU A1077 0.299 -33.907 3.851 1.00 25.41 C ATOM 0 H LEU A1077 -0.235 -32.173 7.868 1.00 60.43 H new ATOM 0 HA LEU A1077 -0.867 -34.427 6.261 1.00 12.53 H new ATOM 0 HB2 LEU A1077 1.519 -32.704 6.825 1.00 44.23 H new ATOM 0 HB3 LEU A1077 1.794 -34.246 6.040 1.00 44.23 H new ATOM 0 HG LEU A1077 -0.120 -32.149 4.983 1.00 25.32 H new ATOM 0 HD11 LEU A1077 1.644 -31.604 3.354 1.00 21.03 H new ATOM 0 HD12 LEU A1077 2.155 -31.252 5.022 1.00 21.03 H new ATOM 0 HD13 LEU A1077 2.757 -32.709 4.195 1.00 21.03 H new ATOM 0 HD21 LEU A1077 0.063 -33.442 2.894 1.00 25.41 H new ATOM 0 HD22 LEU A1077 1.115 -34.618 3.718 1.00 25.41 H new ATOM 0 HD23 LEU A1077 -0.580 -34.430 4.226 1.00 25.41 H new ATOM 376 N LEU A1078 0.881 -34.948 8.993 1.00 2.52 N ATOM 377 CA LEU A1078 1.375 -35.985 9.894 1.00 40.03 C ATOM 378 C LEU A1078 0.218 -36.748 10.532 1.00 53.24 C ATOM 379 O LEU A1078 0.366 -37.906 10.924 1.00 73.03 O ATOM 380 CB LEU A1078 2.254 -35.366 10.983 1.00 73.23 C ATOM 381 CG LEU A1078 3.759 -35.374 10.713 1.00 3.12 C ATOM 382 CD1 LEU A1078 4.060 -34.783 9.345 1.00 45.35 C ATOM 383 CD2 LEU A1078 4.499 -34.609 11.801 1.00 22.13 C ATOM 0 H LEU A1078 0.978 -33.998 9.351 1.00 2.52 H new ATOM 0 HA LEU A1078 1.971 -36.686 9.309 1.00 40.03 H new ATOM 0 HB2 LEU A1078 1.937 -34.334 11.135 1.00 73.23 H new ATOM 0 HB3 LEU A1078 2.069 -35.897 11.917 1.00 73.23 H new ATOM 0 HG LEU A1078 4.105 -36.408 10.723 1.00 3.12 H new ATOM 0 HD11 LEU A1078 5.136 -34.797 9.171 1.00 45.35 H new ATOM 0 HD12 LEU A1078 3.560 -35.372 8.576 1.00 45.35 H new ATOM 0 HD13 LEU A1078 3.700 -33.755 9.306 1.00 45.35 H new ATOM 0 HD21 LEU A1078 5.569 -34.625 11.593 1.00 22.13 H new ATOM 0 HD22 LEU A1078 4.149 -33.577 11.823 1.00 22.13 H new ATOM 0 HD23 LEU A1078 4.310 -35.077 12.767 1.00 22.13 H new ATOM 395 N LEU A1079 -0.934 -36.092 10.630 1.00 65.11 N ATOM 396 CA LEU A1079 -2.117 -36.709 11.218 1.00 3.11 C ATOM 397 C LEU A1079 -2.761 -37.690 10.243 1.00 42.14 C ATOM 398 O LEU A1079 -3.271 -38.738 10.644 1.00 44.24 O ATOM 399 CB LEU A1079 -3.129 -35.636 11.622 1.00 24.02 C ATOM 400 CG LEU A1079 -4.302 -36.108 12.482 1.00 31.20 C ATOM 401 CD1 LEU A1079 -4.870 -34.953 13.290 1.00 12.33 C ATOM 402 CD2 LEU A1079 -5.382 -36.735 11.612 1.00 3.24 C ATOM 0 H LEU A1079 -1.073 -35.134 10.310 1.00 65.11 H new ATOM 0 HA LEU A1079 -1.806 -37.259 12.106 1.00 3.11 H new ATOM 0 HB2 LEU A1079 -2.600 -34.852 12.164 1.00 24.02 H new ATOM 0 HB3 LEU A1079 -3.529 -35.183 10.715 1.00 24.02 H new ATOM 0 HG LEU A1079 -3.937 -36.865 13.176 1.00 31.20 H new ATOM 0 HD11 LEU A1079 -5.704 -35.308 13.896 1.00 12.33 H new ATOM 0 HD12 LEU A1079 -4.095 -34.548 13.941 1.00 12.33 H new ATOM 0 HD13 LEU A1079 -5.219 -34.173 12.614 1.00 12.33 H new ATOM 0 HD21 LEU A1079 -6.209 -37.065 12.240 1.00 3.24 H new ATOM 0 HD22 LEU A1079 -5.743 -35.999 10.894 1.00 3.24 H new ATOM 0 HD23 LEU A1079 -4.968 -37.590 11.078 1.00 3.24 H new ATOM 414 N LEU A1080 -2.734 -37.345 8.961 1.00 41.44 N ATOM 415 CA LEU A1080 -3.313 -38.195 7.927 1.00 74.32 C ATOM 416 C LEU A1080 -2.416 -39.396 7.644 1.00 74.51 C ATOM 417 O LEU A1080 -2.900 -40.493 7.362 1.00 55.12 O ATOM 418 CB LEU A1080 -3.531 -37.394 6.642 1.00 13.22 C ATOM 419 CG LEU A1080 -4.575 -36.278 6.716 1.00 32.44 C ATOM 420 CD1 LEU A1080 -4.399 -35.304 5.561 1.00 32.34 C ATOM 421 CD2 LEU A1080 -5.981 -36.864 6.713 1.00 44.55 C ATOM 0 H LEU A1080 -2.317 -36.482 8.612 1.00 41.44 H new ATOM 0 HA LEU A1080 -4.275 -38.559 8.288 1.00 74.32 H new ATOM 0 HB2 LEU A1080 -2.579 -36.954 6.346 1.00 13.22 H new ATOM 0 HB3 LEU A1080 -3.823 -38.085 5.852 1.00 13.22 H new ATOM 0 HG LEU A1080 -4.431 -35.732 7.649 1.00 32.44 H new ATOM 0 HD11 LEU A1080 -5.150 -34.517 5.631 1.00 32.34 H new ATOM 0 HD12 LEU A1080 -3.404 -34.861 5.607 1.00 32.34 H new ATOM 0 HD13 LEU A1080 -4.516 -35.835 4.616 1.00 32.34 H new ATOM 0 HD21 LEU A1080 -6.712 -36.057 6.766 1.00 44.55 H new ATOM 0 HD22 LEU A1080 -6.136 -37.434 5.797 1.00 44.55 H new ATOM 0 HD23 LEU A1080 -6.103 -37.521 7.574 1.00 44.55 H new ATOM 433 N LEU A1081 -1.108 -39.182 7.723 1.00 5.44 N ATOM 434 CA LEU A1081 -0.142 -40.248 7.479 1.00 31.25 C ATOM 435 C LEU A1081 -0.041 -41.179 8.682 1.00 12.44 C ATOM 436 O LEU A1081 0.155 -42.385 8.532 1.00 34.54 O ATOM 437 CB LEU A1081 1.233 -39.655 7.163 1.00 74.02 C ATOM 438 CG LEU A1081 2.243 -39.652 8.312 1.00 55.43 C ATOM 439 CD1 LEU A1081 2.915 -41.009 8.435 1.00 24.40 C ATOM 440 CD2 LEU A1081 3.279 -38.557 8.106 1.00 12.10 C ATOM 0 H LEU A1081 -0.691 -38.280 7.954 1.00 5.44 H new ATOM 0 HA LEU A1081 -0.488 -40.827 6.623 1.00 31.25 H new ATOM 0 HB2 LEU A1081 1.663 -40.210 6.329 1.00 74.02 H new ATOM 0 HB3 LEU A1081 1.095 -38.628 6.825 1.00 74.02 H new ATOM 0 HG LEU A1081 1.709 -39.450 9.241 1.00 55.43 H new ATOM 0 HD11 LEU A1081 3.630 -40.988 9.257 1.00 24.40 H new ATOM 0 HD12 LEU A1081 2.161 -41.772 8.629 1.00 24.40 H new ATOM 0 HD13 LEU A1081 3.437 -41.242 7.507 1.00 24.40 H new ATOM 0 HD21 LEU A1081 3.990 -38.569 8.932 1.00 12.10 H new ATOM 0 HD22 LEU A1081 3.809 -38.729 7.169 1.00 12.10 H new ATOM 0 HD23 LEU A1081 2.782 -37.588 8.069 1.00 12.10 H new ATOM 452 N ILE A1082 -0.179 -40.612 9.876 1.00 13.11 N ATOM 453 CA ILE A1082 -0.108 -41.393 11.106 1.00 41.33 C ATOM 454 C ILE A1082 -1.347 -42.264 11.276 1.00 35.35 C ATOM 455 O ILE A1082 -1.274 -43.369 11.814 1.00 64.11 O ATOM 456 CB ILE A1082 0.041 -40.485 12.341 1.00 32.13 C ATOM 457 CG1 ILE A1082 1.494 -40.035 12.497 1.00 25.32 C ATOM 458 CG2 ILE A1082 -0.433 -41.210 13.592 1.00 63.40 C ATOM 459 CD1 ILE A1082 1.654 -38.790 13.343 1.00 61.34 C ATOM 0 H ILE A1082 -0.341 -39.615 10.018 1.00 13.11 H new ATOM 0 HA ILE A1082 0.773 -42.030 11.025 1.00 41.33 H new ATOM 0 HB ILE A1082 -0.580 -39.600 12.201 1.00 32.13 H new ATOM 0 HG12 ILE A1082 2.071 -40.845 12.944 1.00 25.32 H new ATOM 0 HG13 ILE A1082 1.917 -39.850 11.509 1.00 25.32 H new ATOM 0 HG21 ILE A1082 -0.321 -40.555 14.456 1.00 63.40 H new ATOM 0 HG22 ILE A1082 -1.482 -41.485 13.478 1.00 63.40 H new ATOM 0 HG23 ILE A1082 0.164 -42.110 13.739 1.00 63.40 H new ATOM 0 HD11 ILE A1082 2.710 -38.529 13.410 1.00 61.34 H new ATOM 0 HD12 ILE A1082 1.105 -37.967 12.886 1.00 61.34 H new ATOM 0 HD13 ILE A1082 1.262 -38.977 14.343 1.00 61.34 H new ATOM 471 N PHE A1083 -2.487 -41.761 10.812 1.00 21.03 N ATOM 472 CA PHE A1083 -3.743 -42.494 10.912 1.00 33.00 C ATOM 473 C PHE A1083 -3.778 -43.653 9.920 1.00 61.13 C ATOM 474 O PHE A1083 -4.275 -44.735 10.230 1.00 52.10 O ATOM 475 CB PHE A1083 -4.927 -41.557 10.661 1.00 22.53 C ATOM 476 CG PHE A1083 -5.476 -40.937 11.914 1.00 35.33 C ATOM 477 CD1 PHE A1083 -4.627 -40.407 12.872 1.00 73.54 C ATOM 478 CD2 PHE A1083 -6.843 -40.884 12.134 1.00 35.23 C ATOM 479 CE1 PHE A1083 -5.130 -39.837 14.025 1.00 22.24 C ATOM 480 CE2 PHE A1083 -7.353 -40.315 13.286 1.00 13.31 C ATOM 481 CZ PHE A1083 -6.495 -39.790 14.232 1.00 13.01 C ATOM 0 H PHE A1083 -2.566 -40.849 10.363 1.00 21.03 H new ATOM 0 HA PHE A1083 -3.817 -42.900 11.921 1.00 33.00 H new ATOM 0 HB2 PHE A1083 -4.616 -40.765 9.980 1.00 22.53 H new ATOM 0 HB3 PHE A1083 -5.721 -42.113 10.162 1.00 22.53 H new ATOM 0 HD1 PHE A1083 -3.559 -40.440 12.715 1.00 73.54 H new ATOM 0 HD2 PHE A1083 -7.518 -41.292 11.397 1.00 35.23 H new ATOM 0 HE1 PHE A1083 -4.457 -39.428 14.764 1.00 22.24 H new ATOM 0 HE2 PHE A1083 -8.421 -40.281 13.446 1.00 13.31 H new ATOM 0 HZ PHE A1083 -6.890 -39.343 15.132 1.00 13.01 H new ATOM 491 N ILE A1084 -3.245 -43.415 8.725 1.00 34.55 N ATOM 492 CA ILE A1084 -3.214 -44.439 7.687 1.00 13.31 C ATOM 493 C ILE A1084 -2.125 -45.470 7.963 1.00 52.30 C ATOM 494 O ILE A1084 -2.292 -46.656 7.681 1.00 53.31 O ATOM 495 CB ILE A1084 -2.981 -43.821 6.295 1.00 34.11 C ATOM 496 CG1 ILE A1084 -4.160 -42.927 5.906 1.00 61.14 C ATOM 497 CG2 ILE A1084 -2.775 -44.915 5.258 1.00 24.05 C ATOM 498 CD1 ILE A1084 -3.986 -42.248 4.565 1.00 72.52 C ATOM 0 H ILE A1084 -2.830 -42.524 8.452 1.00 34.55 H new ATOM 0 HA ILE A1084 -4.187 -44.931 7.699 1.00 13.31 H new ATOM 0 HB ILE A1084 -2.081 -43.208 6.332 1.00 34.11 H new ATOM 0 HG12 ILE A1084 -5.070 -43.527 5.885 1.00 61.14 H new ATOM 0 HG13 ILE A1084 -4.298 -42.166 6.674 1.00 61.14 H new ATOM 0 HG21 ILE A1084 -2.612 -44.463 4.280 1.00 24.05 H new ATOM 0 HG22 ILE A1084 -1.907 -45.515 5.530 1.00 24.05 H new ATOM 0 HG23 ILE A1084 -3.659 -45.552 5.220 1.00 24.05 H new ATOM 0 HD11 ILE A1084 -4.859 -41.631 4.354 1.00 72.52 H new ATOM 0 HD12 ILE A1084 -3.095 -41.621 4.588 1.00 72.52 H new ATOM 0 HD13 ILE A1084 -3.879 -43.003 3.786 1.00 72.52 H new ATOM 510 N VAL A1085 -1.009 -45.008 8.518 1.00 34.13 N ATOM 511 CA VAL A1085 0.107 -45.890 8.835 1.00 22.35 C ATOM 512 C VAL A1085 -0.244 -46.831 9.983 1.00 43.02 C ATOM 513 O VAL A1085 0.263 -47.951 10.060 1.00 35.02 O ATOM 514 CB VAL A1085 1.367 -45.088 9.211 1.00 10.23 C ATOM 515 CG1 VAL A1085 2.358 -45.968 9.958 1.00 54.41 C ATOM 516 CG2 VAL A1085 2.007 -44.487 7.969 1.00 73.55 C ATOM 0 H VAL A1085 -0.854 -44.029 8.757 1.00 34.13 H new ATOM 0 HA VAL A1085 0.312 -46.476 7.939 1.00 22.35 H new ATOM 0 HB VAL A1085 1.073 -44.272 9.871 1.00 10.23 H new ATOM 0 HG11 VAL A1085 3.242 -45.384 10.215 1.00 54.41 H new ATOM 0 HG12 VAL A1085 1.894 -46.345 10.870 1.00 54.41 H new ATOM 0 HG13 VAL A1085 2.649 -46.806 9.325 1.00 54.41 H new ATOM 0 HG21 VAL A1085 2.896 -43.924 8.254 1.00 73.55 H new ATOM 0 HG22 VAL A1085 2.288 -45.285 7.282 1.00 73.55 H new ATOM 0 HG23 VAL A1085 1.297 -43.821 7.480 1.00 73.55 H new ATOM 526 N LEU A1086 -1.115 -46.369 10.873 1.00 40.32 N ATOM 527 CA LEU A1086 -1.536 -47.169 12.018 1.00 34.20 C ATOM 528 C LEU A1086 -2.679 -48.105 11.638 1.00 64.42 C ATOM 529 O LEU A1086 -2.812 -49.196 12.193 1.00 41.50 O ATOM 530 CB LEU A1086 -1.969 -46.260 13.169 1.00 51.30 C ATOM 531 CG LEU A1086 -0.846 -45.532 13.909 1.00 21.15 C ATOM 532 CD1 LEU A1086 -1.419 -44.601 14.966 1.00 64.13 C ATOM 533 CD2 LEU A1086 0.112 -46.532 14.539 1.00 4.23 C ATOM 0 H LEU A1086 -1.544 -45.445 10.824 1.00 40.32 H new ATOM 0 HA LEU A1086 -0.687 -47.773 12.339 1.00 34.20 H new ATOM 0 HB2 LEU A1086 -2.661 -45.515 12.776 1.00 51.30 H new ATOM 0 HB3 LEU A1086 -2.523 -46.860 13.891 1.00 51.30 H new ATOM 0 HG LEU A1086 -0.291 -44.931 13.188 1.00 21.15 H new ATOM 0 HD11 LEU A1086 -0.605 -44.092 15.482 1.00 64.13 H new ATOM 0 HD12 LEU A1086 -2.065 -43.863 14.490 1.00 64.13 H new ATOM 0 HD13 LEU A1086 -1.999 -45.180 15.685 1.00 64.13 H new ATOM 0 HD21 LEU A1086 0.905 -45.997 15.061 1.00 4.23 H new ATOM 0 HD22 LEU A1086 -0.430 -47.159 15.247 1.00 4.23 H new ATOM 0 HD23 LEU A1086 0.549 -47.158 13.761 1.00 4.23 H new ATOM 545 N TYR A1087 -3.498 -47.674 10.686 1.00 72.34 N ATOM 546 CA TYR A1087 -4.629 -48.474 10.230 1.00 43.23 C ATOM 547 C TYR A1087 -4.175 -49.549 9.247 1.00 52.34 C ATOM 548 O TYR A1087 -4.895 -50.514 8.988 1.00 62.21 O ATOM 549 CB TYR A1087 -5.682 -47.579 9.575 1.00 75.21 C ATOM 550 CG TYR A1087 -6.163 -48.090 8.236 1.00 71.23 C ATOM 551 CD1 TYR A1087 -5.478 -47.784 7.066 1.00 31.01 C ATOM 552 CD2 TYR A1087 -7.302 -48.879 8.139 1.00 34.53 C ATOM 553 CE1 TYR A1087 -5.914 -48.248 5.840 1.00 2.24 C ATOM 554 CE2 TYR A1087 -7.744 -49.349 6.918 1.00 73.22 C ATOM 555 CZ TYR A1087 -7.047 -49.031 5.772 1.00 71.20 C ATOM 556 OH TYR A1087 -7.486 -49.496 4.553 1.00 64.01 O ATOM 0 H TYR A1087 -3.400 -46.775 10.215 1.00 72.34 H new ATOM 0 HA TYR A1087 -5.068 -48.965 11.099 1.00 43.23 H new ATOM 0 HB2 TYR A1087 -6.535 -47.485 10.247 1.00 75.21 H new ATOM 0 HB3 TYR A1087 -5.267 -46.579 9.445 1.00 75.21 H new ATOM 0 HD1 TYR A1087 -4.589 -47.173 7.116 1.00 31.01 H new ATOM 0 HD2 TYR A1087 -7.852 -49.129 9.034 1.00 34.53 H new ATOM 0 HE1 TYR A1087 -5.371 -47.999 4.940 1.00 2.24 H new ATOM 0 HE2 TYR A1087 -8.631 -49.962 6.861 1.00 73.22 H new ATOM 0 HH TYR A1087 -8.296 -50.033 4.680 1.00 64.01 H new ATOM 566 N LYS A1088 -2.976 -49.375 8.702 1.00 13.31 N ATOM 567 CA LYS A1088 -2.423 -50.329 7.748 1.00 3.12 C ATOM 568 C LYS A1088 -1.388 -51.229 8.416 1.00 1.42 C ATOM 569 O LYS A1088 -1.129 -52.341 7.957 1.00 12.44 O ATOM 570 CB LYS A1088 -1.785 -49.590 6.569 1.00 31.30 C ATOM 571 CG LYS A1088 -0.466 -48.921 6.911 1.00 23.31 C ATOM 572 CD LYS A1088 -0.016 -47.978 5.808 1.00 35.02 C ATOM 573 CE LYS A1088 0.503 -48.741 4.599 1.00 32.32 C ATOM 574 NZ LYS A1088 1.714 -49.543 4.926 1.00 41.23 N ATOM 0 H LYS A1088 -2.368 -48.581 8.905 1.00 13.31 H new ATOM 0 HA LYS A1088 -3.239 -50.952 7.381 1.00 3.12 H new ATOM 0 HB2 LYS A1088 -1.624 -50.295 5.754 1.00 31.30 H new ATOM 0 HB3 LYS A1088 -2.482 -48.835 6.205 1.00 31.30 H new ATOM 0 HG2 LYS A1088 -0.569 -48.368 7.844 1.00 23.31 H new ATOM 0 HG3 LYS A1088 0.297 -49.682 7.074 1.00 23.31 H new ATOM 0 HD2 LYS A1088 -0.850 -47.343 5.508 1.00 35.02 H new ATOM 0 HD3 LYS A1088 0.766 -47.320 6.187 1.00 35.02 H new ATOM 0 HE2 LYS A1088 -0.279 -49.401 4.223 1.00 32.32 H new ATOM 0 HE3 LYS A1088 0.738 -48.038 3.800 1.00 32.32 H new ATOM 0 HZ1 LYS A1088 2.237 -49.753 4.052 1.00 41.23 H new ATOM 0 HZ2 LYS A1088 2.323 -49.003 5.573 1.00 41.23 H new ATOM 0 HZ3 LYS A1088 1.428 -50.433 5.381 1.00 41.23 H new ATOM 588 N VAL A1089 -0.802 -50.741 9.506 1.00 70.41 N ATOM 589 CA VAL A1089 0.202 -51.503 10.239 1.00 43.14 C ATOM 590 C VAL A1089 -0.446 -52.587 11.092 1.00 11.11 C ATOM 591 O VAL A1089 0.132 -53.652 11.306 1.00 43.51 O ATOM 592 CB VAL A1089 1.048 -50.590 11.145 1.00 41.34 C ATOM 593 CG1 VAL A1089 1.505 -51.341 12.386 1.00 30.13 C ATOM 594 CG2 VAL A1089 2.240 -50.036 10.379 1.00 43.41 C ATOM 0 H VAL A1089 -1.005 -49.822 9.900 1.00 70.41 H new ATOM 0 HA VAL A1089 0.851 -51.968 9.497 1.00 43.14 H new ATOM 0 HB VAL A1089 0.428 -49.752 11.465 1.00 41.34 H new ATOM 0 HG11 VAL A1089 2.101 -50.678 13.013 1.00 30.13 H new ATOM 0 HG12 VAL A1089 0.634 -51.684 12.945 1.00 30.13 H new ATOM 0 HG13 VAL A1089 2.107 -52.200 12.090 1.00 30.13 H new ATOM 0 HG21 VAL A1089 2.827 -49.393 11.035 1.00 43.41 H new ATOM 0 HG22 VAL A1089 2.861 -50.860 10.028 1.00 43.41 H new ATOM 0 HG23 VAL A1089 1.887 -49.458 9.525 1.00 43.41 H new ATOM 604 N GLY A1090 -1.652 -52.309 11.577 1.00 31.01 N ATOM 605 CA GLY A1090 -2.360 -53.271 12.402 1.00 21.32 C ATOM 606 C GLY A1090 -2.818 -52.679 13.720 1.00 23.13 C ATOM 607 O GLY A1090 -3.676 -53.244 14.398 1.00 72.21 O ATOM 0 H GLY A1090 -2.152 -51.435 11.414 1.00 31.01 H new ATOM 0 HA2 GLY A1090 -3.225 -53.646 11.856 1.00 21.32 H new ATOM 0 HA3 GLY A1090 -1.711 -54.125 12.597 1.00 21.32 H new ATOM 611 N PHE A1091 -2.244 -51.538 14.086 1.00 54.34 N ATOM 612 CA PHE A1091 -2.597 -50.869 15.332 1.00 24.35 C ATOM 613 C PHE A1091 -4.109 -50.695 15.448 1.00 61.43 C ATOM 614 O PHE A1091 -4.735 -51.210 16.374 1.00 40.22 O ATOM 615 CB PHE A1091 -1.907 -49.507 15.419 1.00 44.43 C ATOM 616 CG PHE A1091 -2.046 -48.847 16.761 1.00 14.31 C ATOM 617 CD1 PHE A1091 -1.441 -49.392 17.881 1.00 22.23 C ATOM 618 CD2 PHE A1091 -2.785 -47.683 16.903 1.00 23.32 C ATOM 619 CE1 PHE A1091 -1.567 -48.788 19.119 1.00 72.05 C ATOM 620 CE2 PHE A1091 -2.914 -47.074 18.137 1.00 13.21 C ATOM 621 CZ PHE A1091 -2.306 -47.628 19.246 1.00 4.23 C ATOM 0 H PHE A1091 -1.532 -51.057 13.537 1.00 54.34 H new ATOM 0 HA PHE A1091 -2.257 -51.493 16.158 1.00 24.35 H new ATOM 0 HB2 PHE A1091 -0.848 -49.630 15.192 1.00 44.43 H new ATOM 0 HB3 PHE A1091 -2.322 -48.849 14.655 1.00 44.43 H new ATOM 0 HD1 PHE A1091 -0.864 -50.300 17.787 1.00 22.23 H new ATOM 0 HD2 PHE A1091 -3.265 -47.247 16.040 1.00 23.32 H new ATOM 0 HE1 PHE A1091 -1.089 -49.222 19.984 1.00 72.05 H new ATOM 0 HE2 PHE A1091 -3.490 -46.166 18.234 1.00 13.21 H new ATOM 0 HZ PHE A1091 -2.408 -47.155 20.211 1.00 4.23 H new ATOM 631 N PHE A1092 -4.688 -49.965 14.501 1.00 63.34 N ATOM 632 CA PHE A1092 -6.125 -49.721 14.495 1.00 44.41 C ATOM 633 C PHE A1092 -6.871 -50.875 13.832 1.00 24.30 C ATOM 634 O PHE A1092 -8.096 -50.849 13.707 1.00 5.21 O ATOM 635 CB PHE A1092 -6.439 -48.412 13.768 1.00 10.42 C ATOM 636 CG PHE A1092 -6.421 -47.208 14.666 1.00 13.33 C ATOM 637 CD1 PHE A1092 -7.447 -46.988 15.572 1.00 71.33 C ATOM 638 CD2 PHE A1092 -5.380 -46.297 14.605 1.00 4.12 C ATOM 639 CE1 PHE A1092 -7.433 -45.880 16.398 1.00 31.13 C ATOM 640 CE2 PHE A1092 -5.361 -45.187 15.430 1.00 22.21 C ATOM 641 CZ PHE A1092 -6.388 -44.980 16.329 1.00 74.44 C ATOM 0 H PHE A1092 -4.184 -49.532 13.727 1.00 63.34 H new ATOM 0 HA PHE A1092 -6.458 -49.643 15.530 1.00 44.41 H new ATOM 0 HB2 PHE A1092 -5.715 -48.268 12.966 1.00 10.42 H new ATOM 0 HB3 PHE A1092 -7.420 -48.492 13.300 1.00 10.42 H new ATOM 0 HD1 PHE A1092 -8.266 -47.690 15.633 1.00 71.33 H new ATOM 0 HD2 PHE A1092 -4.573 -46.455 13.905 1.00 4.12 H new ATOM 0 HE1 PHE A1092 -8.240 -45.718 17.098 1.00 31.13 H new ATOM 0 HE2 PHE A1092 -4.544 -44.483 15.371 1.00 22.21 H new ATOM 0 HZ PHE A1092 -6.374 -44.116 16.977 1.00 74.44 H new ATOM 651 N LYS A1093 -6.123 -51.889 13.408 1.00 50.32 N ATOM 652 CA LYS A1093 -6.710 -53.054 12.758 1.00 30.13 C ATOM 653 C LYS A1093 -6.938 -54.180 13.762 1.00 65.51 C ATOM 654 O LYS A1093 -6.535 -54.081 14.922 1.00 73.53 O ATOM 655 CB LYS A1093 -5.806 -53.541 11.625 1.00 21.32 C ATOM 656 CG LYS A1093 -6.562 -54.194 10.480 1.00 55.45 C ATOM 657 CD LYS A1093 -6.353 -53.444 9.175 1.00 61.23 C ATOM 658 CE LYS A1093 -6.818 -54.263 7.981 1.00 24.54 C ATOM 659 NZ LYS A1093 -6.223 -53.774 6.707 1.00 64.41 N ATOM 0 H LYS A1093 -5.108 -51.927 13.503 1.00 50.32 H new ATOM 0 HA LYS A1093 -7.674 -52.760 12.343 1.00 30.13 H new ATOM 0 HB2 LYS A1093 -5.236 -52.696 11.238 1.00 21.32 H new ATOM 0 HB3 LYS A1093 -5.086 -54.254 12.027 1.00 21.32 H new ATOM 0 HG2 LYS A1093 -6.230 -55.226 10.365 1.00 55.45 H new ATOM 0 HG3 LYS A1093 -7.626 -54.226 10.716 1.00 55.45 H new ATOM 0 HD2 LYS A1093 -6.898 -52.501 9.205 1.00 61.23 H new ATOM 0 HD3 LYS A1093 -5.297 -53.199 9.060 1.00 61.23 H new ATOM 0 HE2 LYS A1093 -6.548 -55.308 8.130 1.00 24.54 H new ATOM 0 HE3 LYS A1093 -7.905 -54.221 7.913 1.00 24.54 H new ATOM 0 HZ1 LYS A1093 -6.565 -54.358 5.917 1.00 64.41 H new ATOM 0 HZ2 LYS A1093 -6.502 -52.784 6.551 1.00 64.41 H new ATOM 0 HZ3 LYS A1093 -5.186 -53.837 6.761 1.00 64.41 H new ATOM 673 N ARG A1094 -7.582 -55.250 13.309 1.00 13.21 N ATOM 674 CA ARG A1094 -7.862 -56.394 14.168 1.00 34.31 C ATOM 675 C ARG A1094 -6.575 -57.131 14.528 1.00 50.12 C ATOM 676 O ARG A1094 -6.053 -57.912 13.735 1.00 61.11 O ATOM 677 CB ARG A1094 -8.834 -57.352 13.476 1.00 41.11 C ATOM 678 CG ARG A1094 -10.178 -56.724 13.146 1.00 2.23 C ATOM 679 CD ARG A1094 -11.015 -56.511 14.398 1.00 34.42 C ATOM 680 NE ARG A1094 -11.333 -57.771 15.064 1.00 52.03 N ATOM 681 CZ ARG A1094 -12.253 -57.888 16.016 1.00 71.33 C ATOM 682 NH1 ARG A1094 -12.942 -56.826 16.411 1.00 64.21 N ATOM 683 NH2 ARG A1094 -12.485 -59.069 16.575 1.00 60.24 N ATOM 0 H ARG A1094 -7.920 -55.349 12.352 1.00 13.21 H new ATOM 0 HA ARG A1094 -8.318 -56.024 15.086 1.00 34.31 H new ATOM 0 HB2 ARG A1094 -8.378 -57.717 12.556 1.00 41.11 H new ATOM 0 HB3 ARG A1094 -8.995 -58.218 14.117 1.00 41.11 H new ATOM 0 HG2 ARG A1094 -10.021 -55.769 12.645 1.00 2.23 H new ATOM 0 HG3 ARG A1094 -10.719 -57.365 12.450 1.00 2.23 H new ATOM 0 HD2 ARG A1094 -10.476 -55.862 15.088 1.00 34.42 H new ATOM 0 HD3 ARG A1094 -11.939 -55.997 14.133 1.00 34.42 H new ATOM 0 HE ARG A1094 -10.821 -58.607 14.783 1.00 52.03 H new ATOM 0 HH11 ARG A1094 -12.766 -55.916 15.984 1.00 64.21 H new ATOM 0 HH12 ARG A1094 -13.647 -56.919 17.142 1.00 64.21 H new ATOM 0 HH21 ARG A1094 -11.957 -59.888 16.274 1.00 60.24 H new ATOM 0 HH22 ARG A1094 -13.191 -59.158 17.306 1.00 60.24 H new ATOM 697 N ASN A1095 -6.071 -56.874 15.731 1.00 41.02 N ATOM 698 CA ASN A1095 -4.844 -57.512 16.196 1.00 42.13 C ATOM 699 C ASN A1095 -4.711 -57.394 17.711 1.00 61.22 C ATOM 700 O ASN A1095 -5.297 -56.505 18.330 1.00 51.45 O ATOM 701 CB ASN A1095 -3.627 -56.882 15.515 1.00 2.35 C ATOM 702 CG ASN A1095 -2.467 -57.851 15.393 1.00 23.31 C ATOM 703 OD1 ASN A1095 -1.543 -57.836 16.206 1.00 43.50 O ATOM 704 ND2 ASN A1095 -2.511 -58.701 14.373 1.00 5.21 N ATOM 0 H ASN A1095 -6.492 -56.230 16.400 1.00 41.02 H new ATOM 0 HA ASN A1095 -4.891 -58.569 15.934 1.00 42.13 H new ATOM 0 HB2 ASN A1095 -3.910 -56.532 14.522 1.00 2.35 H new ATOM 0 HB3 ASN A1095 -3.308 -56.008 16.083 1.00 2.35 H new ATOM 0 HD21 ASN A1095 -1.759 -59.377 14.240 1.00 5.21 H new ATOM 0 HD22 ASN A1095 -3.297 -58.678 13.723 1.00 5.21 H new ATOM 711 N LEU A1096 -3.937 -58.297 18.304 1.00 50.44 N ATOM 712 CA LEU A1096 -3.725 -58.294 19.747 1.00 2.00 C ATOM 713 C LEU A1096 -2.684 -57.251 20.143 1.00 32.35 C ATOM 714 O LEU A1096 -1.597 -57.194 19.568 1.00 1.45 O ATOM 715 CB LEU A1096 -3.282 -59.680 20.219 1.00 44.44 C ATOM 716 CG LEU A1096 -3.442 -59.962 21.714 1.00 32.54 C ATOM 717 CD1 LEU A1096 -3.618 -61.453 21.958 1.00 4.23 C ATOM 718 CD2 LEU A1096 -2.245 -59.431 22.489 1.00 14.51 C ATOM 0 H LEU A1096 -3.446 -59.040 17.807 1.00 50.44 H new ATOM 0 HA LEU A1096 -4.669 -58.038 20.228 1.00 2.00 H new ATOM 0 HB2 LEU A1096 -3.849 -60.429 19.666 1.00 44.44 H new ATOM 0 HB3 LEU A1096 -2.233 -59.814 19.954 1.00 44.44 H new ATOM 0 HG LEU A1096 -4.335 -59.447 22.068 1.00 32.54 H new ATOM 0 HD11 LEU A1096 -3.730 -61.636 23.027 1.00 4.23 H new ATOM 0 HD12 LEU A1096 -4.507 -61.805 21.434 1.00 4.23 H new ATOM 0 HD13 LEU A1096 -2.743 -61.988 21.588 1.00 4.23 H new ATOM 0 HD21 LEU A1096 -2.377 -59.641 23.550 1.00 14.51 H new ATOM 0 HD22 LEU A1096 -1.337 -59.917 22.133 1.00 14.51 H new ATOM 0 HD23 LEU A1096 -2.163 -58.354 22.339 1.00 14.51 H new ATOM 730 N LYS A1097 -3.025 -56.430 21.131 1.00 64.30 N ATOM 731 CA LYS A1097 -2.119 -55.391 21.608 1.00 33.34 C ATOM 732 C LYS A1097 -2.390 -55.064 23.073 1.00 51.03 C ATOM 733 O LYS A1097 -3.508 -55.234 23.558 1.00 4.13 O ATOM 734 CB LYS A1097 -2.266 -54.127 20.756 1.00 20.42 C ATOM 735 CG LYS A1097 -3.704 -53.667 20.594 1.00 65.54 C ATOM 736 CD LYS A1097 -3.790 -52.382 19.788 1.00 53.32 C ATOM 737 CE LYS A1097 -5.228 -52.047 19.425 1.00 54.12 C ATOM 738 NZ LYS A1097 -5.411 -50.592 19.166 1.00 12.25 N ATOM 0 H LYS A1097 -3.921 -56.464 21.617 1.00 64.30 H new ATOM 0 HA LYS A1097 -1.099 -55.764 21.520 1.00 33.34 H new ATOM 0 HB2 LYS A1097 -1.685 -53.324 21.209 1.00 20.42 H new ATOM 0 HB3 LYS A1097 -1.839 -54.312 19.770 1.00 20.42 H new ATOM 0 HG2 LYS A1097 -4.283 -54.447 20.100 1.00 65.54 H new ATOM 0 HG3 LYS A1097 -4.150 -53.512 21.576 1.00 65.54 H new ATOM 0 HD2 LYS A1097 -3.358 -51.562 20.362 1.00 53.32 H new ATOM 0 HD3 LYS A1097 -3.198 -52.482 18.878 1.00 53.32 H new ATOM 0 HE2 LYS A1097 -5.520 -52.613 18.540 1.00 54.12 H new ATOM 0 HE3 LYS A1097 -5.889 -52.358 20.235 1.00 54.12 H new ATOM 0 HZ1 LYS A1097 -6.380 -50.313 19.420 1.00 12.25 H new ATOM 0 HZ2 LYS A1097 -4.733 -50.050 19.738 1.00 12.25 H new ATOM 0 HZ3 LYS A1097 -5.248 -50.396 18.158 1.00 12.25 H new ATOM 752 N GLU A1098 -1.361 -54.591 23.769 1.00 22.02 N ATOM 753 CA GLU A1098 -1.491 -54.240 25.178 1.00 4.11 C ATOM 754 C GLU A1098 -1.101 -52.784 25.414 1.00 55.33 C ATOM 755 O GLU A1098 -1.114 -52.300 26.546 1.00 60.12 O ATOM 756 CB GLU A1098 -0.618 -55.157 26.037 1.00 11.25 C ATOM 757 CG GLU A1098 0.847 -55.157 25.635 1.00 0.54 C ATOM 758 CD GLU A1098 1.587 -53.928 26.128 1.00 12.03 C ATOM 759 OE1 GLU A1098 1.559 -53.668 27.349 1.00 45.10 O ATOM 760 OE2 GLU A1098 2.192 -53.226 25.291 1.00 25.34 O ATOM 0 H GLU A1098 -0.430 -54.442 23.381 1.00 22.02 H new ATOM 0 HA GLU A1098 -2.535 -54.370 25.463 1.00 4.11 H new ATOM 0 HB2 GLU A1098 -0.700 -54.850 27.080 1.00 11.25 H new ATOM 0 HB3 GLU A1098 -1.003 -56.175 25.974 1.00 11.25 H new ATOM 0 HG2 GLU A1098 1.329 -56.050 26.032 1.00 0.54 H new ATOM 0 HG3 GLU A1098 0.922 -55.210 24.549 1.00 0.54 H new ATOM 767 N LYS A1099 -0.755 -52.088 24.336 1.00 50.23 N ATOM 768 CA LYS A1099 -0.362 -50.687 24.422 1.00 63.21 C ATOM 769 C LYS A1099 -1.399 -49.788 23.755 1.00 32.51 C ATOM 770 O LYS A1099 -1.444 -49.680 22.530 1.00 61.23 O ATOM 771 CB LYS A1099 1.006 -50.478 23.767 1.00 53.31 C ATOM 772 CG LYS A1099 1.804 -49.338 24.376 1.00 11.54 C ATOM 773 CD LYS A1099 3.043 -49.023 23.555 1.00 32.13 C ATOM 774 CE LYS A1099 2.677 -48.437 22.199 1.00 23.42 C ATOM 775 NZ LYS A1099 3.862 -47.856 21.510 1.00 64.21 N ATOM 0 H LYS A1099 -0.739 -52.472 23.391 1.00 50.23 H new ATOM 0 HA LYS A1099 -0.298 -50.418 25.476 1.00 63.21 H new ATOM 0 HB2 LYS A1099 1.583 -51.399 23.849 1.00 53.31 H new ATOM 0 HB3 LYS A1099 0.865 -50.284 22.704 1.00 53.31 H new ATOM 0 HG2 LYS A1099 1.176 -48.449 24.445 1.00 11.54 H new ATOM 0 HG3 LYS A1099 2.097 -49.600 25.393 1.00 11.54 H new ATOM 0 HD2 LYS A1099 3.673 -48.319 24.099 1.00 32.13 H new ATOM 0 HD3 LYS A1099 3.629 -49.931 23.414 1.00 32.13 H new ATOM 0 HE2 LYS A1099 2.238 -49.214 21.574 1.00 23.42 H new ATOM 0 HE3 LYS A1099 1.918 -47.666 22.329 1.00 23.42 H new ATOM 0 HZ1 LYS A1099 3.572 -47.467 20.590 1.00 64.21 H new ATOM 0 HZ2 LYS A1099 4.266 -47.097 22.095 1.00 64.21 H new ATOM 0 HZ3 LYS A1099 4.576 -48.598 21.363 1.00 64.21 H new ATOM 789 N MET A1100 -2.231 -49.147 24.569 1.00 72.23 N ATOM 790 CA MET A1100 -3.266 -48.257 24.056 1.00 43.40 C ATOM 791 C MET A1100 -2.730 -46.838 23.894 1.00 42.41 C ATOM 792 O MET A1100 -3.100 -46.128 22.960 1.00 75.12 O ATOM 793 CB MET A1100 -4.475 -48.254 24.993 1.00 14.44 C ATOM 794 CG MET A1100 -5.452 -49.388 24.729 1.00 75.14 C ATOM 795 SD MET A1100 -6.384 -49.159 23.202 1.00 14.51 S ATOM 796 CE MET A1100 -7.960 -48.601 23.848 1.00 63.40 C ATOM 0 H MET A1100 -2.209 -49.227 25.586 1.00 72.23 H new ATOM 0 HA MET A1100 -3.575 -48.624 23.077 1.00 43.40 H new ATOM 0 HB2 MET A1100 -4.126 -48.319 26.023 1.00 14.44 H new ATOM 0 HB3 MET A1100 -4.999 -47.303 24.893 1.00 14.44 H new ATOM 0 HG2 MET A1100 -4.905 -50.330 24.679 1.00 75.14 H new ATOM 0 HG3 MET A1100 -6.146 -49.467 25.566 1.00 75.14 H new ATOM 0 HE1 MET A1100 -8.647 -48.416 23.022 1.00 63.40 H new ATOM 0 HE2 MET A1100 -8.377 -49.367 24.502 1.00 63.40 H new ATOM 0 HE3 MET A1100 -7.816 -47.680 24.413 1.00 63.40 H new ATOM 806 N GLU A1101 -1.857 -46.430 24.811 1.00 33.13 N ATOM 807 CA GLU A1101 -1.273 -45.094 24.768 1.00 34.33 C ATOM 808 C GLU A1101 -2.313 -44.059 24.351 1.00 74.33 C ATOM 809 O GLU A1101 -2.026 -43.160 23.560 1.00 2.54 O ATOM 810 CB GLU A1101 -0.089 -45.063 23.801 1.00 23.50 C ATOM 811 CG GLU A1101 -0.473 -45.347 22.358 1.00 2.24 C ATOM 812 CD GLU A1101 0.587 -44.893 21.372 1.00 32.34 C ATOM 813 OE1 GLU A1101 0.932 -43.694 21.385 1.00 44.45 O ATOM 814 OE2 GLU A1101 1.068 -45.737 20.588 1.00 24.32 O ATOM 0 H GLU A1101 -1.539 -47.005 25.591 1.00 33.13 H new ATOM 0 HA GLU A1101 -0.921 -44.846 25.769 1.00 34.33 H new ATOM 0 HB2 GLU A1101 0.388 -44.084 23.855 1.00 23.50 H new ATOM 0 HB3 GLU A1101 0.651 -45.796 24.122 1.00 23.50 H new ATOM 0 HG2 GLU A1101 -0.644 -46.416 22.235 1.00 2.24 H new ATOM 0 HG3 GLU A1101 -1.414 -44.846 22.131 1.00 2.24 H new ATOM 821 N ALA A1102 -3.521 -44.193 24.887 1.00 54.51 N ATOM 822 CA ALA A1102 -4.604 -43.269 24.571 1.00 4.25 C ATOM 823 C ALA A1102 -4.288 -41.863 25.072 1.00 54.42 C ATOM 824 O ALA A1102 -4.237 -41.620 26.277 1.00 0.42 O ATOM 825 CB ALA A1102 -5.911 -43.763 25.171 1.00 11.34 C ATOM 0 H ALA A1102 -3.775 -44.932 25.542 1.00 54.51 H new ATOM 0 HA ALA A1102 -4.708 -43.226 23.487 1.00 4.25 H new ATOM 0 HB1 ALA A1102 -6.711 -43.064 24.927 1.00 11.34 H new ATOM 0 HB2 ALA A1102 -6.151 -44.745 24.763 1.00 11.34 H new ATOM 0 HB3 ALA A1102 -5.810 -43.835 26.254 1.00 11.34 H new ATOM 831 N GLY A1103 -4.078 -40.941 24.138 1.00 45.25 N ATOM 832 CA GLY A1103 -3.769 -39.571 24.505 1.00 12.22 C ATOM 833 C GLY A1103 -2.278 -39.310 24.572 1.00 23.02 C ATOM 834 O GLY A1103 -1.608 -39.878 25.434 1.00 13.53 O ATOM 0 H GLY A1103 -4.116 -41.118 23.134 1.00 45.25 H new ATOM 0 HA2 GLY A1103 -4.221 -38.894 23.780 1.00 12.22 H new ATOM 0 HA3 GLY A1103 -4.217 -39.348 25.473 1.00 12.22 H new TER 838 GLY A1103