USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1078 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 SER OG : rot 180:sc= -0.0114 USER MOD Set 1.2: A 123 GLN : amide:sc= 0.691 K(o=0.68,f=-5.5!) USER MOD Set 2.1: A 117 ASN :FLIP amide:sc= -0.0585 F(o=-0.19,f=0.65) USER MOD Set 2.2: A 121 ASN : amide:sc= 0.711 K(o=0.65,f=0) USER MOD Set 3.1: A 102 LYS NZ :NH3+ 143:sc= 0.518 (180deg=0.073) USER MOD Set 3.2: A 103 TYR OH : rot 133:sc= 0.00214 USER MOD Set 4.1: A 26 GLN : amide:sc= -0.769 K(o=-0.49,f=-4.3!) USER MOD Set 4.2: A 88 HIS : +bothHN:sc= 0.28 K(o=-0.49,f=-2.7) USER MOD Set 5.1: A 78 ASN :FLIP amide:sc= -0.325 F(o=-2.1,f=-0.53) USER MOD Set 5.2: A 104 ASN : amide:sc= -0.202 K(o=-0.53,f=-1.6!) USER MOD Set 6.1: A 56 LYS NZ :NH3+ -164:sc= 0.325 (180deg=0) USER MOD Set 6.2: A 126 ASN : amide:sc= 0.284 K(o=0.61,f=-0.98) USER MOD Set 7.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 50 ASN : amide:sc= 0.632 X(o=0.63,f=0.22) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -1.16 (180deg=-1.87!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= 0.618 (180deg=0.0916) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 78:sc= 0.634 USER MOD Single : A 21 SER OG : rot 65:sc= 0.76 USER MOD Single : A 24 TYR OH : rot -145:sc= 0.688 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.594 K(o=-0.59,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.108 (180deg=-0.0674) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 64 TYR OH : rot 76:sc= 0.355 USER MOD Single : A 65 SER OG : rot -166:sc= 0.945 USER MOD Single : A 66 ASN : amide:sc= -0.033 K(o=-0.033,f=-2.2!) USER MOD Single : A 68 TYR OH : rot -100:sc= -0.798 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 90:sc= -2.38 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0.527 (180deg=0.517) USER MOD Single : A 86 THR OG1 : rot 87:sc= 0.752 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0669 F(o=-0.72,f=-0.067) USER MOD Single : A 105 GLN : amide:sc= -0.0448 X(o=-0.045,f=-0.34) USER MOD Single : A 109 THR OG1 : rot -76:sc= 0.684 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.101 F(o=-0.77,f=-0.1) USER MOD Single : A 125 TYR OH : rot 59:sc= -0.281 USER MOD Single : A 133 THR OG1 : rot 149:sc= 0.0229 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 14.730 4.765 -10.703 1.00 51.31 N ATOM 43 CA VAL A 3 13.418 5.290 -10.226 1.00 72.34 C ATOM 44 C VAL A 3 12.476 4.125 -9.797 1.00 40.11 C ATOM 45 O VAL A 3 11.531 4.323 -9.015 1.00 62.20 O ATOM 46 CB VAL A 3 12.725 6.161 -11.354 1.00 73.43 C ATOM 47 CG1 VAL A 3 11.450 6.880 -10.836 1.00 71.03 C ATOM 48 CG2 VAL A 3 13.720 7.180 -11.969 1.00 14.15 C ATOM 0 HA VAL A 3 13.604 5.922 -9.357 1.00 72.34 H new ATOM 0 HB VAL A 3 12.414 5.471 -12.139 1.00 73.43 H new ATOM 0 HG11 VAL A 3 11.009 7.465 -11.643 1.00 71.03 H new ATOM 0 HG12 VAL A 3 10.730 6.139 -10.489 1.00 71.03 H new ATOM 0 HG13 VAL A 3 11.715 7.542 -10.011 1.00 71.03 H new ATOM 0 HG21 VAL A 3 13.215 7.762 -12.740 1.00 14.15 H new ATOM 0 HG22 VAL A 3 14.084 7.849 -11.189 1.00 14.15 H new ATOM 0 HG23 VAL A 3 14.561 6.646 -12.411 1.00 14.15 H new ATOM 58 N PHE A 4 12.770 2.914 -10.334 1.00 14.45 N ATOM 59 CA PHE A 4 12.019 1.656 -10.075 1.00 22.02 C ATOM 60 C PHE A 4 10.610 1.654 -10.717 1.00 41.43 C ATOM 61 O PHE A 4 9.698 0.982 -10.225 1.00 15.43 O ATOM 62 CB PHE A 4 11.946 1.317 -8.549 1.00 13.14 C ATOM 63 CG PHE A 4 13.298 1.031 -7.907 1.00 41.14 C ATOM 64 CD1 PHE A 4 13.917 -0.207 -8.080 1.00 12.10 C ATOM 65 CD2 PHE A 4 13.953 1.994 -7.140 1.00 53.31 C ATOM 66 CE1 PHE A 4 15.143 -0.469 -7.505 1.00 14.12 C ATOM 67 CE2 PHE A 4 15.180 1.727 -6.568 1.00 70.15 C ATOM 68 CZ PHE A 4 15.774 0.495 -6.751 1.00 13.23 C ATOM 0 H PHE A 4 13.553 2.780 -10.974 1.00 14.45 H new ATOM 0 HA PHE A 4 12.589 0.865 -10.562 1.00 22.02 H new ATOM 0 HB2 PHE A 4 11.477 2.150 -8.025 1.00 13.14 H new ATOM 0 HB3 PHE A 4 11.300 0.450 -8.411 1.00 13.14 H new ATOM 0 HD1 PHE A 4 13.431 -0.969 -8.671 1.00 12.10 H new ATOM 0 HD2 PHE A 4 13.494 2.960 -6.992 1.00 53.31 H new ATOM 0 HE1 PHE A 4 15.609 -1.433 -7.647 1.00 14.12 H new ATOM 0 HE2 PHE A 4 15.676 2.483 -5.977 1.00 70.15 H new ATOM 0 HZ PHE A 4 16.734 0.287 -6.303 1.00 13.23 H new ATOM 78 N LYS A 5 10.434 2.378 -11.841 1.00 10.22 N ATOM 79 CA LYS A 5 9.195 2.281 -12.643 1.00 53.41 C ATOM 80 C LYS A 5 9.373 1.213 -13.744 1.00 33.43 C ATOM 81 O LYS A 5 10.486 1.031 -14.267 1.00 71.32 O ATOM 82 CB LYS A 5 8.782 3.652 -13.265 1.00 3.33 C ATOM 83 CG LYS A 5 9.557 4.113 -14.521 1.00 40.33 C ATOM 84 CD LYS A 5 8.921 5.373 -15.158 1.00 20.53 C ATOM 85 CE LYS A 5 9.530 5.725 -16.523 1.00 42.24 C ATOM 86 NZ LYS A 5 9.305 4.655 -17.534 1.00 62.51 N ATOM 0 H LYS A 5 11.125 3.030 -12.212 1.00 10.22 H new ATOM 0 HA LYS A 5 8.387 1.985 -11.975 1.00 53.41 H new ATOM 0 HB2 LYS A 5 7.723 3.604 -13.519 1.00 3.33 H new ATOM 0 HB3 LYS A 5 8.892 4.419 -12.498 1.00 3.33 H new ATOM 0 HG2 LYS A 5 10.592 4.324 -14.252 1.00 40.33 H new ATOM 0 HG3 LYS A 5 9.576 3.306 -15.253 1.00 40.33 H new ATOM 0 HD2 LYS A 5 7.849 5.213 -15.274 1.00 20.53 H new ATOM 0 HD3 LYS A 5 9.046 6.218 -14.481 1.00 20.53 H new ATOM 0 HE2 LYS A 5 9.096 6.658 -16.882 1.00 42.24 H new ATOM 0 HE3 LYS A 5 10.601 5.894 -16.408 1.00 42.24 H new ATOM 0 HZ1 LYS A 5 10.034 4.717 -18.273 1.00 62.51 H new ATOM 0 HZ2 LYS A 5 9.358 3.725 -17.072 1.00 62.51 H new ATOM 0 HZ3 LYS A 5 8.366 4.775 -17.964 1.00 62.51 H new ATOM 100 N ARG A 6 8.286 0.492 -14.083 1.00 25.32 N ATOM 101 CA ARG A 6 8.328 -0.494 -15.181 1.00 54.21 C ATOM 102 C ARG A 6 8.244 0.238 -16.536 1.00 41.22 C ATOM 103 O ARG A 6 7.169 0.703 -16.937 1.00 1.35 O ATOM 104 CB ARG A 6 7.209 -1.568 -15.069 1.00 30.34 C ATOM 105 CG ARG A 6 7.397 -2.741 -16.068 1.00 73.32 C ATOM 106 CD ARG A 6 6.326 -3.839 -15.954 1.00 73.54 C ATOM 107 NE ARG A 6 6.616 -4.956 -16.877 1.00 41.41 N ATOM 108 CZ ARG A 6 5.741 -5.793 -17.381 1.00 25.12 C ATOM 109 NH1 ARG A 6 4.471 -5.663 -17.159 1.00 62.11 N ATOM 110 NH2 ARG A 6 6.148 -6.758 -18.132 1.00 74.12 N ATOM 0 H ARG A 6 7.381 0.572 -13.620 1.00 25.32 H new ATOM 0 HA ARG A 6 9.276 -1.028 -15.107 1.00 54.21 H new ATOM 0 HB2 ARG A 6 7.191 -1.962 -14.053 1.00 30.34 H new ATOM 0 HB3 ARG A 6 6.242 -1.098 -15.246 1.00 30.34 H new ATOM 0 HG2 ARG A 6 7.389 -2.345 -17.083 1.00 73.32 H new ATOM 0 HG3 ARG A 6 8.378 -3.187 -15.908 1.00 73.32 H new ATOM 0 HD2 ARG A 6 6.287 -4.209 -14.930 1.00 73.54 H new ATOM 0 HD3 ARG A 6 5.345 -3.421 -16.180 1.00 73.54 H new ATOM 0 HE ARG A 6 7.590 -5.089 -17.148 1.00 41.41 H new ATOM 0 HH11 ARG A 6 4.130 -4.895 -16.580 1.00 62.11 H new ATOM 0 HH12 ARG A 6 3.812 -6.328 -17.563 1.00 62.11 H new ATOM 0 HH21 ARG A 6 7.143 -6.866 -18.330 1.00 74.12 H new ATOM 0 HH22 ARG A 6 5.475 -7.414 -18.529 1.00 74.12 H new ATOM 124 N VAL A 7 9.404 0.394 -17.195 1.00 25.21 N ATOM 125 CA VAL A 7 9.488 0.979 -18.546 1.00 40.14 C ATOM 126 C VAL A 7 8.829 0.009 -19.563 1.00 11.05 C ATOM 127 O VAL A 7 9.319 -1.108 -19.731 1.00 10.23 O ATOM 128 CB VAL A 7 10.989 1.263 -18.952 1.00 71.32 C ATOM 129 CG1 VAL A 7 11.099 1.936 -20.346 1.00 52.41 C ATOM 130 CG2 VAL A 7 11.714 2.104 -17.866 1.00 75.41 C ATOM 0 H VAL A 7 10.307 0.120 -16.809 1.00 25.21 H new ATOM 0 HA VAL A 7 8.958 1.932 -18.551 1.00 40.14 H new ATOM 0 HB VAL A 7 11.489 0.297 -19.022 1.00 71.32 H new ATOM 0 HG11 VAL A 7 12.148 2.112 -20.583 1.00 52.41 H new ATOM 0 HG12 VAL A 7 10.661 1.283 -21.101 1.00 52.41 H new ATOM 0 HG13 VAL A 7 10.565 2.886 -20.334 1.00 52.41 H new ATOM 0 HG21 VAL A 7 12.744 2.284 -18.173 1.00 75.41 H new ATOM 0 HG22 VAL A 7 11.201 3.058 -17.742 1.00 75.41 H new ATOM 0 HG23 VAL A 7 11.706 1.562 -16.920 1.00 75.41 H new ATOM 140 N ALA A 8 7.689 0.435 -20.163 1.00 53.01 N ATOM 141 CA ALA A 8 6.932 -0.354 -21.182 1.00 74.54 C ATOM 142 C ALA A 8 7.869 -1.068 -22.205 1.00 75.13 C ATOM 143 O ALA A 8 8.408 -0.439 -23.123 1.00 40.34 O ATOM 144 CB ALA A 8 5.907 0.544 -21.903 1.00 52.14 C ATOM 0 H ALA A 8 7.263 1.338 -19.956 1.00 53.01 H new ATOM 0 HA ALA A 8 6.399 -1.141 -20.649 1.00 74.54 H new ATOM 0 HB1 ALA A 8 5.364 -0.045 -22.642 1.00 52.14 H new ATOM 0 HB2 ALA A 8 5.205 0.951 -21.176 1.00 52.14 H new ATOM 0 HB3 ALA A 8 6.427 1.362 -22.402 1.00 52.14 H new ATOM 150 N GLY A 9 8.039 -2.392 -22.009 1.00 44.12 N ATOM 151 CA GLY A 9 9.048 -3.194 -22.726 1.00 43.34 C ATOM 152 C GLY A 9 9.870 -4.135 -21.821 1.00 32.44 C ATOM 153 O GLY A 9 10.510 -5.068 -22.325 1.00 53.33 O ATOM 0 H GLY A 9 7.480 -2.933 -21.349 1.00 44.12 H new ATOM 0 HA2 GLY A 9 8.547 -3.789 -23.489 1.00 43.34 H new ATOM 0 HA3 GLY A 9 9.730 -2.520 -23.244 1.00 43.34 H new ATOM 157 N ILE A 10 9.877 -3.887 -20.487 1.00 1.35 N ATOM 158 CA ILE A 10 10.639 -4.723 -19.520 1.00 64.11 C ATOM 159 C ILE A 10 9.927 -6.079 -19.269 1.00 71.53 C ATOM 160 O ILE A 10 8.901 -6.144 -18.580 1.00 71.10 O ATOM 161 CB ILE A 10 10.899 -3.992 -18.142 1.00 3.13 C ATOM 162 CG1 ILE A 10 11.754 -2.700 -18.351 1.00 42.35 C ATOM 163 CG2 ILE A 10 11.592 -4.942 -17.125 1.00 54.32 C ATOM 164 CD1 ILE A 10 12.055 -1.909 -17.081 1.00 14.45 C ATOM 0 H ILE A 10 9.365 -3.117 -20.056 1.00 1.35 H new ATOM 0 HA ILE A 10 11.610 -4.904 -19.981 1.00 64.11 H new ATOM 0 HB ILE A 10 9.931 -3.704 -17.732 1.00 3.13 H new ATOM 0 HG12 ILE A 10 12.698 -2.980 -18.818 1.00 42.35 H new ATOM 0 HG13 ILE A 10 11.233 -2.048 -19.052 1.00 42.35 H new ATOM 0 HG21 ILE A 10 11.758 -4.412 -16.187 1.00 54.32 H new ATOM 0 HG22 ILE A 10 10.956 -5.808 -16.945 1.00 54.32 H new ATOM 0 HG23 ILE A 10 12.549 -5.272 -17.529 1.00 54.32 H new ATOM 0 HD11 ILE A 10 12.652 -1.032 -17.331 1.00 14.45 H new ATOM 0 HD12 ILE A 10 11.120 -1.591 -16.620 1.00 14.45 H new ATOM 0 HD13 ILE A 10 12.608 -2.538 -16.383 1.00 14.45 H new ATOM 176 N LYS A 11 10.485 -7.142 -19.867 1.00 32.44 N ATOM 177 CA LYS A 11 10.008 -8.529 -19.691 1.00 73.30 C ATOM 178 C LYS A 11 10.652 -9.195 -18.450 1.00 43.35 C ATOM 179 O LYS A 11 9.986 -9.977 -17.761 1.00 34.23 O ATOM 180 CB LYS A 11 10.303 -9.351 -20.981 1.00 53.31 C ATOM 181 CG LYS A 11 11.791 -9.376 -21.409 1.00 13.30 C ATOM 182 CD LYS A 11 12.029 -10.114 -22.747 1.00 4.42 C ATOM 183 CE LYS A 11 11.286 -9.461 -23.932 1.00 23.23 C ATOM 184 NZ LYS A 11 11.630 -10.101 -25.227 1.00 60.23 N ATOM 0 H LYS A 11 11.287 -7.066 -20.493 1.00 32.44 H new ATOM 0 HA LYS A 11 8.931 -8.507 -19.522 1.00 73.30 H new ATOM 0 HB2 LYS A 11 9.967 -10.376 -20.826 1.00 53.31 H new ATOM 0 HB3 LYS A 11 9.711 -8.941 -21.799 1.00 53.31 H new ATOM 0 HG2 LYS A 11 12.154 -8.352 -21.497 1.00 13.30 H new ATOM 0 HG3 LYS A 11 12.379 -9.857 -20.627 1.00 13.30 H new ATOM 0 HD2 LYS A 11 13.098 -10.133 -22.961 1.00 4.42 H new ATOM 0 HD3 LYS A 11 11.705 -11.150 -22.648 1.00 4.42 H new ATOM 0 HE2 LYS A 11 10.211 -9.531 -23.768 1.00 23.23 H new ATOM 0 HE3 LYS A 11 11.534 -8.400 -23.975 1.00 23.23 H new ATOM 0 HZ1 LYS A 11 11.109 -9.632 -25.995 1.00 60.23 H new ATOM 0 HZ2 LYS A 11 12.652 -10.013 -25.397 1.00 60.23 H new ATOM 0 HZ3 LYS A 11 11.370 -11.107 -25.197 1.00 60.23 H new ATOM 198 N ASP A 12 11.959 -8.902 -18.214 1.00 64.00 N ATOM 199 CA ASP A 12 12.748 -9.414 -17.064 1.00 25.23 C ATOM 200 C ASP A 12 11.978 -9.406 -15.723 1.00 71.33 C ATOM 201 O ASP A 12 11.803 -8.364 -15.104 1.00 63.32 O ATOM 202 CB ASP A 12 14.061 -8.603 -16.905 1.00 33.04 C ATOM 203 CG ASP A 12 14.923 -8.611 -18.171 1.00 44.51 C ATOM 204 OD1 ASP A 12 14.687 -7.766 -19.060 1.00 51.21 O ATOM 205 OD2 ASP A 12 15.825 -9.464 -18.293 1.00 23.53 O ATOM 0 H ASP A 12 12.501 -8.294 -18.828 1.00 64.00 H new ATOM 0 HA ASP A 12 12.966 -10.456 -17.298 1.00 25.23 H new ATOM 0 HB2 ASP A 12 13.817 -7.573 -16.644 1.00 33.04 H new ATOM 0 HB3 ASP A 12 14.638 -9.014 -16.076 1.00 33.04 H new ATOM 210 N LYS A 13 11.503 -10.594 -15.322 1.00 14.31 N ATOM 211 CA LYS A 13 10.927 -10.811 -13.973 1.00 75.42 C ATOM 212 C LYS A 13 11.990 -10.703 -12.848 1.00 12.55 C ATOM 213 O LYS A 13 11.641 -10.710 -11.674 1.00 13.43 O ATOM 214 CB LYS A 13 10.133 -12.135 -13.885 1.00 43.41 C ATOM 215 CG LYS A 13 8.821 -12.123 -14.714 1.00 63.25 C ATOM 216 CD LYS A 13 7.762 -13.111 -14.171 1.00 40.41 C ATOM 217 CE LYS A 13 6.408 -12.980 -14.895 1.00 11.25 C ATOM 218 NZ LYS A 13 5.329 -13.684 -14.160 1.00 3.14 N ATOM 0 H LYS A 13 11.503 -11.427 -15.911 1.00 14.31 H new ATOM 0 HA LYS A 13 10.217 -10.000 -13.811 1.00 75.42 H new ATOM 0 HB2 LYS A 13 10.765 -12.953 -14.231 1.00 43.41 H new ATOM 0 HB3 LYS A 13 9.893 -12.337 -12.841 1.00 43.41 H new ATOM 0 HG2 LYS A 13 8.405 -11.115 -14.714 1.00 63.25 H new ATOM 0 HG3 LYS A 13 9.048 -12.374 -15.750 1.00 63.25 H new ATOM 0 HD2 LYS A 13 8.131 -14.131 -14.280 1.00 40.41 H new ATOM 0 HD3 LYS A 13 7.619 -12.936 -13.105 1.00 40.41 H new ATOM 0 HE2 LYS A 13 6.151 -11.926 -15.000 1.00 11.25 H new ATOM 0 HE3 LYS A 13 6.491 -13.390 -15.902 1.00 11.25 H new ATOM 0 HZ1 LYS A 13 4.415 -13.234 -14.370 1.00 3.14 H new ATOM 0 HZ2 LYS A 13 5.301 -14.681 -14.456 1.00 3.14 H new ATOM 0 HZ3 LYS A 13 5.514 -13.631 -13.138 1.00 3.14 H new ATOM 232 N ALA A 14 13.283 -10.626 -13.231 1.00 62.12 N ATOM 233 CA ALA A 14 14.380 -10.175 -12.335 1.00 75.52 C ATOM 234 C ALA A 14 14.251 -8.657 -12.020 1.00 64.42 C ATOM 235 O ALA A 14 14.467 -8.218 -10.886 1.00 52.41 O ATOM 236 CB ALA A 14 15.743 -10.473 -12.989 1.00 73.02 C ATOM 0 H ALA A 14 13.600 -10.874 -14.168 1.00 62.12 H new ATOM 0 HA ALA A 14 14.307 -10.721 -11.395 1.00 75.52 H new ATOM 0 HB1 ALA A 14 16.544 -10.141 -12.329 1.00 73.02 H new ATOM 0 HB2 ALA A 14 15.837 -11.545 -13.162 1.00 73.02 H new ATOM 0 HB3 ALA A 14 15.814 -9.944 -13.940 1.00 73.02 H new ATOM 242 N ALA A 15 13.870 -7.880 -13.053 1.00 50.13 N ATOM 243 CA ALA A 15 13.653 -6.415 -12.947 1.00 63.34 C ATOM 244 C ALA A 15 12.298 -6.102 -12.257 1.00 12.12 C ATOM 245 O ALA A 15 12.206 -5.174 -11.449 1.00 61.20 O ATOM 246 CB ALA A 15 13.736 -5.755 -14.332 1.00 63.14 C ATOM 0 H ALA A 15 13.702 -8.248 -13.990 1.00 50.13 H new ATOM 0 HA ALA A 15 14.445 -5.997 -12.325 1.00 63.34 H new ATOM 0 HB1 ALA A 15 13.574 -4.682 -14.234 1.00 63.14 H new ATOM 0 HB2 ALA A 15 14.721 -5.936 -14.763 1.00 63.14 H new ATOM 0 HB3 ALA A 15 12.972 -6.179 -14.983 1.00 63.14 H new ATOM 252 N ILE A 16 11.244 -6.871 -12.622 1.00 53.41 N ATOM 253 CA ILE A 16 9.930 -6.872 -11.922 1.00 74.32 C ATOM 254 C ILE A 16 10.103 -7.243 -10.422 1.00 0.22 C ATOM 255 O ILE A 16 9.468 -6.636 -9.563 1.00 63.42 O ATOM 256 CB ILE A 16 8.879 -7.843 -12.651 1.00 75.32 C ATOM 257 CG1 ILE A 16 8.150 -7.131 -13.851 1.00 45.11 C ATOM 258 CG2 ILE A 16 7.827 -8.461 -11.685 1.00 40.02 C ATOM 259 CD1 ILE A 16 9.045 -6.673 -14.986 1.00 71.24 C ATOM 0 H ILE A 16 11.278 -7.513 -13.414 1.00 53.41 H new ATOM 0 HA ILE A 16 9.523 -5.862 -11.971 1.00 74.32 H new ATOM 0 HB ILE A 16 9.482 -8.664 -13.040 1.00 75.32 H new ATOM 0 HG12 ILE A 16 7.403 -7.814 -14.255 1.00 45.11 H new ATOM 0 HG13 ILE A 16 7.614 -6.265 -13.464 1.00 45.11 H new ATOM 0 HG21 ILE A 16 7.151 -9.105 -12.247 1.00 40.02 H new ATOM 0 HG22 ILE A 16 8.336 -9.048 -10.921 1.00 40.02 H new ATOM 0 HG23 ILE A 16 7.256 -7.663 -11.210 1.00 40.02 H new ATOM 0 HD11 ILE A 16 8.440 -6.197 -15.757 1.00 71.24 H new ATOM 0 HD12 ILE A 16 9.777 -5.960 -14.607 1.00 71.24 H new ATOM 0 HD13 ILE A 16 9.563 -7.533 -15.411 1.00 71.24 H new ATOM 271 N LYS A 17 10.989 -8.216 -10.123 1.00 5.11 N ATOM 272 CA LYS A 17 11.285 -8.641 -8.730 1.00 14.24 C ATOM 273 C LYS A 17 11.948 -7.499 -7.917 1.00 15.01 C ATOM 274 O LYS A 17 11.547 -7.232 -6.794 1.00 1.22 O ATOM 275 CB LYS A 17 12.197 -9.894 -8.727 1.00 43.14 C ATOM 276 CG LYS A 17 12.516 -10.469 -7.324 1.00 2.42 C ATOM 277 CD LYS A 17 13.415 -11.727 -7.386 1.00 62.22 C ATOM 278 CE LYS A 17 12.769 -12.897 -8.159 1.00 14.42 C ATOM 279 NZ LYS A 17 13.668 -14.073 -8.234 1.00 1.51 N ATOM 0 H LYS A 17 11.517 -8.728 -10.830 1.00 5.11 H new ATOM 0 HA LYS A 17 10.337 -8.889 -8.253 1.00 14.24 H new ATOM 0 HB2 LYS A 17 11.721 -10.673 -9.322 1.00 43.14 H new ATOM 0 HB3 LYS A 17 13.135 -9.643 -9.222 1.00 43.14 H new ATOM 0 HG2 LYS A 17 13.010 -9.703 -6.725 1.00 2.42 H new ATOM 0 HG3 LYS A 17 11.584 -10.718 -6.817 1.00 2.42 H new ATOM 0 HD2 LYS A 17 14.362 -11.466 -7.859 1.00 62.22 H new ATOM 0 HD3 LYS A 17 13.644 -12.053 -6.371 1.00 62.22 H new ATOM 0 HE2 LYS A 17 11.837 -13.183 -7.672 1.00 14.42 H new ATOM 0 HE3 LYS A 17 12.515 -12.570 -9.167 1.00 14.42 H new ATOM 0 HZ1 LYS A 17 13.198 -14.837 -8.761 1.00 1.51 H new ATOM 0 HZ2 LYS A 17 14.547 -13.807 -8.721 1.00 1.51 H new ATOM 0 HZ3 LYS A 17 13.891 -14.402 -7.273 1.00 1.51 H new ATOM 293 N THR A 18 13.003 -6.880 -8.483 1.00 4.53 N ATOM 294 CA THR A 18 13.648 -5.660 -7.911 1.00 70.43 C ATOM 295 C THR A 18 12.641 -4.493 -7.660 1.00 75.20 C ATOM 296 O THR A 18 12.717 -3.814 -6.630 1.00 75.11 O ATOM 297 CB THR A 18 14.808 -5.166 -8.848 1.00 21.13 C ATOM 298 OG1 THR A 18 15.713 -6.252 -9.107 1.00 42.23 O ATOM 299 CG2 THR A 18 15.610 -3.993 -8.249 1.00 33.13 C ATOM 0 H THR A 18 13.438 -7.203 -9.347 1.00 4.53 H new ATOM 0 HA THR A 18 14.049 -5.951 -6.940 1.00 70.43 H new ATOM 0 HB THR A 18 14.339 -4.813 -9.766 1.00 21.13 H new ATOM 0 HG1 THR A 18 15.321 -6.852 -9.775 1.00 42.23 H new ATOM 0 HG21 THR A 18 16.396 -3.698 -8.944 1.00 33.13 H new ATOM 0 HG22 THR A 18 14.944 -3.148 -8.075 1.00 33.13 H new ATOM 0 HG23 THR A 18 16.058 -4.303 -7.305 1.00 33.13 H new ATOM 307 N LEU A 19 11.727 -4.272 -8.624 1.00 33.43 N ATOM 308 CA LEU A 19 10.596 -3.303 -8.502 1.00 53.41 C ATOM 309 C LEU A 19 9.696 -3.651 -7.280 1.00 32.44 C ATOM 310 O LEU A 19 9.364 -2.782 -6.466 1.00 23.43 O ATOM 311 CB LEU A 19 9.798 -3.310 -9.852 1.00 42.55 C ATOM 312 CG LEU A 19 8.661 -2.234 -10.064 1.00 74.14 C ATOM 313 CD1 LEU A 19 8.421 -1.977 -11.567 1.00 11.12 C ATOM 314 CD2 LEU A 19 7.317 -2.626 -9.393 1.00 32.41 C ATOM 0 H LEU A 19 11.744 -4.759 -9.520 1.00 33.43 H new ATOM 0 HA LEU A 19 10.975 -2.297 -8.321 1.00 53.41 H new ATOM 0 HB2 LEU A 19 10.518 -3.195 -10.663 1.00 42.55 H new ATOM 0 HB3 LEU A 19 9.346 -4.296 -9.964 1.00 42.55 H new ATOM 0 HG LEU A 19 9.018 -1.324 -9.581 1.00 74.14 H new ATOM 0 HD11 LEU A 19 7.634 -1.233 -11.688 1.00 11.12 H new ATOM 0 HD12 LEU A 19 9.340 -1.611 -12.025 1.00 11.12 H new ATOM 0 HD13 LEU A 19 8.119 -2.906 -12.051 1.00 11.12 H new ATOM 0 HD21 LEU A 19 6.578 -1.846 -9.576 1.00 32.41 H new ATOM 0 HD22 LEU A 19 6.962 -3.567 -9.812 1.00 32.41 H new ATOM 0 HD23 LEU A 19 7.466 -2.740 -8.319 1.00 32.41 H new ATOM 326 N ILE A 20 9.324 -4.939 -7.183 1.00 45.53 N ATOM 327 CA ILE A 20 8.567 -5.508 -6.043 1.00 74.52 C ATOM 328 C ILE A 20 9.328 -5.314 -4.706 1.00 32.02 C ATOM 329 O ILE A 20 8.738 -4.919 -3.708 1.00 20.30 O ATOM 330 CB ILE A 20 8.277 -7.046 -6.304 1.00 30.04 C ATOM 331 CG1 ILE A 20 7.187 -7.215 -7.411 1.00 75.11 C ATOM 332 CG2 ILE A 20 7.900 -7.830 -5.019 1.00 24.44 C ATOM 333 CD1 ILE A 20 6.938 -8.650 -7.859 1.00 13.12 C ATOM 0 H ILE A 20 9.542 -5.628 -7.903 1.00 45.53 H new ATOM 0 HA ILE A 20 7.620 -4.975 -5.960 1.00 74.52 H new ATOM 0 HB ILE A 20 9.211 -7.485 -6.654 1.00 30.04 H new ATOM 0 HG12 ILE A 20 6.250 -6.798 -7.043 1.00 75.11 H new ATOM 0 HG13 ILE A 20 7.479 -6.625 -8.280 1.00 75.11 H new ATOM 0 HG21 ILE A 20 7.715 -8.874 -5.271 1.00 24.44 H new ATOM 0 HG22 ILE A 20 8.719 -7.769 -4.302 1.00 24.44 H new ATOM 0 HG23 ILE A 20 7.001 -7.398 -4.580 1.00 24.44 H new ATOM 0 HD11 ILE A 20 6.166 -8.662 -8.628 1.00 13.12 H new ATOM 0 HD12 ILE A 20 7.859 -9.070 -8.263 1.00 13.12 H new ATOM 0 HD13 ILE A 20 6.611 -9.246 -7.007 1.00 13.12 H new ATOM 345 N SER A 21 10.648 -5.557 -4.722 1.00 43.02 N ATOM 346 CA SER A 21 11.504 -5.485 -3.515 1.00 54.14 C ATOM 347 C SER A 21 11.543 -4.052 -2.950 1.00 22.40 C ATOM 348 O SER A 21 11.383 -3.859 -1.752 1.00 45.03 O ATOM 349 CB SER A 21 12.935 -5.979 -3.829 1.00 10.34 C ATOM 350 OG SER A 21 12.937 -7.326 -4.262 1.00 55.43 O ATOM 0 H SER A 21 11.157 -5.809 -5.569 1.00 43.02 H new ATOM 0 HA SER A 21 11.070 -6.138 -2.758 1.00 54.14 H new ATOM 0 HB2 SER A 21 13.378 -5.348 -4.599 1.00 10.34 H new ATOM 0 HB3 SER A 21 13.558 -5.881 -2.940 1.00 10.34 H new ATOM 0 HG SER A 21 12.464 -7.395 -5.118 1.00 55.43 H new ATOM 356 N ALA A 22 11.791 -3.064 -3.833 1.00 74.20 N ATOM 357 CA ALA A 22 11.663 -1.619 -3.510 1.00 3.13 C ATOM 358 C ALA A 22 10.278 -1.242 -2.913 1.00 32.23 C ATOM 359 O ALA A 22 10.213 -0.608 -1.853 1.00 62.43 O ATOM 360 CB ALA A 22 11.940 -0.786 -4.775 1.00 11.40 C ATOM 0 H ALA A 22 12.086 -3.240 -4.793 1.00 74.20 H new ATOM 0 HA ALA A 22 12.400 -1.396 -2.738 1.00 3.13 H new ATOM 0 HB1 ALA A 22 11.847 0.274 -4.540 1.00 11.40 H new ATOM 0 HB2 ALA A 22 12.949 -0.991 -5.132 1.00 11.40 H new ATOM 0 HB3 ALA A 22 11.220 -1.051 -5.550 1.00 11.40 H new ATOM 366 N ALA A 23 9.188 -1.621 -3.614 1.00 11.01 N ATOM 367 CA ALA A 23 7.792 -1.379 -3.153 1.00 13.21 C ATOM 368 C ALA A 23 7.511 -1.934 -1.727 1.00 12.51 C ATOM 369 O ALA A 23 6.939 -1.238 -0.886 1.00 45.11 O ATOM 370 CB ALA A 23 6.803 -1.981 -4.164 1.00 25.32 C ATOM 0 H ALA A 23 9.244 -2.102 -4.512 1.00 11.01 H new ATOM 0 HA ALA A 23 7.658 -0.299 -3.093 1.00 13.21 H new ATOM 0 HB1 ALA A 23 5.783 -1.803 -3.825 1.00 25.32 H new ATOM 0 HB2 ALA A 23 6.949 -1.514 -5.138 1.00 25.32 H new ATOM 0 HB3 ALA A 23 6.976 -3.054 -4.247 1.00 25.32 H new ATOM 376 N TYR A 24 7.941 -3.178 -1.471 1.00 75.25 N ATOM 377 CA TYR A 24 7.700 -3.882 -0.187 1.00 24.14 C ATOM 378 C TYR A 24 8.582 -3.298 0.948 1.00 3.42 C ATOM 379 O TYR A 24 8.094 -3.022 2.046 1.00 65.44 O ATOM 380 CB TYR A 24 7.931 -5.420 -0.359 1.00 13.32 C ATOM 381 CG TYR A 24 6.883 -6.159 -1.233 1.00 2.14 C ATOM 382 CD1 TYR A 24 6.184 -5.508 -2.255 1.00 21.21 C ATOM 383 CD2 TYR A 24 6.612 -7.520 -1.050 1.00 35.31 C ATOM 384 CE1 TYR A 24 5.271 -6.169 -3.041 1.00 50.13 C ATOM 385 CE2 TYR A 24 5.686 -8.183 -1.838 1.00 53.01 C ATOM 386 CZ TYR A 24 5.023 -7.500 -2.836 1.00 25.44 C ATOM 387 OH TYR A 24 4.111 -8.149 -3.637 1.00 50.21 O ATOM 0 H TYR A 24 8.468 -3.732 -2.146 1.00 75.25 H new ATOM 0 HA TYR A 24 6.660 -3.726 0.101 1.00 24.14 H new ATOM 0 HB2 TYR A 24 8.917 -5.575 -0.796 1.00 13.32 H new ATOM 0 HB3 TYR A 24 7.944 -5.881 0.629 1.00 13.32 H new ATOM 0 HD1 TYR A 24 6.367 -4.458 -2.431 1.00 21.21 H new ATOM 0 HD2 TYR A 24 7.136 -8.064 -0.278 1.00 35.31 H new ATOM 0 HE1 TYR A 24 4.748 -5.638 -3.822 1.00 50.13 H new ATOM 0 HE2 TYR A 24 5.484 -9.231 -1.672 1.00 53.01 H new ATOM 0 HH TYR A 24 3.628 -8.818 -3.108 1.00 50.21 H new ATOM 397 N ARG A 25 9.888 -3.134 0.664 1.00 52.12 N ATOM 398 CA ARG A 25 10.859 -2.439 1.556 1.00 41.31 C ATOM 399 C ARG A 25 10.383 -1.036 2.023 1.00 25.32 C ATOM 400 O ARG A 25 10.627 -0.648 3.171 1.00 24.51 O ATOM 401 CB ARG A 25 12.223 -2.330 0.819 1.00 60.01 C ATOM 402 CG ARG A 25 13.377 -1.679 1.617 1.00 44.15 C ATOM 403 CD ARG A 25 14.696 -1.632 0.808 1.00 13.11 C ATOM 404 NE ARG A 25 15.237 -2.984 0.536 1.00 52.51 N ATOM 405 CZ ARG A 25 15.467 -3.508 -0.656 1.00 11.31 C ATOM 406 NH1 ARG A 25 15.120 -2.892 -1.749 1.00 53.14 N ATOM 407 NH2 ARG A 25 16.029 -4.668 -0.749 1.00 14.34 N ATOM 0 H ARG A 25 10.311 -3.480 -0.197 1.00 52.12 H new ATOM 0 HA ARG A 25 10.953 -3.035 2.464 1.00 41.31 H new ATOM 0 HB2 ARG A 25 12.534 -3.332 0.522 1.00 60.01 H new ATOM 0 HB3 ARG A 25 12.074 -1.758 -0.097 1.00 60.01 H new ATOM 0 HG2 ARG A 25 13.092 -0.666 1.903 1.00 44.15 H new ATOM 0 HG3 ARG A 25 13.538 -2.237 2.539 1.00 44.15 H new ATOM 0 HD2 ARG A 25 14.522 -1.116 -0.136 1.00 13.11 H new ATOM 0 HD3 ARG A 25 15.436 -1.051 1.358 1.00 13.11 H new ATOM 0 HE ARG A 25 15.453 -3.566 1.345 1.00 52.51 H new ATOM 0 HH11 ARG A 25 14.659 -1.983 -1.698 1.00 53.14 H new ATOM 0 HH12 ARG A 25 15.309 -3.318 -2.656 1.00 53.14 H new ATOM 0 HH21 ARG A 25 16.293 -5.176 0.095 1.00 14.34 H new ATOM 0 HH22 ARG A 25 16.208 -5.076 -1.667 1.00 14.34 H new ATOM 421 N GLN A 26 9.701 -0.295 1.136 1.00 44.02 N ATOM 422 CA GLN A 26 9.176 1.051 1.452 1.00 3.21 C ATOM 423 C GLN A 26 7.906 0.947 2.335 1.00 4.01 C ATOM 424 O GLN A 26 7.904 1.391 3.491 1.00 2.25 O ATOM 425 CB GLN A 26 8.897 1.836 0.127 1.00 22.44 C ATOM 426 CG GLN A 26 8.651 3.364 0.267 1.00 40.11 C ATOM 427 CD GLN A 26 7.262 3.763 0.799 1.00 43.32 C ATOM 428 OE1 GLN A 26 7.054 3.913 2.002 1.00 3.24 O ATOM 429 NE2 GLN A 26 6.310 3.928 -0.092 1.00 32.32 N ATOM 0 H GLN A 26 9.497 -0.605 0.186 1.00 44.02 H new ATOM 0 HA GLN A 26 9.923 1.604 2.022 1.00 3.21 H new ATOM 0 HB2 GLN A 26 9.743 1.686 -0.543 1.00 22.44 H new ATOM 0 HB3 GLN A 26 8.026 1.393 -0.356 1.00 22.44 H new ATOM 0 HG2 GLN A 26 9.409 3.777 0.932 1.00 40.11 H new ATOM 0 HG3 GLN A 26 8.795 3.829 -0.708 1.00 40.11 H new ATOM 0 HE21 GLN A 26 6.511 3.797 -1.083 1.00 32.32 H new ATOM 0 HE22 GLN A 26 5.370 4.187 0.208 1.00 32.32 H new ATOM 438 N ILE A 27 6.847 0.342 1.772 1.00 3.32 N ATOM 439 CA ILE A 27 5.488 0.322 2.372 1.00 23.21 C ATOM 440 C ILE A 27 5.441 -0.468 3.706 1.00 22.12 C ATOM 441 O ILE A 27 4.942 0.032 4.720 1.00 0.32 O ATOM 442 CB ILE A 27 4.450 -0.260 1.339 1.00 70.32 C ATOM 443 CG1 ILE A 27 4.430 0.620 0.048 1.00 64.52 C ATOM 444 CG2 ILE A 27 3.028 -0.389 1.941 1.00 45.52 C ATOM 445 CD1 ILE A 27 3.461 0.158 -1.021 1.00 31.34 C ATOM 0 H ILE A 27 6.903 -0.152 0.882 1.00 3.32 H new ATOM 0 HA ILE A 27 5.219 1.351 2.609 1.00 23.21 H new ATOM 0 HB ILE A 27 4.773 -1.268 1.080 1.00 70.32 H new ATOM 0 HG12 ILE A 27 4.180 1.644 0.327 1.00 64.52 H new ATOM 0 HG13 ILE A 27 5.434 0.641 -0.376 1.00 64.52 H new ATOM 0 HG21 ILE A 27 2.350 -0.794 1.190 1.00 45.52 H new ATOM 0 HG22 ILE A 27 3.057 -1.057 2.802 1.00 45.52 H new ATOM 0 HG23 ILE A 27 2.675 0.593 2.255 1.00 45.52 H new ATOM 0 HD11 ILE A 27 3.517 0.829 -1.878 1.00 31.34 H new ATOM 0 HD12 ILE A 27 3.720 -0.853 -1.335 1.00 31.34 H new ATOM 0 HD13 ILE A 27 2.447 0.165 -0.621 1.00 31.34 H new ATOM 457 N PHE A 28 6.012 -1.681 3.707 1.00 25.52 N ATOM 458 CA PHE A 28 6.065 -2.558 4.910 1.00 72.41 C ATOM 459 C PHE A 28 7.275 -2.204 5.826 1.00 54.21 C ATOM 460 O PHE A 28 7.528 -2.902 6.808 1.00 3.23 O ATOM 461 CB PHE A 28 6.131 -4.047 4.474 1.00 44.05 C ATOM 462 CG PHE A 28 4.961 -4.503 3.588 1.00 23.42 C ATOM 463 CD1 PHE A 28 4.956 -4.245 2.215 1.00 5.04 C ATOM 464 CD2 PHE A 28 3.876 -5.197 4.123 1.00 14.33 C ATOM 465 CE1 PHE A 28 3.913 -4.664 1.412 1.00 50.24 C ATOM 466 CE2 PHE A 28 2.831 -5.616 3.315 1.00 71.22 C ATOM 467 CZ PHE A 28 2.849 -5.348 1.963 1.00 13.41 C ATOM 0 H PHE A 28 6.452 -2.091 2.883 1.00 25.52 H new ATOM 0 HA PHE A 28 5.157 -2.392 5.490 1.00 72.41 H new ATOM 0 HB2 PHE A 28 7.064 -4.214 3.936 1.00 44.05 H new ATOM 0 HB3 PHE A 28 6.160 -4.673 5.366 1.00 44.05 H new ATOM 0 HD1 PHE A 28 5.783 -3.708 1.773 1.00 5.04 H new ATOM 0 HD2 PHE A 28 3.850 -5.411 5.181 1.00 14.33 H new ATOM 0 HE1 PHE A 28 3.930 -4.456 0.352 1.00 50.24 H new ATOM 0 HE2 PHE A 28 2.000 -6.154 3.746 1.00 71.22 H new ATOM 0 HZ PHE A 28 2.032 -5.673 1.336 1.00 13.41 H new ATOM 477 N GLU A 29 7.955 -1.064 5.522 1.00 11.14 N ATOM 478 CA GLU A 29 9.189 -0.567 6.210 1.00 62.15 C ATOM 479 C GLU A 29 10.328 -1.617 6.368 1.00 45.41 C ATOM 480 O GLU A 29 11.249 -1.434 7.173 1.00 12.24 O ATOM 481 CB GLU A 29 8.778 0.064 7.572 1.00 52.51 C ATOM 482 CG GLU A 29 9.740 1.104 8.184 1.00 70.03 C ATOM 483 CD GLU A 29 9.172 1.742 9.471 1.00 30.23 C ATOM 484 OE1 GLU A 29 8.242 2.579 9.369 1.00 61.01 O ATOM 485 OE2 GLU A 29 9.621 1.387 10.582 1.00 53.32 O ATOM 0 H GLU A 29 7.654 -0.444 4.770 1.00 11.14 H new ATOM 0 HA GLU A 29 9.636 0.186 5.561 1.00 62.15 H new ATOM 0 HB2 GLU A 29 7.804 0.537 7.445 1.00 52.51 H new ATOM 0 HB3 GLU A 29 8.649 -0.743 8.293 1.00 52.51 H new ATOM 0 HG2 GLU A 29 10.693 0.626 8.408 1.00 70.03 H new ATOM 0 HG3 GLU A 29 9.940 1.886 7.451 1.00 70.03 H new ATOM 492 N ARG A 30 10.295 -2.684 5.557 1.00 65.54 N ATOM 493 CA ARG A 30 11.304 -3.760 5.606 1.00 62.43 C ATOM 494 C ARG A 30 11.260 -4.637 4.340 1.00 41.43 C ATOM 495 O ARG A 30 10.191 -4.896 3.771 1.00 51.22 O ATOM 496 CB ARG A 30 11.120 -4.648 6.867 1.00 43.42 C ATOM 497 CG ARG A 30 9.714 -5.268 7.019 1.00 2.12 C ATOM 498 CD ARG A 30 9.678 -6.390 8.066 1.00 44.10 C ATOM 499 NE ARG A 30 8.340 -6.982 8.215 1.00 14.21 N ATOM 500 CZ ARG A 30 8.094 -8.222 8.595 1.00 1.01 C ATOM 501 NH1 ARG A 30 9.063 -9.074 8.783 1.00 10.13 N ATOM 502 NH2 ARG A 30 6.873 -8.601 8.779 1.00 61.01 N ATOM 0 H ARG A 30 9.573 -2.828 4.851 1.00 65.54 H new ATOM 0 HA ARG A 30 12.279 -3.276 5.657 1.00 62.43 H new ATOM 0 HB2 ARG A 30 11.856 -5.452 6.839 1.00 43.42 H new ATOM 0 HB3 ARG A 30 11.336 -4.049 7.752 1.00 43.42 H new ATOM 0 HG2 ARG A 30 9.005 -4.489 7.301 1.00 2.12 H new ATOM 0 HG3 ARG A 30 9.388 -5.663 6.057 1.00 2.12 H new ATOM 0 HD2 ARG A 30 10.386 -7.169 7.783 1.00 44.10 H new ATOM 0 HD3 ARG A 30 10.006 -5.995 9.028 1.00 44.10 H new ATOM 0 HE ARG A 30 7.538 -6.387 8.008 1.00 14.21 H new ATOM 0 HH11 ARG A 30 10.031 -8.786 8.636 1.00 10.13 H new ATOM 0 HH12 ARG A 30 8.853 -10.028 9.077 1.00 10.13 H new ATOM 0 HH21 ARG A 30 6.107 -7.944 8.631 1.00 61.01 H new ATOM 0 HH22 ARG A 30 6.675 -9.557 9.073 1.00 61.01 H new ATOM 516 N ASP A 31 12.449 -5.068 3.910 1.00 0.34 N ATOM 517 CA ASP A 31 12.625 -5.991 2.776 1.00 53.12 C ATOM 518 C ASP A 31 12.015 -7.384 3.091 1.00 44.10 C ATOM 519 O ASP A 31 12.478 -8.101 3.982 1.00 52.51 O ATOM 520 CB ASP A 31 14.131 -6.088 2.402 1.00 5.44 C ATOM 521 CG ASP A 31 15.037 -6.508 3.581 1.00 43.24 C ATOM 522 OD1 ASP A 31 15.238 -5.690 4.513 1.00 12.24 O ATOM 523 OD2 ASP A 31 15.543 -7.649 3.589 1.00 31.40 O ATOM 0 H ASP A 31 13.329 -4.785 4.342 1.00 0.34 H new ATOM 0 HA ASP A 31 12.087 -5.599 1.913 1.00 53.12 H new ATOM 0 HB2 ASP A 31 14.249 -6.806 1.590 1.00 5.44 H new ATOM 0 HB3 ASP A 31 14.466 -5.122 2.024 1.00 5.44 H new ATOM 528 N ILE A 32 10.924 -7.720 2.394 1.00 15.02 N ATOM 529 CA ILE A 32 10.269 -9.037 2.521 1.00 35.14 C ATOM 530 C ILE A 32 11.052 -10.097 1.710 1.00 71.51 C ATOM 531 O ILE A 32 11.450 -9.834 0.566 1.00 52.03 O ATOM 532 CB ILE A 32 8.763 -8.961 2.053 1.00 10.32 C ATOM 533 CG1 ILE A 32 7.997 -7.897 2.911 1.00 72.24 C ATOM 534 CG2 ILE A 32 8.062 -10.354 2.113 1.00 64.12 C ATOM 535 CD1 ILE A 32 6.545 -7.679 2.524 1.00 62.13 C ATOM 0 H ILE A 32 10.469 -7.095 1.729 1.00 15.02 H new ATOM 0 HA ILE A 32 10.274 -9.332 3.570 1.00 35.14 H new ATOM 0 HB ILE A 32 8.744 -8.651 1.008 1.00 10.32 H new ATOM 0 HG12 ILE A 32 8.036 -8.201 3.957 1.00 72.24 H new ATOM 0 HG13 ILE A 32 8.523 -6.945 2.836 1.00 72.24 H new ATOM 0 HG21 ILE A 32 7.028 -10.255 1.783 1.00 64.12 H new ATOM 0 HG22 ILE A 32 8.586 -11.053 1.462 1.00 64.12 H new ATOM 0 HG23 ILE A 32 8.082 -10.727 3.137 1.00 64.12 H new ATOM 0 HD11 ILE A 32 6.104 -6.925 3.176 1.00 62.13 H new ATOM 0 HD12 ILE A 32 6.491 -7.340 1.489 1.00 62.13 H new ATOM 0 HD13 ILE A 32 5.996 -8.615 2.628 1.00 62.13 H new ATOM 547 N ALA A 33 11.268 -11.274 2.339 1.00 33.31 N ATOM 548 CA ALA A 33 11.997 -12.405 1.738 1.00 33.53 C ATOM 549 C ALA A 33 11.354 -12.814 0.385 1.00 1.52 C ATOM 550 O ALA A 33 10.155 -13.097 0.359 1.00 2.35 O ATOM 551 CB ALA A 33 12.010 -13.587 2.719 1.00 72.41 C ATOM 0 H ALA A 33 10.937 -11.463 3.285 1.00 33.31 H new ATOM 0 HA ALA A 33 13.025 -12.102 1.538 1.00 33.53 H new ATOM 0 HB1 ALA A 33 12.549 -14.423 2.274 1.00 72.41 H new ATOM 0 HB2 ALA A 33 12.504 -13.287 3.643 1.00 72.41 H new ATOM 0 HB3 ALA A 33 10.986 -13.890 2.937 1.00 72.41 H new ATOM 557 N PRO A 34 12.139 -12.832 -0.755 1.00 61.02 N ATOM 558 CA PRO A 34 11.587 -13.009 -2.138 1.00 62.53 C ATOM 559 C PRO A 34 10.705 -14.273 -2.310 1.00 42.25 C ATOM 560 O PRO A 34 9.681 -14.234 -2.993 1.00 12.24 O ATOM 561 CB PRO A 34 12.863 -13.071 -3.039 1.00 12.21 C ATOM 562 CG PRO A 34 14.000 -13.342 -2.091 1.00 61.31 C ATOM 563 CD PRO A 34 13.619 -12.668 -0.794 1.00 22.25 C ATOM 0 HA PRO A 34 10.908 -12.197 -2.397 1.00 62.53 H new ATOM 0 HB2 PRO A 34 12.779 -13.858 -3.788 1.00 12.21 H new ATOM 0 HB3 PRO A 34 13.012 -12.134 -3.576 1.00 12.21 H new ATOM 0 HG2 PRO A 34 14.144 -14.413 -1.948 1.00 61.31 H new ATOM 0 HG3 PRO A 34 14.937 -12.943 -2.479 1.00 61.31 H new ATOM 0 HD2 PRO A 34 14.100 -13.140 0.063 1.00 22.25 H new ATOM 0 HD3 PRO A 34 13.909 -11.617 -0.784 1.00 22.25 H new ATOM 571 N TYR A 35 11.107 -15.373 -1.650 1.00 73.15 N ATOM 572 CA TYR A 35 10.369 -16.661 -1.671 1.00 63.22 C ATOM 573 C TYR A 35 8.993 -16.589 -0.940 1.00 43.44 C ATOM 574 O TYR A 35 8.105 -17.388 -1.226 1.00 2.41 O ATOM 575 CB TYR A 35 11.258 -17.807 -1.097 1.00 53.31 C ATOM 576 CG TYR A 35 11.899 -17.528 0.285 1.00 14.21 C ATOM 577 CD1 TYR A 35 13.140 -16.885 0.389 1.00 45.32 C ATOM 578 CD2 TYR A 35 11.274 -17.917 1.474 1.00 50.02 C ATOM 579 CE1 TYR A 35 13.726 -16.648 1.617 1.00 21.53 C ATOM 580 CE2 TYR A 35 11.860 -17.675 2.704 1.00 62.42 C ATOM 581 CZ TYR A 35 13.083 -17.045 2.770 1.00 42.13 C ATOM 582 OH TYR A 35 13.671 -16.808 3.994 1.00 53.14 O ATOM 0 H TYR A 35 11.955 -15.400 -1.083 1.00 73.15 H new ATOM 0 HA TYR A 35 10.142 -16.881 -2.714 1.00 63.22 H new ATOM 0 HB2 TYR A 35 10.652 -18.710 -1.021 1.00 53.31 H new ATOM 0 HB3 TYR A 35 12.054 -18.017 -1.811 1.00 53.31 H new ATOM 0 HD1 TYR A 35 13.649 -16.568 -0.510 1.00 45.32 H new ATOM 0 HD2 TYR A 35 10.317 -18.415 1.432 1.00 50.02 H new ATOM 0 HE1 TYR A 35 14.684 -16.153 1.674 1.00 21.53 H new ATOM 0 HE2 TYR A 35 11.359 -17.980 3.611 1.00 62.42 H new ATOM 0 HH TYR A 35 13.090 -17.147 4.707 1.00 53.14 H new ATOM 592 N ILE A 36 8.842 -15.648 0.020 1.00 52.21 N ATOM 593 CA ILE A 36 7.533 -15.342 0.665 1.00 32.44 C ATOM 594 C ILE A 36 6.711 -14.357 -0.205 1.00 2.42 C ATOM 595 O ILE A 36 5.505 -14.547 -0.407 1.00 52.52 O ATOM 596 CB ILE A 36 7.725 -14.723 2.107 1.00 52.53 C ATOM 597 CG1 ILE A 36 8.541 -15.697 3.015 1.00 53.32 C ATOM 598 CG2 ILE A 36 6.363 -14.358 2.766 1.00 4.15 C ATOM 599 CD1 ILE A 36 8.800 -15.196 4.428 1.00 35.23 C ATOM 0 H ILE A 36 9.614 -15.081 0.371 1.00 52.21 H new ATOM 0 HA ILE A 36 6.995 -16.285 0.759 1.00 32.44 H new ATOM 0 HB ILE A 36 8.288 -13.796 1.997 1.00 52.53 H new ATOM 0 HG12 ILE A 36 8.008 -16.646 3.074 1.00 53.32 H new ATOM 0 HG13 ILE A 36 9.499 -15.899 2.536 1.00 53.32 H new ATOM 0 HG21 ILE A 36 6.539 -13.936 3.755 1.00 4.15 H new ATOM 0 HG22 ILE A 36 5.843 -13.627 2.147 1.00 4.15 H new ATOM 0 HG23 ILE A 36 5.751 -15.255 2.858 1.00 4.15 H new ATOM 0 HD11 ILE A 36 9.373 -15.942 4.979 1.00 35.23 H new ATOM 0 HD12 ILE A 36 9.364 -14.264 4.386 1.00 35.23 H new ATOM 0 HD13 ILE A 36 7.849 -15.023 4.933 1.00 35.23 H new ATOM 611 N ALA A 37 7.397 -13.310 -0.710 1.00 65.45 N ATOM 612 CA ALA A 37 6.783 -12.223 -1.511 1.00 41.02 C ATOM 613 C ALA A 37 6.038 -12.764 -2.759 1.00 61.23 C ATOM 614 O ALA A 37 4.887 -12.401 -3.011 1.00 10.13 O ATOM 615 CB ALA A 37 7.866 -11.209 -1.919 1.00 50.33 C ATOM 0 H ALA A 37 8.401 -13.192 -0.574 1.00 65.45 H new ATOM 0 HA ALA A 37 6.036 -11.728 -0.890 1.00 41.02 H new ATOM 0 HB1 ALA A 37 7.414 -10.411 -2.508 1.00 50.33 H new ATOM 0 HB2 ALA A 37 8.324 -10.786 -1.025 1.00 50.33 H new ATOM 0 HB3 ALA A 37 8.629 -11.711 -2.514 1.00 50.33 H new ATOM 621 N GLN A 38 6.693 -13.681 -3.490 1.00 65.42 N ATOM 622 CA GLN A 38 6.111 -14.317 -4.699 1.00 44.20 C ATOM 623 C GLN A 38 5.000 -15.328 -4.338 1.00 41.04 C ATOM 624 O GLN A 38 4.123 -15.607 -5.143 1.00 52.25 O ATOM 625 CB GLN A 38 7.214 -15.043 -5.519 1.00 4.31 C ATOM 626 CG GLN A 38 7.908 -16.221 -4.797 1.00 43.45 C ATOM 627 CD GLN A 38 8.941 -16.960 -5.656 1.00 50.30 C ATOM 628 OE1 GLN A 38 9.946 -17.449 -5.153 1.00 60.24 O ATOM 629 NE2 GLN A 38 8.688 -17.097 -6.951 1.00 52.15 N ATOM 0 H GLN A 38 7.634 -14.005 -3.268 1.00 65.42 H new ATOM 0 HA GLN A 38 5.671 -13.519 -5.298 1.00 44.20 H new ATOM 0 HB2 GLN A 38 6.771 -15.415 -6.443 1.00 4.31 H new ATOM 0 HB3 GLN A 38 7.973 -14.313 -5.801 1.00 4.31 H new ATOM 0 HG2 GLN A 38 8.400 -15.845 -3.900 1.00 43.45 H new ATOM 0 HG3 GLN A 38 7.148 -16.931 -4.470 1.00 43.45 H new ATOM 0 HE21 GLN A 38 7.847 -16.683 -7.353 1.00 52.15 H new ATOM 0 HE22 GLN A 38 9.335 -17.616 -7.545 1.00 52.15 H new ATOM 638 N ASN A 39 5.067 -15.872 -3.122 1.00 2.03 N ATOM 639 CA ASN A 39 4.215 -16.992 -2.679 1.00 51.21 C ATOM 640 C ASN A 39 2.798 -16.497 -2.310 1.00 51.03 C ATOM 641 O ASN A 39 1.792 -17.077 -2.728 1.00 12.42 O ATOM 642 CB ASN A 39 4.902 -17.666 -1.468 1.00 42.05 C ATOM 643 CG ASN A 39 4.530 -19.127 -1.260 1.00 62.41 C ATOM 644 OD1 ASN A 39 3.431 -19.573 -1.566 1.00 14.21 O ATOM 645 ND2 ASN A 39 5.471 -19.886 -0.753 1.00 41.45 N ATOM 0 H ASN A 39 5.718 -15.549 -2.406 1.00 2.03 H new ATOM 0 HA ASN A 39 4.097 -17.713 -3.488 1.00 51.21 H new ATOM 0 HB2 ASN A 39 5.982 -17.594 -1.594 1.00 42.05 H new ATOM 0 HB3 ASN A 39 4.648 -17.108 -0.566 1.00 42.05 H new ATOM 0 HD21 ASN A 39 5.299 -20.880 -0.603 1.00 41.45 H new ATOM 0 HD22 ASN A 39 6.375 -19.483 -0.509 1.00 41.45 H new ATOM 652 N GLU A 40 2.749 -15.411 -1.522 1.00 12.35 N ATOM 653 CA GLU A 40 1.483 -14.781 -1.084 1.00 51.43 C ATOM 654 C GLU A 40 0.853 -13.960 -2.233 1.00 52.23 C ATOM 655 O GLU A 40 -0.371 -13.855 -2.351 1.00 72.31 O ATOM 656 CB GLU A 40 1.742 -13.860 0.144 1.00 14.53 C ATOM 657 CG GLU A 40 2.546 -14.510 1.294 1.00 40.41 C ATOM 658 CD GLU A 40 1.968 -15.858 1.764 1.00 72.41 C ATOM 659 OE1 GLU A 40 0.871 -15.868 2.360 1.00 2.04 O ATOM 660 OE2 GLU A 40 2.599 -16.914 1.528 1.00 2.51 O ATOM 0 H GLU A 40 3.583 -14.942 -1.168 1.00 12.35 H new ATOM 0 HA GLU A 40 0.787 -15.571 -0.801 1.00 51.43 H new ATOM 0 HB2 GLU A 40 2.275 -12.971 -0.194 1.00 14.53 H new ATOM 0 HB3 GLU A 40 0.782 -13.526 0.537 1.00 14.53 H new ATOM 0 HG2 GLU A 40 3.575 -14.659 0.968 1.00 40.41 H new ATOM 0 HG3 GLU A 40 2.576 -13.822 2.139 1.00 40.41 H new ATOM 667 N PHE A 41 1.726 -13.382 -3.070 1.00 72.24 N ATOM 668 CA PHE A 41 1.333 -12.507 -4.199 1.00 43.12 C ATOM 669 C PHE A 41 1.628 -13.189 -5.563 1.00 4.21 C ATOM 670 O PHE A 41 2.097 -12.542 -6.492 1.00 21.20 O ATOM 671 CB PHE A 41 2.081 -11.147 -4.071 1.00 32.05 C ATOM 672 CG PHE A 41 1.814 -10.399 -2.757 1.00 21.43 C ATOM 673 CD1 PHE A 41 0.684 -9.597 -2.609 1.00 13.21 C ATOM 674 CD2 PHE A 41 2.693 -10.499 -1.670 1.00 24.24 C ATOM 675 CE1 PHE A 41 0.443 -8.918 -1.429 1.00 0.22 C ATOM 676 CE2 PHE A 41 2.449 -9.819 -0.489 1.00 61.44 C ATOM 677 CZ PHE A 41 1.324 -9.030 -0.370 1.00 73.42 C ATOM 0 H PHE A 41 2.735 -13.506 -2.987 1.00 72.24 H new ATOM 0 HA PHE A 41 0.259 -12.327 -4.160 1.00 43.12 H new ATOM 0 HB2 PHE A 41 3.152 -11.325 -4.162 1.00 32.05 H new ATOM 0 HB3 PHE A 41 1.792 -10.507 -4.905 1.00 32.05 H new ATOM 0 HD1 PHE A 41 -0.014 -9.504 -3.428 1.00 13.21 H new ATOM 0 HD2 PHE A 41 3.575 -11.117 -1.755 1.00 24.24 H new ATOM 0 HE1 PHE A 41 -0.436 -8.298 -1.334 1.00 0.22 H new ATOM 0 HE2 PHE A 41 3.138 -9.906 0.338 1.00 61.44 H new ATOM 0 HZ PHE A 41 1.131 -8.500 0.551 1.00 73.42 H new ATOM 687 N SER A 42 1.308 -14.497 -5.681 1.00 4.10 N ATOM 688 CA SER A 42 1.562 -15.294 -6.924 1.00 52.25 C ATOM 689 C SER A 42 0.663 -14.850 -8.105 1.00 34.34 C ATOM 690 O SER A 42 1.135 -14.686 -9.241 1.00 75.14 O ATOM 691 CB SER A 42 1.363 -16.804 -6.640 1.00 51.41 C ATOM 692 OG SER A 42 1.712 -17.599 -7.763 1.00 43.32 O ATOM 0 H SER A 42 0.871 -15.034 -4.932 1.00 4.10 H new ATOM 0 HA SER A 42 2.595 -15.110 -7.219 1.00 52.25 H new ATOM 0 HB2 SER A 42 1.971 -17.097 -5.784 1.00 51.41 H new ATOM 0 HB3 SER A 42 0.323 -16.990 -6.371 1.00 51.41 H new ATOM 0 HG SER A 42 1.576 -18.546 -7.549 1.00 43.32 H new ATOM 698 N GLY A 43 -0.632 -14.630 -7.813 1.00 1.02 N ATOM 699 CA GLY A 43 -1.598 -14.114 -8.802 1.00 31.23 C ATOM 700 C GLY A 43 -1.432 -12.605 -9.029 1.00 42.32 C ATOM 701 O GLY A 43 -1.727 -12.077 -10.111 1.00 31.43 O ATOM 0 H GLY A 43 -1.036 -14.803 -6.893 1.00 1.02 H new ATOM 0 HA2 GLY A 43 -1.466 -14.640 -9.747 1.00 31.23 H new ATOM 0 HA3 GLY A 43 -2.612 -14.321 -8.461 1.00 31.23 H new ATOM 705 N TRP A 44 -0.917 -11.934 -7.984 1.00 64.31 N ATOM 706 CA TRP A 44 -0.814 -10.465 -7.915 1.00 21.31 C ATOM 707 C TRP A 44 0.446 -9.974 -8.670 1.00 62.03 C ATOM 708 O TRP A 44 0.445 -8.891 -9.265 1.00 3.44 O ATOM 709 CB TRP A 44 -0.815 -10.010 -6.431 1.00 32.15 C ATOM 710 CG TRP A 44 -1.143 -8.548 -6.218 1.00 13.44 C ATOM 711 CD1 TRP A 44 -0.429 -7.630 -5.498 1.00 75.11 C ATOM 712 CD2 TRP A 44 -2.295 -7.847 -6.725 1.00 53.00 C ATOM 713 NE1 TRP A 44 -1.059 -6.415 -5.531 1.00 64.43 N ATOM 714 CE2 TRP A 44 -2.201 -6.522 -6.284 1.00 61.32 C ATOM 715 CE3 TRP A 44 -3.390 -8.212 -7.521 1.00 31.41 C ATOM 716 CZ2 TRP A 44 -3.167 -5.569 -6.596 1.00 50.22 C ATOM 717 CZ3 TRP A 44 -4.344 -7.267 -7.835 1.00 74.43 C ATOM 718 CH2 TRP A 44 -4.223 -5.952 -7.379 1.00 54.44 C ATOM 0 H TRP A 44 -0.556 -12.402 -7.153 1.00 64.31 H new ATOM 0 HA TRP A 44 -1.678 -10.016 -8.405 1.00 21.31 H new ATOM 0 HB2 TRP A 44 -1.536 -10.614 -5.880 1.00 32.15 H new ATOM 0 HB3 TRP A 44 0.166 -10.215 -6.002 1.00 32.15 H new ATOM 0 HD1 TRP A 44 0.496 -7.834 -4.979 1.00 75.11 H new ATOM 0 HE1 TRP A 44 -0.732 -5.566 -5.070 1.00 64.43 H new ATOM 0 HE3 TRP A 44 -3.485 -9.224 -7.885 1.00 31.41 H new ATOM 0 HZ2 TRP A 44 -3.086 -4.556 -6.231 1.00 50.22 H new ATOM 0 HZ3 TRP A 44 -5.194 -7.547 -8.440 1.00 74.43 H new ATOM 0 HH2 TRP A 44 -4.975 -5.225 -7.649 1.00 54.44 H new ATOM 729 N GLU A 45 1.499 -10.820 -8.676 1.00 2.43 N ATOM 730 CA GLU A 45 2.737 -10.595 -9.459 1.00 4.51 C ATOM 731 C GLU A 45 2.411 -10.736 -10.957 1.00 31.24 C ATOM 732 O GLU A 45 2.877 -9.949 -11.769 1.00 51.34 O ATOM 733 CB GLU A 45 3.840 -11.615 -9.007 1.00 73.41 C ATOM 734 CG GLU A 45 5.250 -11.478 -9.663 1.00 34.44 C ATOM 735 CD GLU A 45 5.384 -12.094 -11.079 1.00 33.21 C ATOM 736 OE1 GLU A 45 5.348 -13.342 -11.201 1.00 71.30 O ATOM 737 OE2 GLU A 45 5.497 -11.341 -12.076 1.00 14.41 O ATOM 0 H GLU A 45 1.515 -11.684 -8.135 1.00 2.43 H new ATOM 0 HA GLU A 45 3.124 -9.591 -9.283 1.00 4.51 H new ATOM 0 HB2 GLU A 45 3.960 -11.527 -7.927 1.00 73.41 H new ATOM 0 HB3 GLU A 45 3.471 -12.621 -9.206 1.00 73.41 H new ATOM 0 HG2 GLU A 45 5.505 -10.420 -9.719 1.00 34.44 H new ATOM 0 HG3 GLU A 45 5.984 -11.948 -9.009 1.00 34.44 H new ATOM 744 N SER A 46 1.584 -11.753 -11.292 1.00 4.23 N ATOM 745 CA SER A 46 1.089 -11.991 -12.675 1.00 30.45 C ATOM 746 C SER A 46 0.340 -10.754 -13.244 1.00 31.24 C ATOM 747 O SER A 46 0.447 -10.448 -14.436 1.00 71.40 O ATOM 748 CB SER A 46 0.162 -13.231 -12.697 1.00 22.14 C ATOM 749 OG SER A 46 -0.299 -13.529 -14.009 1.00 0.00 O ATOM 0 H SER A 46 1.239 -12.433 -10.615 1.00 4.23 H new ATOM 0 HA SER A 46 1.956 -12.171 -13.311 1.00 30.45 H new ATOM 0 HB2 SER A 46 0.698 -14.092 -12.297 1.00 22.14 H new ATOM 0 HB3 SER A 46 -0.693 -13.056 -12.043 1.00 22.14 H new ATOM 0 HG SER A 46 -0.879 -14.318 -13.980 1.00 0.00 H new ATOM 755 N LYS A 47 -0.397 -10.034 -12.370 1.00 60.10 N ATOM 756 CA LYS A 47 -1.069 -8.759 -12.738 1.00 72.54 C ATOM 757 C LYS A 47 -0.036 -7.681 -13.169 1.00 33.11 C ATOM 758 O LYS A 47 -0.247 -6.948 -14.140 1.00 23.03 O ATOM 759 CB LYS A 47 -1.904 -8.224 -11.546 1.00 1.13 C ATOM 760 CG LYS A 47 -3.032 -9.137 -10.997 1.00 33.21 C ATOM 761 CD LYS A 47 -4.240 -9.338 -11.959 1.00 35.42 C ATOM 762 CE LYS A 47 -4.042 -10.487 -12.964 1.00 71.12 C ATOM 763 NZ LYS A 47 -3.860 -11.798 -12.282 1.00 33.01 N ATOM 0 H LYS A 47 -0.545 -10.312 -11.400 1.00 60.10 H new ATOM 0 HA LYS A 47 -1.728 -8.966 -13.581 1.00 72.54 H new ATOM 0 HB2 LYS A 47 -1.219 -8.005 -10.727 1.00 1.13 H new ATOM 0 HB3 LYS A 47 -2.353 -7.278 -11.847 1.00 1.13 H new ATOM 0 HG2 LYS A 47 -2.607 -10.113 -10.762 1.00 33.21 H new ATOM 0 HG3 LYS A 47 -3.398 -8.715 -10.061 1.00 33.21 H new ATOM 0 HD2 LYS A 47 -5.135 -9.533 -11.369 1.00 35.42 H new ATOM 0 HD3 LYS A 47 -4.415 -8.413 -12.508 1.00 35.42 H new ATOM 0 HE2 LYS A 47 -4.904 -10.540 -13.628 1.00 71.12 H new ATOM 0 HE3 LYS A 47 -3.172 -10.278 -13.587 1.00 71.12 H new ATOM 0 HZ1 LYS A 47 -3.950 -12.566 -12.977 1.00 33.01 H new ATOM 0 HZ2 LYS A 47 -2.917 -11.834 -11.846 1.00 33.01 H new ATOM 0 HZ3 LYS A 47 -4.586 -11.910 -11.546 1.00 33.01 H new ATOM 777 N LEU A 48 1.071 -7.604 -12.411 1.00 45.31 N ATOM 778 CA LEU A 48 2.200 -6.687 -12.694 1.00 51.41 C ATOM 779 C LEU A 48 3.032 -7.168 -13.914 1.00 55.41 C ATOM 780 O LEU A 48 3.498 -6.349 -14.710 1.00 2.34 O ATOM 781 CB LEU A 48 3.115 -6.578 -11.437 1.00 53.02 C ATOM 782 CG LEU A 48 4.322 -5.582 -11.531 1.00 40.24 C ATOM 783 CD1 LEU A 48 3.846 -4.115 -11.652 1.00 13.55 C ATOM 784 CD2 LEU A 48 5.289 -5.764 -10.338 1.00 0.14 C ATOM 0 H LEU A 48 1.213 -8.177 -11.579 1.00 45.31 H new ATOM 0 HA LEU A 48 1.788 -5.707 -12.936 1.00 51.41 H new ATOM 0 HB2 LEU A 48 2.496 -6.284 -10.590 1.00 53.02 H new ATOM 0 HB3 LEU A 48 3.508 -7.570 -11.215 1.00 53.02 H new ATOM 0 HG LEU A 48 4.870 -5.818 -12.443 1.00 40.24 H new ATOM 0 HD11 LEU A 48 4.712 -3.456 -11.715 1.00 13.55 H new ATOM 0 HD12 LEU A 48 3.238 -4.003 -12.550 1.00 13.55 H new ATOM 0 HD13 LEU A 48 3.252 -3.852 -10.777 1.00 13.55 H new ATOM 0 HD21 LEU A 48 6.116 -5.060 -10.430 1.00 0.14 H new ATOM 0 HD22 LEU A 48 4.756 -5.578 -9.406 1.00 0.14 H new ATOM 0 HD23 LEU A 48 5.677 -6.782 -10.337 1.00 0.14 H new ATOM 796 N GLY A 49 3.182 -8.505 -14.061 1.00 34.41 N ATOM 797 CA GLY A 49 4.082 -9.113 -15.054 1.00 11.14 C ATOM 798 C GLY A 49 3.540 -9.037 -16.484 1.00 15.20 C ATOM 799 O GLY A 49 4.257 -8.667 -17.417 1.00 63.10 O ATOM 0 H GLY A 49 2.680 -9.187 -13.492 1.00 34.41 H new ATOM 0 HA2 GLY A 49 5.050 -8.613 -15.012 1.00 11.14 H new ATOM 0 HA3 GLY A 49 4.251 -10.157 -14.791 1.00 11.14 H new ATOM 803 N ASN A 50 2.262 -9.426 -16.661 1.00 12.52 N ATOM 804 CA ASN A 50 1.532 -9.263 -17.949 1.00 65.11 C ATOM 805 C ASN A 50 1.031 -7.806 -18.177 1.00 40.04 C ATOM 806 O ASN A 50 0.392 -7.530 -19.196 1.00 32.33 O ATOM 807 CB ASN A 50 0.340 -10.256 -18.012 1.00 54.54 C ATOM 808 CG ASN A 50 0.775 -11.721 -17.896 1.00 74.04 C ATOM 809 OD1 ASN A 50 1.154 -12.344 -18.880 1.00 52.11 O ATOM 810 ND2 ASN A 50 0.701 -12.288 -16.705 1.00 41.12 N ATOM 0 H ASN A 50 1.704 -9.860 -15.926 1.00 12.52 H new ATOM 0 HA ASN A 50 2.239 -9.483 -18.749 1.00 65.11 H new ATOM 0 HB2 ASN A 50 -0.360 -10.026 -17.209 1.00 54.54 H new ATOM 0 HB3 ASN A 50 -0.194 -10.115 -18.951 1.00 54.54 H new ATOM 0 HD21 ASN A 50 0.963 -13.267 -16.589 1.00 41.12 H new ATOM 0 HD22 ASN A 50 0.382 -11.747 -15.901 1.00 41.12 H new ATOM 817 N GLY A 51 1.367 -6.885 -17.243 1.00 30.12 N ATOM 818 CA GLY A 51 0.926 -5.480 -17.310 1.00 53.04 C ATOM 819 C GLY A 51 -0.600 -5.286 -17.363 1.00 74.22 C ATOM 820 O GLY A 51 -1.092 -4.360 -18.014 1.00 54.01 O ATOM 0 H GLY A 51 1.946 -7.097 -16.431 1.00 30.12 H new ATOM 0 HA2 GLY A 51 1.316 -4.949 -16.441 1.00 53.04 H new ATOM 0 HA3 GLY A 51 1.368 -5.016 -18.192 1.00 53.04 H new ATOM 824 N GLU A 52 -1.340 -6.171 -16.677 1.00 23.14 N ATOM 825 CA GLU A 52 -2.823 -6.098 -16.575 1.00 3.20 C ATOM 826 C GLU A 52 -3.277 -4.877 -15.737 1.00 71.14 C ATOM 827 O GLU A 52 -4.367 -4.328 -15.945 1.00 14.33 O ATOM 828 CB GLU A 52 -3.365 -7.406 -15.935 1.00 34.13 C ATOM 829 CG GLU A 52 -2.998 -8.700 -16.694 1.00 63.44 C ATOM 830 CD GLU A 52 -3.573 -8.758 -18.122 1.00 73.44 C ATOM 831 OE1 GLU A 52 -4.774 -9.079 -18.274 1.00 2.30 O ATOM 832 OE2 GLU A 52 -2.835 -8.464 -19.094 1.00 1.40 O ATOM 0 H GLU A 52 -0.936 -6.961 -16.174 1.00 23.14 H new ATOM 0 HA GLU A 52 -3.226 -5.981 -17.581 1.00 3.20 H new ATOM 0 HB2 GLU A 52 -2.985 -7.479 -14.916 1.00 34.13 H new ATOM 0 HB3 GLU A 52 -4.451 -7.337 -15.867 1.00 34.13 H new ATOM 0 HG2 GLU A 52 -1.913 -8.787 -16.744 1.00 63.44 H new ATOM 0 HG3 GLU A 52 -3.361 -9.559 -16.129 1.00 63.44 H new ATOM 839 N ILE A 53 -2.402 -4.469 -14.795 1.00 11.55 N ATOM 840 CA ILE A 53 -2.652 -3.359 -13.846 1.00 42.50 C ATOM 841 C ILE A 53 -1.456 -2.372 -13.843 1.00 45.13 C ATOM 842 O ILE A 53 -0.405 -2.644 -14.445 1.00 45.15 O ATOM 843 CB ILE A 53 -2.910 -3.891 -12.372 1.00 24.13 C ATOM 844 CG1 ILE A 53 -1.599 -4.432 -11.706 1.00 21.14 C ATOM 845 CG2 ILE A 53 -4.025 -4.976 -12.352 1.00 3.22 C ATOM 846 CD1 ILE A 53 -1.762 -4.870 -10.258 1.00 72.14 C ATOM 0 H ILE A 53 -1.489 -4.906 -14.669 1.00 11.55 H new ATOM 0 HA ILE A 53 -3.551 -2.841 -14.181 1.00 42.50 H new ATOM 0 HB ILE A 53 -3.250 -3.040 -11.782 1.00 24.13 H new ATOM 0 HG12 ILE A 53 -1.232 -5.277 -12.289 1.00 21.14 H new ATOM 0 HG13 ILE A 53 -0.835 -3.656 -11.754 1.00 21.14 H new ATOM 0 HG21 ILE A 53 -4.179 -5.321 -11.329 1.00 3.22 H new ATOM 0 HG22 ILE A 53 -4.953 -4.551 -12.735 1.00 3.22 H new ATOM 0 HG23 ILE A 53 -3.725 -5.817 -12.977 1.00 3.22 H new ATOM 0 HD11 ILE A 53 -0.806 -5.230 -9.877 1.00 72.14 H new ATOM 0 HD12 ILE A 53 -2.097 -4.024 -9.658 1.00 72.14 H new ATOM 0 HD13 ILE A 53 -2.500 -5.670 -10.201 1.00 72.14 H new ATOM 858 N THR A 54 -1.637 -1.219 -13.178 1.00 15.04 N ATOM 859 CA THR A 54 -0.544 -0.260 -12.907 1.00 22.11 C ATOM 860 C THR A 54 0.121 -0.577 -11.551 1.00 62.14 C ATOM 861 O THR A 54 -0.440 -1.318 -10.736 1.00 12.14 O ATOM 862 CB THR A 54 -1.071 1.217 -12.907 1.00 4.34 C ATOM 863 OG1 THR A 54 -2.035 1.418 -11.848 1.00 11.44 O ATOM 864 CG2 THR A 54 -1.706 1.583 -14.265 1.00 4.21 C ATOM 0 H THR A 54 -2.542 -0.922 -12.812 1.00 15.04 H new ATOM 0 HA THR A 54 0.193 -0.361 -13.703 1.00 22.11 H new ATOM 0 HB THR A 54 -0.215 1.870 -12.737 1.00 4.34 H new ATOM 0 HG1 THR A 54 -2.350 2.346 -11.864 1.00 11.44 H new ATOM 0 HG21 THR A 54 -2.062 2.613 -14.234 1.00 4.21 H new ATOM 0 HG22 THR A 54 -0.961 1.480 -15.054 1.00 4.21 H new ATOM 0 HG23 THR A 54 -2.544 0.915 -14.467 1.00 4.21 H new ATOM 872 N VAL A 55 1.322 -0.011 -11.314 1.00 30.40 N ATOM 873 CA VAL A 55 2.072 -0.225 -10.051 1.00 74.11 C ATOM 874 C VAL A 55 1.305 0.397 -8.852 1.00 12.44 C ATOM 875 O VAL A 55 1.255 -0.189 -7.788 1.00 51.33 O ATOM 876 CB VAL A 55 3.546 0.329 -10.138 1.00 51.40 C ATOM 877 CG1 VAL A 55 4.337 0.082 -8.825 1.00 1.02 C ATOM 878 CG2 VAL A 55 4.294 -0.285 -11.349 1.00 63.33 C ATOM 0 H VAL A 55 1.797 0.599 -11.979 1.00 30.40 H new ATOM 0 HA VAL A 55 2.149 -1.300 -9.890 1.00 74.11 H new ATOM 0 HB VAL A 55 3.478 1.408 -10.280 1.00 51.40 H new ATOM 0 HG11 VAL A 55 5.347 0.479 -8.928 1.00 1.02 H new ATOM 0 HG12 VAL A 55 3.834 0.582 -7.997 1.00 1.02 H new ATOM 0 HG13 VAL A 55 4.387 -0.989 -8.626 1.00 1.02 H new ATOM 0 HG21 VAL A 55 5.309 0.111 -11.389 1.00 63.33 H new ATOM 0 HG22 VAL A 55 4.332 -1.369 -11.242 1.00 63.33 H new ATOM 0 HG23 VAL A 55 3.768 -0.030 -12.269 1.00 63.33 H new ATOM 888 N LYS A 56 0.730 1.599 -9.045 1.00 34.11 N ATOM 889 CA LYS A 56 -0.346 2.167 -8.171 1.00 63.13 C ATOM 890 C LYS A 56 -1.438 1.132 -7.741 1.00 13.11 C ATOM 891 O LYS A 56 -1.689 0.941 -6.545 1.00 44.10 O ATOM 892 CB LYS A 56 -0.994 3.322 -8.977 1.00 21.12 C ATOM 893 CG LYS A 56 -2.166 4.079 -8.318 1.00 73.43 C ATOM 894 CD LYS A 56 -2.709 5.197 -9.244 1.00 51.25 C ATOM 895 CE LYS A 56 -3.825 6.038 -8.613 1.00 11.23 C ATOM 896 NZ LYS A 56 -4.282 7.112 -9.530 1.00 53.50 N ATOM 0 H LYS A 56 0.992 2.217 -9.813 1.00 34.11 H new ATOM 0 HA LYS A 56 0.103 2.501 -7.235 1.00 63.13 H new ATOM 0 HB2 LYS A 56 -0.215 4.047 -9.212 1.00 21.12 H new ATOM 0 HB3 LYS A 56 -1.347 2.915 -9.925 1.00 21.12 H new ATOM 0 HG2 LYS A 56 -2.967 3.378 -8.083 1.00 73.43 H new ATOM 0 HG3 LYS A 56 -1.836 4.514 -7.375 1.00 73.43 H new ATOM 0 HD2 LYS A 56 -1.886 5.855 -9.525 1.00 51.25 H new ATOM 0 HD3 LYS A 56 -3.083 4.745 -10.163 1.00 51.25 H new ATOM 0 HE2 LYS A 56 -4.667 5.394 -8.357 1.00 11.23 H new ATOM 0 HE3 LYS A 56 -3.467 6.480 -7.683 1.00 11.23 H new ATOM 0 HZ1 LYS A 56 -4.827 7.817 -8.994 1.00 53.50 H new ATOM 0 HZ2 LYS A 56 -3.457 7.570 -9.966 1.00 53.50 H new ATOM 0 HZ3 LYS A 56 -4.883 6.702 -10.273 1.00 53.50 H new ATOM 910 N GLU A 57 -2.060 0.486 -8.740 1.00 72.12 N ATOM 911 CA GLU A 57 -3.113 -0.542 -8.493 1.00 12.42 C ATOM 912 C GLU A 57 -2.531 -1.811 -7.783 1.00 74.02 C ATOM 913 O GLU A 57 -3.233 -2.478 -7.017 1.00 64.34 O ATOM 914 CB GLU A 57 -3.890 -0.903 -9.790 1.00 32.31 C ATOM 915 CG GLU A 57 -5.138 -1.796 -9.548 1.00 22.53 C ATOM 916 CD GLU A 57 -6.173 -1.773 -10.690 1.00 50.45 C ATOM 917 OE1 GLU A 57 -5.886 -2.290 -11.787 1.00 70.01 O ATOM 918 OE2 GLU A 57 -7.292 -1.249 -10.491 1.00 63.55 O ATOM 0 H GLU A 57 -1.861 0.649 -9.727 1.00 72.12 H new ATOM 0 HA GLU A 57 -3.836 -0.099 -7.808 1.00 12.42 H new ATOM 0 HB2 GLU A 57 -4.204 0.018 -10.282 1.00 32.31 H new ATOM 0 HB3 GLU A 57 -3.215 -1.416 -10.475 1.00 32.31 H new ATOM 0 HG2 GLU A 57 -4.809 -2.824 -9.394 1.00 22.53 H new ATOM 0 HG3 GLU A 57 -5.625 -1.476 -8.627 1.00 22.53 H new ATOM 925 N PHE A 58 -1.221 -2.073 -7.992 1.00 13.31 N ATOM 926 CA PHE A 58 -0.465 -3.156 -7.305 1.00 40.41 C ATOM 927 C PHE A 58 -0.196 -2.784 -5.814 1.00 2.22 C ATOM 928 O PHE A 58 -0.281 -3.628 -4.916 1.00 65.24 O ATOM 929 CB PHE A 58 0.875 -3.401 -8.072 1.00 10.13 C ATOM 930 CG PHE A 58 1.739 -4.569 -7.573 1.00 30.53 C ATOM 931 CD1 PHE A 58 1.547 -5.863 -8.059 1.00 61.31 C ATOM 932 CD2 PHE A 58 2.757 -4.370 -6.633 1.00 1.14 C ATOM 933 CE1 PHE A 58 2.338 -6.913 -7.617 1.00 64.40 C ATOM 934 CE2 PHE A 58 3.543 -5.419 -6.200 1.00 74.12 C ATOM 935 CZ PHE A 58 3.331 -6.692 -6.690 1.00 41.42 C ATOM 0 H PHE A 58 -0.650 -1.537 -8.646 1.00 13.31 H new ATOM 0 HA PHE A 58 -1.056 -4.072 -7.309 1.00 40.41 H new ATOM 0 HB2 PHE A 58 0.642 -3.572 -9.123 1.00 10.13 H new ATOM 0 HB3 PHE A 58 1.470 -2.489 -8.022 1.00 10.13 H new ATOM 0 HD1 PHE A 58 0.773 -6.049 -8.789 1.00 61.31 H new ATOM 0 HD2 PHE A 58 2.930 -3.379 -6.240 1.00 1.14 H new ATOM 0 HE1 PHE A 58 2.174 -7.909 -8.002 1.00 64.40 H new ATOM 0 HE2 PHE A 58 4.325 -5.243 -5.476 1.00 74.12 H new ATOM 0 HZ PHE A 58 3.943 -7.513 -6.347 1.00 41.42 H new ATOM 945 N ILE A 59 0.097 -1.496 -5.586 1.00 54.43 N ATOM 946 CA ILE A 59 0.505 -0.936 -4.274 1.00 73.21 C ATOM 947 C ILE A 59 -0.691 -0.845 -3.288 1.00 52.24 C ATOM 948 O ILE A 59 -0.553 -1.181 -2.101 1.00 14.21 O ATOM 949 CB ILE A 59 1.242 0.462 -4.509 1.00 60.30 C ATOM 950 CG1 ILE A 59 2.799 0.277 -4.579 1.00 33.15 C ATOM 951 CG2 ILE A 59 0.874 1.547 -3.466 1.00 5.33 C ATOM 952 CD1 ILE A 59 3.316 -0.832 -5.476 1.00 50.44 C ATOM 0 H ILE A 59 0.058 -0.791 -6.322 1.00 54.43 H new ATOM 0 HA ILE A 59 1.213 -1.611 -3.793 1.00 73.21 H new ATOM 0 HB ILE A 59 0.879 0.825 -5.470 1.00 60.30 H new ATOM 0 HG12 ILE A 59 3.238 1.217 -4.913 1.00 33.15 H new ATOM 0 HG13 ILE A 59 3.165 0.095 -3.569 1.00 33.15 H new ATOM 0 HG21 ILE A 59 1.414 2.467 -3.692 1.00 5.33 H new ATOM 0 HG22 ILE A 59 -0.199 1.737 -3.502 1.00 5.33 H new ATOM 0 HG23 ILE A 59 1.148 1.201 -2.469 1.00 5.33 H new ATOM 0 HD11 ILE A 59 4.405 -0.855 -5.436 1.00 50.44 H new ATOM 0 HD12 ILE A 59 2.920 -1.789 -5.136 1.00 50.44 H new ATOM 0 HD13 ILE A 59 2.994 -0.650 -6.501 1.00 50.44 H new ATOM 964 N GLU A 60 -1.842 -0.349 -3.775 1.00 74.21 N ATOM 965 CA GLU A 60 -3.139 -0.482 -3.070 1.00 61.42 C ATOM 966 C GLU A 60 -3.437 -1.947 -2.631 1.00 13.42 C ATOM 967 O GLU A 60 -3.947 -2.186 -1.535 1.00 71.33 O ATOM 968 CB GLU A 60 -4.281 0.041 -3.974 1.00 23.21 C ATOM 969 CG GLU A 60 -5.616 0.248 -3.230 1.00 72.50 C ATOM 970 CD GLU A 60 -6.748 0.759 -4.129 1.00 42.44 C ATOM 971 OE1 GLU A 60 -6.625 1.874 -4.657 1.00 23.43 O ATOM 972 OE2 GLU A 60 -7.774 0.063 -4.290 1.00 40.11 O ATOM 0 H GLU A 60 -1.905 0.152 -4.661 1.00 74.21 H new ATOM 0 HA GLU A 60 -3.076 0.117 -2.161 1.00 61.42 H new ATOM 0 HB2 GLU A 60 -3.974 0.986 -4.421 1.00 23.21 H new ATOM 0 HB3 GLU A 60 -4.436 -0.663 -4.792 1.00 23.21 H new ATOM 0 HG2 GLU A 60 -5.920 -0.696 -2.778 1.00 72.50 H new ATOM 0 HG3 GLU A 60 -5.462 0.956 -2.416 1.00 72.50 H new ATOM 979 N GLY A 61 -3.023 -2.910 -3.475 1.00 73.55 N ATOM 980 CA GLY A 61 -3.230 -4.342 -3.200 1.00 34.22 C ATOM 981 C GLY A 61 -2.386 -4.840 -2.016 1.00 15.12 C ATOM 982 O GLY A 61 -2.756 -5.797 -1.322 1.00 34.12 O ATOM 0 H GLY A 61 -2.542 -2.721 -4.354 1.00 73.55 H new ATOM 0 HA2 GLY A 61 -4.285 -4.520 -2.991 1.00 34.22 H new ATOM 0 HA3 GLY A 61 -2.979 -4.920 -4.090 1.00 34.22 H new ATOM 986 N LEU A 62 -1.246 -4.156 -1.791 1.00 2.21 N ATOM 987 CA LEU A 62 -0.325 -4.431 -0.668 1.00 11.13 C ATOM 988 C LEU A 62 -0.912 -3.926 0.675 1.00 12.40 C ATOM 989 O LEU A 62 -0.860 -4.634 1.681 1.00 30.31 O ATOM 990 CB LEU A 62 1.053 -3.772 -0.941 1.00 43.35 C ATOM 991 CG LEU A 62 1.701 -4.094 -2.325 1.00 64.13 C ATOM 992 CD1 LEU A 62 3.076 -3.407 -2.476 1.00 3.03 C ATOM 993 CD2 LEU A 62 1.785 -5.619 -2.577 1.00 23.42 C ATOM 0 H LEU A 62 -0.935 -3.390 -2.389 1.00 2.21 H new ATOM 0 HA LEU A 62 -0.194 -5.510 -0.588 1.00 11.13 H new ATOM 0 HB2 LEU A 62 0.940 -2.691 -0.857 1.00 43.35 H new ATOM 0 HB3 LEU A 62 1.744 -4.082 -0.157 1.00 43.35 H new ATOM 0 HG LEU A 62 1.049 -3.683 -3.095 1.00 64.13 H new ATOM 0 HD11 LEU A 62 3.500 -3.651 -3.450 1.00 3.03 H new ATOM 0 HD12 LEU A 62 2.954 -2.327 -2.394 1.00 3.03 H new ATOM 0 HD13 LEU A 62 3.746 -3.757 -1.691 1.00 3.03 H new ATOM 0 HD21 LEU A 62 2.241 -5.802 -3.550 1.00 23.42 H new ATOM 0 HD22 LEU A 62 2.390 -6.084 -1.799 1.00 23.42 H new ATOM 0 HD23 LEU A 62 0.782 -6.046 -2.560 1.00 23.42 H new ATOM 1005 N GLY A 63 -1.402 -2.666 0.693 1.00 23.33 N ATOM 1006 CA GLY A 63 -2.188 -2.137 1.827 1.00 41.41 C ATOM 1007 C GLY A 63 -3.415 -2.968 2.255 1.00 1.34 C ATOM 1008 O GLY A 63 -3.777 -2.967 3.432 1.00 11.42 O ATOM 0 H GLY A 63 -1.266 -1.998 -0.066 1.00 23.33 H new ATOM 0 HA2 GLY A 63 -1.525 -2.039 2.686 1.00 41.41 H new ATOM 0 HA3 GLY A 63 -2.527 -1.134 1.570 1.00 41.41 H new ATOM 1012 N TYR A 64 -4.066 -3.658 1.294 1.00 43.54 N ATOM 1013 CA TYR A 64 -5.202 -4.586 1.586 1.00 33.44 C ATOM 1014 C TYR A 64 -4.724 -5.901 2.271 1.00 72.42 C ATOM 1015 O TYR A 64 -5.535 -6.638 2.851 1.00 34.32 O ATOM 1016 CB TYR A 64 -5.992 -4.924 0.283 1.00 2.22 C ATOM 1017 CG TYR A 64 -6.892 -3.796 -0.274 1.00 13.41 C ATOM 1018 CD1 TYR A 64 -6.563 -2.447 -0.120 1.00 0.03 C ATOM 1019 CD2 TYR A 64 -8.073 -4.092 -0.967 1.00 2.14 C ATOM 1020 CE1 TYR A 64 -7.363 -1.451 -0.628 1.00 64.42 C ATOM 1021 CE2 TYR A 64 -8.878 -3.090 -1.481 1.00 63.31 C ATOM 1022 CZ TYR A 64 -8.517 -1.772 -1.308 1.00 73.35 C ATOM 1023 OH TYR A 64 -9.308 -0.767 -1.821 1.00 41.31 O ATOM 0 H TYR A 64 -3.830 -3.596 0.304 1.00 43.54 H new ATOM 0 HA TYR A 64 -5.862 -4.067 2.281 1.00 33.44 H new ATOM 0 HB2 TYR A 64 -5.277 -5.206 -0.489 1.00 2.22 H new ATOM 0 HB3 TYR A 64 -6.615 -5.798 0.475 1.00 2.22 H new ATOM 0 HD1 TYR A 64 -5.660 -2.181 0.410 1.00 0.03 H new ATOM 0 HD2 TYR A 64 -8.362 -5.124 -1.103 1.00 2.14 H new ATOM 0 HE1 TYR A 64 -7.086 -0.416 -0.494 1.00 64.42 H new ATOM 0 HE2 TYR A 64 -9.783 -3.340 -2.014 1.00 63.31 H new ATOM 0 HH TYR A 64 -8.892 -0.404 -2.631 1.00 41.31 H new ATOM 1033 N SER A 65 -3.413 -6.198 2.171 1.00 53.24 N ATOM 1034 CA SER A 65 -2.799 -7.404 2.783 1.00 22.21 C ATOM 1035 C SER A 65 -2.638 -7.240 4.311 1.00 21.14 C ATOM 1036 O SER A 65 -2.081 -6.244 4.772 1.00 45.13 O ATOM 1037 CB SER A 65 -1.413 -7.677 2.161 1.00 21.23 C ATOM 1038 OG SER A 65 -1.485 -7.693 0.749 1.00 24.54 O ATOM 0 H SER A 65 -2.747 -5.613 1.666 1.00 53.24 H new ATOM 0 HA SER A 65 -3.466 -8.243 2.586 1.00 22.21 H new ATOM 0 HB2 SER A 65 -0.708 -6.911 2.484 1.00 21.23 H new ATOM 0 HB3 SER A 65 -1.031 -8.633 2.520 1.00 21.23 H new ATOM 0 HG SER A 65 -0.664 -8.084 0.384 1.00 24.54 H new ATOM 1044 N ASN A 66 -3.068 -8.266 5.075 1.00 21.23 N ATOM 1045 CA ASN A 66 -2.990 -8.279 6.563 1.00 73.42 C ATOM 1046 C ASN A 66 -1.531 -8.178 7.091 1.00 1.11 C ATOM 1047 O ASN A 66 -1.306 -7.849 8.264 1.00 60.25 O ATOM 1048 CB ASN A 66 -3.672 -9.552 7.126 1.00 55.54 C ATOM 1049 CG ASN A 66 -2.960 -10.867 6.751 1.00 54.14 C ATOM 1050 OD1 ASN A 66 -2.377 -11.004 5.676 1.00 72.41 O ATOM 1051 ND2 ASN A 66 -2.990 -11.839 7.647 1.00 2.53 N ATOM 0 H ASN A 66 -3.481 -9.113 4.683 1.00 21.23 H new ATOM 0 HA ASN A 66 -3.519 -7.393 6.914 1.00 73.42 H new ATOM 0 HB2 ASN A 66 -3.720 -9.475 8.212 1.00 55.54 H new ATOM 0 HB3 ASN A 66 -4.699 -9.591 6.763 1.00 55.54 H new ATOM 0 HD21 ASN A 66 -2.524 -12.725 7.454 1.00 2.53 H new ATOM 0 HD22 ASN A 66 -3.480 -11.702 8.531 1.00 2.53 H new ATOM 1058 N LEU A 67 -0.556 -8.489 6.212 1.00 40.10 N ATOM 1059 CA LEU A 67 0.881 -8.305 6.488 1.00 52.23 C ATOM 1060 C LEU A 67 1.218 -6.811 6.733 1.00 61.24 C ATOM 1061 O LEU A 67 1.978 -6.495 7.639 1.00 31.03 O ATOM 1062 CB LEU A 67 1.730 -8.899 5.332 1.00 3.43 C ATOM 1063 CG LEU A 67 3.295 -8.793 5.463 1.00 64.23 C ATOM 1064 CD1 LEU A 67 3.823 -9.365 6.803 1.00 1.45 C ATOM 1065 CD2 LEU A 67 3.994 -9.480 4.266 1.00 50.15 C ATOM 0 H LEU A 67 -0.746 -8.876 5.288 1.00 40.10 H new ATOM 0 HA LEU A 67 1.129 -8.844 7.402 1.00 52.23 H new ATOM 0 HB2 LEU A 67 1.470 -9.952 5.228 1.00 3.43 H new ATOM 0 HB3 LEU A 67 1.434 -8.405 4.407 1.00 3.43 H new ATOM 0 HG LEU A 67 3.538 -7.731 5.454 1.00 64.23 H new ATOM 0 HD11 LEU A 67 4.908 -9.266 6.839 1.00 1.45 H new ATOM 0 HD12 LEU A 67 3.381 -8.814 7.633 1.00 1.45 H new ATOM 0 HD13 LEU A 67 3.552 -10.418 6.881 1.00 1.45 H new ATOM 0 HD21 LEU A 67 5.075 -9.394 4.378 1.00 50.15 H new ATOM 0 HD22 LEU A 67 3.715 -10.533 4.237 1.00 50.15 H new ATOM 0 HD23 LEU A 67 3.686 -8.997 3.339 1.00 50.15 H new ATOM 1077 N TYR A 68 0.626 -5.895 5.939 1.00 64.33 N ATOM 1078 CA TYR A 68 0.749 -4.434 6.193 1.00 51.44 C ATOM 1079 C TYR A 68 0.070 -4.035 7.530 1.00 23.33 C ATOM 1080 O TYR A 68 0.564 -3.180 8.261 1.00 43.40 O ATOM 1081 CB TYR A 68 0.150 -3.609 5.020 1.00 0.22 C ATOM 1082 CG TYR A 68 0.318 -2.085 5.200 1.00 13.04 C ATOM 1083 CD1 TYR A 68 1.571 -1.487 5.052 1.00 71.33 C ATOM 1084 CD2 TYR A 68 -0.759 -1.259 5.552 1.00 53.25 C ATOM 1085 CE1 TYR A 68 1.743 -0.132 5.244 1.00 43.20 C ATOM 1086 CE2 TYR A 68 -0.584 0.100 5.741 1.00 55.31 C ATOM 1087 CZ TYR A 68 0.671 0.655 5.586 1.00 64.52 C ATOM 1088 OH TYR A 68 0.856 2.009 5.770 1.00 14.02 O ATOM 0 H TYR A 68 0.062 -6.132 5.123 1.00 64.33 H new ATOM 0 HA TYR A 68 1.812 -4.206 6.268 1.00 51.44 H new ATOM 0 HB2 TYR A 68 0.628 -3.913 4.089 1.00 0.22 H new ATOM 0 HB3 TYR A 68 -0.910 -3.842 4.925 1.00 0.22 H new ATOM 0 HD1 TYR A 68 2.421 -2.096 4.782 1.00 71.33 H new ATOM 0 HD2 TYR A 68 -1.741 -1.691 5.678 1.00 53.25 H new ATOM 0 HE1 TYR A 68 2.721 0.310 5.125 1.00 43.20 H new ATOM 0 HE2 TYR A 68 -1.424 0.724 6.008 1.00 55.31 H new ATOM 0 HH TYR A 68 0.918 2.203 6.729 1.00 14.02 H new ATOM 1098 N LEU A 69 -1.062 -4.687 7.828 1.00 34.44 N ATOM 1099 CA LEU A 69 -1.895 -4.396 9.022 1.00 51.13 C ATOM 1100 C LEU A 69 -1.225 -4.847 10.343 1.00 63.04 C ATOM 1101 O LEU A 69 -1.451 -4.244 11.399 1.00 71.03 O ATOM 1102 CB LEU A 69 -3.310 -5.037 8.858 1.00 1.41 C ATOM 1103 CG LEU A 69 -4.317 -4.271 7.931 1.00 1.25 C ATOM 1104 CD1 LEU A 69 -4.616 -2.880 8.490 1.00 4.43 C ATOM 1105 CD2 LEU A 69 -3.830 -4.163 6.475 1.00 32.04 C ATOM 0 H LEU A 69 -1.436 -5.438 7.248 1.00 34.44 H new ATOM 0 HA LEU A 69 -2.001 -3.313 9.090 1.00 51.13 H new ATOM 0 HB2 LEU A 69 -3.185 -6.047 8.467 1.00 1.41 H new ATOM 0 HB3 LEU A 69 -3.759 -5.132 9.847 1.00 1.41 H new ATOM 0 HG LEU A 69 -5.233 -4.862 7.918 1.00 1.25 H new ATOM 0 HD11 LEU A 69 -5.316 -2.366 7.832 1.00 4.43 H new ATOM 0 HD12 LEU A 69 -5.054 -2.974 9.484 1.00 4.43 H new ATOM 0 HD13 LEU A 69 -3.691 -2.307 8.554 1.00 4.43 H new ATOM 0 HD21 LEU A 69 -4.569 -3.623 5.883 1.00 32.04 H new ATOM 0 HD22 LEU A 69 -2.881 -3.627 6.447 1.00 32.04 H new ATOM 0 HD23 LEU A 69 -3.694 -5.162 6.062 1.00 32.04 H new ATOM 1117 N LYS A 70 -0.403 -5.909 10.288 1.00 42.12 N ATOM 1118 CA LYS A 70 0.336 -6.379 11.482 1.00 13.41 C ATOM 1119 C LYS A 70 1.560 -5.470 11.758 1.00 3.50 C ATOM 1120 O LYS A 70 2.026 -5.371 12.900 1.00 61.43 O ATOM 1121 CB LYS A 70 0.727 -7.875 11.365 1.00 43.32 C ATOM 1122 CG LYS A 70 1.780 -8.221 10.293 1.00 60.21 C ATOM 1123 CD LYS A 70 2.028 -9.745 10.162 1.00 61.55 C ATOM 1124 CE LYS A 70 0.775 -10.511 9.679 1.00 33.11 C ATOM 1125 NZ LYS A 70 1.023 -11.966 9.549 1.00 14.42 N ATOM 0 H LYS A 70 -0.232 -6.455 9.443 1.00 42.12 H new ATOM 0 HA LYS A 70 -0.328 -6.305 12.343 1.00 13.41 H new ATOM 0 HB2 LYS A 70 1.101 -8.208 12.333 1.00 43.32 H new ATOM 0 HB3 LYS A 70 -0.175 -8.450 11.157 1.00 43.32 H new ATOM 0 HG2 LYS A 70 1.454 -7.827 9.330 1.00 60.21 H new ATOM 0 HG3 LYS A 70 2.719 -7.725 10.539 1.00 60.21 H new ATOM 0 HD2 LYS A 70 2.847 -9.918 9.463 1.00 61.55 H new ATOM 0 HD3 LYS A 70 2.343 -10.143 11.127 1.00 61.55 H new ATOM 0 HE2 LYS A 70 -0.043 -10.345 10.380 1.00 33.11 H new ATOM 0 HE3 LYS A 70 0.456 -10.111 8.717 1.00 33.11 H new ATOM 0 HZ1 LYS A 70 0.156 -12.438 9.223 1.00 14.42 H new ATOM 0 HZ2 LYS A 70 1.785 -12.128 8.860 1.00 14.42 H new ATOM 0 HZ3 LYS A 70 1.302 -12.354 10.472 1.00 14.42 H new ATOM 1139 N GLU A 71 2.062 -4.806 10.696 1.00 74.51 N ATOM 1140 CA GLU A 71 3.117 -3.776 10.827 1.00 23.00 C ATOM 1141 C GLU A 71 2.544 -2.435 11.392 1.00 20.42 C ATOM 1142 O GLU A 71 3.019 -1.942 12.418 1.00 65.20 O ATOM 1143 CB GLU A 71 3.808 -3.504 9.456 1.00 31.05 C ATOM 1144 CG GLU A 71 4.351 -4.739 8.703 1.00 62.31 C ATOM 1145 CD GLU A 71 5.305 -5.622 9.526 1.00 51.44 C ATOM 1146 OE1 GLU A 71 6.465 -5.213 9.746 1.00 41.34 O ATOM 1147 OE2 GLU A 71 4.913 -6.738 9.934 1.00 71.51 O ATOM 0 H GLU A 71 1.754 -4.964 9.737 1.00 74.51 H new ATOM 0 HA GLU A 71 3.854 -4.165 11.530 1.00 23.00 H new ATOM 0 HB2 GLU A 71 3.094 -2.996 8.808 1.00 31.05 H new ATOM 0 HB3 GLU A 71 4.635 -2.814 9.621 1.00 31.05 H new ATOM 0 HG2 GLU A 71 3.508 -5.347 8.373 1.00 62.31 H new ATOM 0 HG3 GLU A 71 4.871 -4.402 7.807 1.00 62.31 H new ATOM 1154 N PHE A 72 1.513 -1.858 10.715 1.00 14.21 N ATOM 1155 CA PHE A 72 0.980 -0.492 11.037 1.00 3.22 C ATOM 1156 C PHE A 72 -0.568 -0.471 11.194 1.00 10.24 C ATOM 1157 O PHE A 72 -1.276 0.080 10.339 1.00 4.02 O ATOM 1158 CB PHE A 72 1.413 0.528 9.932 1.00 11.21 C ATOM 1159 CG PHE A 72 2.900 0.496 9.595 1.00 12.03 C ATOM 1160 CD1 PHE A 72 3.840 0.998 10.485 1.00 25.12 C ATOM 1161 CD2 PHE A 72 3.356 -0.067 8.400 1.00 21.41 C ATOM 1162 CE1 PHE A 72 5.183 0.945 10.194 1.00 13.11 C ATOM 1163 CE2 PHE A 72 4.700 -0.115 8.112 1.00 54.33 C ATOM 1164 CZ PHE A 72 5.609 0.387 9.014 1.00 2.54 C ATOM 0 H PHE A 72 1.030 -2.314 9.941 1.00 14.21 H new ATOM 0 HA PHE A 72 1.406 -0.205 11.998 1.00 3.22 H new ATOM 0 HB2 PHE A 72 0.843 0.327 9.025 1.00 11.21 H new ATOM 0 HB3 PHE A 72 1.148 1.534 10.259 1.00 11.21 H new ATOM 0 HD1 PHE A 72 3.513 1.435 11.417 1.00 25.12 H new ATOM 0 HD2 PHE A 72 2.644 -0.469 7.694 1.00 21.41 H new ATOM 0 HE1 PHE A 72 5.903 1.342 10.894 1.00 13.11 H new ATOM 0 HE2 PHE A 72 5.040 -0.545 7.182 1.00 54.33 H new ATOM 0 HZ PHE A 72 6.665 0.342 8.793 1.00 2.54 H new ATOM 1174 N TYR A 73 -1.075 -1.080 12.288 1.00 14.25 N ATOM 1175 CA TYR A 73 -2.522 -1.041 12.657 1.00 22.33 C ATOM 1176 C TYR A 73 -2.754 -1.745 14.002 1.00 72.10 C ATOM 1177 O TYR A 73 -3.204 -1.136 14.969 1.00 54.42 O ATOM 1178 CB TYR A 73 -3.409 -1.702 11.564 1.00 74.15 C ATOM 1179 CG TYR A 73 -4.934 -1.530 11.736 1.00 75.22 C ATOM 1180 CD1 TYR A 73 -5.594 -0.428 11.193 1.00 5.31 C ATOM 1181 CD2 TYR A 73 -5.710 -2.477 12.416 1.00 70.32 C ATOM 1182 CE1 TYR A 73 -6.961 -0.274 11.319 1.00 23.44 C ATOM 1183 CE2 TYR A 73 -7.079 -2.325 12.548 1.00 51.03 C ATOM 1184 CZ TYR A 73 -7.701 -1.222 11.995 1.00 2.40 C ATOM 1185 OH TYR A 73 -9.069 -1.067 12.113 1.00 24.14 O ATOM 0 H TYR A 73 -0.502 -1.612 12.943 1.00 14.25 H new ATOM 0 HA TYR A 73 -2.807 0.008 12.742 1.00 22.33 H new ATOM 0 HB2 TYR A 73 -3.124 -1.292 10.595 1.00 74.15 H new ATOM 0 HB3 TYR A 73 -3.184 -2.768 11.537 1.00 74.15 H new ATOM 0 HD1 TYR A 73 -5.024 0.321 10.663 1.00 5.31 H new ATOM 0 HD2 TYR A 73 -5.230 -3.344 12.846 1.00 70.32 H new ATOM 0 HE1 TYR A 73 -7.450 0.588 10.889 1.00 23.44 H new ATOM 0 HE2 TYR A 73 -7.658 -3.065 13.081 1.00 51.03 H new ATOM 0 HH TYR A 73 -9.441 -1.821 12.616 1.00 24.14 H new ATOM 1195 N THR A 74 -2.439 -3.053 14.032 1.00 21.42 N ATOM 1196 CA THR A 74 -2.648 -3.922 15.213 1.00 51.30 C ATOM 1197 C THR A 74 -1.770 -3.530 16.458 1.00 61.21 C ATOM 1198 O THR A 74 -2.280 -3.612 17.585 1.00 23.30 O ATOM 1199 CB THR A 74 -2.440 -5.438 14.850 1.00 13.42 C ATOM 1200 OG1 THR A 74 -1.128 -5.650 14.317 1.00 54.01 O ATOM 1201 CG2 THR A 74 -3.480 -5.941 13.826 1.00 0.12 C ATOM 0 H THR A 74 -2.030 -3.542 13.236 1.00 21.42 H new ATOM 0 HA THR A 74 -3.685 -3.762 15.508 1.00 51.30 H new ATOM 0 HB THR A 74 -2.567 -6.001 15.775 1.00 13.42 H new ATOM 0 HG1 THR A 74 -0.508 -5.857 15.047 1.00 54.01 H new ATOM 0 HG21 THR A 74 -3.296 -6.993 13.607 1.00 0.12 H new ATOM 0 HG22 THR A 74 -4.482 -5.827 14.239 1.00 0.12 H new ATOM 0 HG23 THR A 74 -3.398 -5.359 12.908 1.00 0.12 H new ATOM 1209 N PRO A 75 -0.450 -3.097 16.318 1.00 4.12 N ATOM 1210 CA PRO A 75 0.348 -2.617 17.476 1.00 33.15 C ATOM 1211 C PRO A 75 0.316 -1.067 17.660 1.00 5.32 C ATOM 1212 O PRO A 75 1.162 -0.505 18.361 1.00 15.04 O ATOM 1213 CB PRO A 75 1.758 -3.124 17.095 1.00 64.31 C ATOM 1214 CG PRO A 75 1.822 -2.979 15.600 1.00 32.32 C ATOM 1215 CD PRO A 75 0.395 -3.081 15.084 1.00 72.25 C ATOM 0 HA PRO A 75 -0.026 -2.978 18.434 1.00 33.15 H new ATOM 0 HB2 PRO A 75 2.536 -2.537 17.584 1.00 64.31 H new ATOM 0 HB3 PRO A 75 1.902 -4.161 17.399 1.00 64.31 H new ATOM 0 HG2 PRO A 75 2.265 -2.022 15.324 1.00 32.32 H new ATOM 0 HG3 PRO A 75 2.447 -3.758 15.163 1.00 32.32 H new ATOM 0 HD2 PRO A 75 0.144 -2.237 14.442 1.00 72.25 H new ATOM 0 HD3 PRO A 75 0.251 -3.985 14.492 1.00 72.25 H new ATOM 1223 N TYR A 76 -0.669 -0.387 17.028 1.00 51.53 N ATOM 1224 CA TYR A 76 -0.801 1.102 17.052 1.00 51.11 C ATOM 1225 C TYR A 76 -2.282 1.537 17.252 1.00 2.43 C ATOM 1226 O TYR A 76 -3.199 0.785 16.904 1.00 52.23 O ATOM 1227 CB TYR A 76 -0.248 1.711 15.724 1.00 5.25 C ATOM 1228 CG TYR A 76 1.271 1.552 15.540 1.00 23.51 C ATOM 1229 CD1 TYR A 76 2.170 2.317 16.294 1.00 42.45 C ATOM 1230 CD2 TYR A 76 1.808 0.631 14.638 1.00 71.44 C ATOM 1231 CE1 TYR A 76 3.537 2.171 16.146 1.00 34.20 C ATOM 1232 CE2 TYR A 76 3.175 0.482 14.493 1.00 43.12 C ATOM 1233 CZ TYR A 76 4.035 1.253 15.246 1.00 41.02 C ATOM 1234 OH TYR A 76 5.399 1.105 15.100 1.00 33.53 O ATOM 0 H TYR A 76 -1.399 -0.849 16.485 1.00 51.53 H new ATOM 0 HA TYR A 76 -0.219 1.475 17.895 1.00 51.11 H new ATOM 0 HB2 TYR A 76 -0.756 1.239 14.883 1.00 5.25 H new ATOM 0 HB3 TYR A 76 -0.497 2.772 15.693 1.00 5.25 H new ATOM 0 HD1 TYR A 76 1.788 3.035 17.005 1.00 42.45 H new ATOM 0 HD2 TYR A 76 1.143 0.023 14.042 1.00 71.44 H new ATOM 0 HE1 TYR A 76 4.213 2.774 16.734 1.00 34.20 H new ATOM 0 HE2 TYR A 76 3.569 -0.238 13.791 1.00 43.12 H new ATOM 0 HH TYR A 76 5.583 0.417 14.427 1.00 33.53 H new ATOM 1244 N PRO A 77 -2.546 2.759 17.838 1.00 40.03 N ATOM 1245 CA PRO A 77 -3.915 3.351 17.861 1.00 34.02 C ATOM 1246 C PRO A 77 -4.356 3.827 16.446 1.00 24.45 C ATOM 1247 O PRO A 77 -3.506 4.105 15.594 1.00 21.13 O ATOM 1248 CB PRO A 77 -3.771 4.534 18.858 1.00 62.11 C ATOM 1249 CG PRO A 77 -2.328 4.927 18.765 1.00 64.45 C ATOM 1250 CD PRO A 77 -1.562 3.633 18.547 1.00 3.11 C ATOM 0 HA PRO A 77 -4.686 2.641 18.161 1.00 34.02 H new ATOM 0 HB2 PRO A 77 -4.426 5.362 18.589 1.00 62.11 H new ATOM 0 HB3 PRO A 77 -4.036 4.234 19.872 1.00 62.11 H new ATOM 0 HG2 PRO A 77 -2.164 5.622 17.942 1.00 64.45 H new ATOM 0 HG3 PRO A 77 -1.999 5.428 19.676 1.00 64.45 H new ATOM 0 HD2 PRO A 77 -0.665 3.794 17.949 1.00 3.11 H new ATOM 0 HD3 PRO A 77 -1.242 3.193 19.491 1.00 3.11 H new ATOM 1258 N ASN A 78 -5.684 3.859 16.202 1.00 11.33 N ATOM 1259 CA ASN A 78 -6.291 4.287 14.907 1.00 22.33 C ATOM 1260 C ASN A 78 -5.700 5.619 14.325 1.00 43.05 C ATOM 1261 O ASN A 78 -5.279 5.649 13.174 1.00 14.44 O ATOM 1262 CB ASN A 78 -7.829 4.402 15.081 1.00 11.23 C ATOM 1263 CG ASN A 78 -8.575 4.336 13.752 1.00 23.11 C ATOM 1264 OD1 ASN A 78 -8.734 5.460 13.098 1.00 72.35 O flip ATOM 1265 ND2 ASN A 78 -8.989 3.272 13.309 1.00 32.01 N flip ATOM 0 H ASN A 78 -6.377 3.588 16.899 1.00 11.33 H new ATOM 0 HA ASN A 78 -6.041 3.520 14.174 1.00 22.33 H new ATOM 0 HB2 ASN A 78 -8.179 3.599 15.730 1.00 11.23 H new ATOM 0 HB3 ASN A 78 -8.065 5.342 15.580 1.00 11.23 H new ATOM 0 HD21 ASN A 78 -8.852 2.411 13.839 1.00 32.01 H new ATOM 0 HD22 ASN A 78 -9.471 3.247 12.410 1.00 32.01 H new ATOM 1272 N THR A 79 -5.709 6.706 15.130 1.00 35.33 N ATOM 1273 CA THR A 79 -5.069 8.022 14.772 1.00 63.43 C ATOM 1274 C THR A 79 -3.596 7.893 14.254 1.00 35.50 C ATOM 1275 O THR A 79 -3.178 8.631 13.346 1.00 54.41 O ATOM 1276 CB THR A 79 -5.106 9.003 15.998 1.00 31.21 C ATOM 1277 OG1 THR A 79 -6.463 9.153 16.450 1.00 75.35 O ATOM 1278 CG2 THR A 79 -4.536 10.404 15.669 1.00 13.03 C ATOM 0 H THR A 79 -6.155 6.710 16.047 1.00 35.33 H new ATOM 0 HA THR A 79 -5.659 8.420 13.947 1.00 63.43 H new ATOM 0 HB THR A 79 -4.477 8.564 16.772 1.00 31.21 H new ATOM 0 HG1 THR A 79 -6.487 9.764 17.216 1.00 75.35 H new ATOM 0 HG21 THR A 79 -4.589 11.036 16.556 1.00 13.03 H new ATOM 0 HG22 THR A 79 -3.497 10.309 15.353 1.00 13.03 H new ATOM 0 HG23 THR A 79 -5.120 10.855 14.867 1.00 13.03 H new ATOM 1286 N LYS A 80 -2.857 6.898 14.777 1.00 63.41 N ATOM 1287 CA LYS A 80 -1.446 6.648 14.383 1.00 1.12 C ATOM 1288 C LYS A 80 -1.363 5.985 12.973 1.00 2.52 C ATOM 1289 O LYS A 80 -0.379 6.153 12.250 1.00 73.43 O ATOM 1290 CB LYS A 80 -0.735 5.754 15.436 1.00 53.00 C ATOM 1291 CG LYS A 80 0.799 5.626 15.251 1.00 45.13 C ATOM 1292 CD LYS A 80 1.549 6.944 15.564 1.00 65.44 C ATOM 1293 CE LYS A 80 3.069 6.848 15.342 1.00 4.13 C ATOM 1294 NZ LYS A 80 3.746 8.144 15.620 1.00 63.34 N ATOM 0 H LYS A 80 -3.210 6.247 15.478 1.00 63.41 H new ATOM 0 HA LYS A 80 -0.938 7.611 14.338 1.00 1.12 H new ATOM 0 HB2 LYS A 80 -0.935 6.157 16.429 1.00 53.00 H new ATOM 0 HB3 LYS A 80 -1.175 4.757 15.403 1.00 53.00 H new ATOM 0 HG2 LYS A 80 1.175 4.835 15.901 1.00 45.13 H new ATOM 0 HG3 LYS A 80 1.014 5.325 14.226 1.00 45.13 H new ATOM 0 HD2 LYS A 80 1.147 7.740 14.937 1.00 65.44 H new ATOM 0 HD3 LYS A 80 1.357 7.226 16.599 1.00 65.44 H new ATOM 0 HE2 LYS A 80 3.484 6.074 15.988 1.00 4.13 H new ATOM 0 HE3 LYS A 80 3.269 6.546 14.314 1.00 4.13 H new ATOM 0 HZ1 LYS A 80 4.758 8.062 15.395 1.00 63.34 H new ATOM 0 HZ2 LYS A 80 3.321 8.891 15.034 1.00 63.34 H new ATOM 0 HZ3 LYS A 80 3.633 8.386 16.625 1.00 63.34 H new ATOM 1308 N VAL A 81 -2.422 5.242 12.601 1.00 63.13 N ATOM 1309 CA VAL A 81 -2.517 4.532 11.296 1.00 43.03 C ATOM 1310 C VAL A 81 -2.651 5.528 10.105 1.00 52.21 C ATOM 1311 O VAL A 81 -2.178 5.251 9.001 1.00 71.52 O ATOM 1312 CB VAL A 81 -3.724 3.511 11.300 1.00 64.34 C ATOM 1313 CG1 VAL A 81 -3.837 2.715 9.966 1.00 52.30 C ATOM 1314 CG2 VAL A 81 -3.619 2.555 12.513 1.00 14.43 C ATOM 0 H VAL A 81 -3.242 5.112 13.193 1.00 63.13 H new ATOM 0 HA VAL A 81 -1.589 3.977 11.160 1.00 43.03 H new ATOM 0 HB VAL A 81 -4.640 4.094 11.391 1.00 64.34 H new ATOM 0 HG11 VAL A 81 -4.682 2.028 10.022 1.00 52.30 H new ATOM 0 HG12 VAL A 81 -3.988 3.409 9.140 1.00 52.30 H new ATOM 0 HG13 VAL A 81 -2.920 2.149 9.801 1.00 52.30 H new ATOM 0 HG21 VAL A 81 -4.457 1.859 12.501 1.00 14.43 H new ATOM 0 HG22 VAL A 81 -2.684 1.998 12.457 1.00 14.43 H new ATOM 0 HG23 VAL A 81 -3.642 3.134 13.436 1.00 14.43 H new ATOM 1324 N ILE A 82 -3.284 6.696 10.349 1.00 41.22 N ATOM 1325 CA ILE A 82 -3.418 7.776 9.329 1.00 62.14 C ATOM 1326 C ILE A 82 -2.030 8.405 9.000 1.00 41.52 C ATOM 1327 O ILE A 82 -1.681 8.591 7.830 1.00 53.13 O ATOM 1328 CB ILE A 82 -4.454 8.906 9.767 1.00 42.10 C ATOM 1329 CG1 ILE A 82 -5.944 8.390 9.760 1.00 63.21 C ATOM 1330 CG2 ILE A 82 -4.343 10.170 8.866 1.00 34.11 C ATOM 1331 CD1 ILE A 82 -6.300 7.321 10.775 1.00 65.13 C ATOM 0 H ILE A 82 -3.714 6.922 11.246 1.00 41.22 H new ATOM 0 HA ILE A 82 -3.816 7.308 8.428 1.00 62.14 H new ATOM 0 HB ILE A 82 -4.187 9.173 10.790 1.00 42.10 H new ATOM 0 HG12 ILE A 82 -6.601 9.245 9.922 1.00 63.21 H new ATOM 0 HG13 ILE A 82 -6.165 8.002 8.766 1.00 63.21 H new ATOM 0 HG21 ILE A 82 -5.065 10.917 9.196 1.00 34.11 H new ATOM 0 HG22 ILE A 82 -3.336 10.581 8.939 1.00 34.11 H new ATOM 0 HG23 ILE A 82 -4.550 9.898 7.831 1.00 34.11 H new ATOM 0 HD11 ILE A 82 -7.351 7.053 10.667 1.00 65.13 H new ATOM 0 HD12 ILE A 82 -5.681 6.439 10.607 1.00 65.13 H new ATOM 0 HD13 ILE A 82 -6.124 7.702 11.781 1.00 65.13 H new ATOM 1343 N GLU A 83 -1.235 8.663 10.050 1.00 54.14 N ATOM 1344 CA GLU A 83 0.069 9.370 9.912 1.00 53.24 C ATOM 1345 C GLU A 83 1.205 8.407 9.454 1.00 2.33 C ATOM 1346 O GLU A 83 2.190 8.852 8.859 1.00 42.11 O ATOM 1347 CB GLU A 83 0.451 10.100 11.224 1.00 21.53 C ATOM 1348 CG GLU A 83 0.676 9.184 12.432 1.00 0.54 C ATOM 1349 CD GLU A 83 1.117 9.948 13.688 1.00 4.34 C ATOM 1350 OE1 GLU A 83 2.339 10.173 13.857 1.00 52.41 O ATOM 1351 OE2 GLU A 83 0.253 10.311 14.514 1.00 13.20 O ATOM 0 H GLU A 83 -1.463 8.397 11.008 1.00 54.14 H new ATOM 0 HA GLU A 83 -0.052 10.121 9.132 1.00 53.24 H new ATOM 0 HB2 GLU A 83 1.359 10.677 11.050 1.00 21.53 H new ATOM 0 HB3 GLU A 83 -0.337 10.812 11.469 1.00 21.53 H new ATOM 0 HG2 GLU A 83 -0.245 8.642 12.647 1.00 0.54 H new ATOM 0 HG3 GLU A 83 1.432 8.440 12.181 1.00 0.54 H new ATOM 1358 N LEU A 84 1.067 7.096 9.756 1.00 54.11 N ATOM 1359 CA LEU A 84 1.985 6.034 9.259 1.00 14.01 C ATOM 1360 C LEU A 84 1.568 5.524 7.851 1.00 32.41 C ATOM 1361 O LEU A 84 2.420 5.140 7.042 1.00 1.52 O ATOM 1362 CB LEU A 84 2.046 4.856 10.284 1.00 0.21 C ATOM 1363 CG LEU A 84 2.797 5.152 11.623 1.00 32.50 C ATOM 1364 CD1 LEU A 84 2.784 3.918 12.552 1.00 11.43 C ATOM 1365 CD2 LEU A 84 4.240 5.650 11.368 1.00 1.23 C ATOM 0 H LEU A 84 0.318 6.740 10.350 1.00 54.11 H new ATOM 0 HA LEU A 84 2.980 6.468 9.160 1.00 14.01 H new ATOM 0 HB2 LEU A 84 1.026 4.554 10.522 1.00 0.21 H new ATOM 0 HB3 LEU A 84 2.526 4.005 9.801 1.00 0.21 H new ATOM 0 HG LEU A 84 2.262 5.956 12.129 1.00 32.50 H new ATOM 0 HD11 LEU A 84 3.313 4.152 13.476 1.00 11.43 H new ATOM 0 HD12 LEU A 84 1.754 3.647 12.783 1.00 11.43 H new ATOM 0 HD13 LEU A 84 3.276 3.082 12.054 1.00 11.43 H new ATOM 0 HD21 LEU A 84 4.731 5.846 12.321 1.00 1.23 H new ATOM 0 HD22 LEU A 84 4.797 4.888 10.822 1.00 1.23 H new ATOM 0 HD23 LEU A 84 4.210 6.568 10.780 1.00 1.23 H new ATOM 1377 N GLY A 85 0.252 5.551 7.575 1.00 33.30 N ATOM 1378 CA GLY A 85 -0.301 5.118 6.277 1.00 0.23 C ATOM 1379 C GLY A 85 0.070 6.069 5.138 1.00 63.51 C ATOM 1380 O GLY A 85 0.664 5.662 4.136 1.00 64.11 O ATOM 0 H GLY A 85 -0.454 5.871 8.238 1.00 33.30 H new ATOM 0 HA2 GLY A 85 0.065 4.118 6.045 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.386 5.051 6.352 1.00 0.23 H new ATOM 1384 N THR A 86 -0.257 7.360 5.333 1.00 54.32 N ATOM 1385 CA THR A 86 0.109 8.467 4.408 1.00 50.33 C ATOM 1386 C THR A 86 1.653 8.555 4.206 1.00 22.22 C ATOM 1387 O THR A 86 2.131 8.926 3.139 1.00 34.42 O ATOM 1388 CB THR A 86 -0.440 9.824 4.970 1.00 43.30 C ATOM 1389 OG1 THR A 86 -1.856 9.711 5.198 1.00 10.55 O ATOM 1390 CG2 THR A 86 -0.194 11.025 4.039 1.00 30.31 C ATOM 0 H THR A 86 -0.789 7.675 6.144 1.00 54.32 H new ATOM 0 HA THR A 86 -0.341 8.264 3.436 1.00 50.33 H new ATOM 0 HB THR A 86 0.105 10.012 5.895 1.00 43.30 H new ATOM 0 HG1 THR A 86 -2.015 9.344 6.092 1.00 10.55 H new ATOM 0 HG21 THR A 86 -0.601 11.928 4.494 1.00 30.31 H new ATOM 0 HG22 THR A 86 0.877 11.150 3.881 1.00 30.31 H new ATOM 0 HG23 THR A 86 -0.684 10.849 3.081 1.00 30.31 H new ATOM 1398 N LYS A 87 2.399 8.165 5.252 1.00 14.24 N ATOM 1399 CA LYS A 87 3.881 8.127 5.241 1.00 14.44 C ATOM 1400 C LYS A 87 4.425 7.004 4.306 1.00 52.12 C ATOM 1401 O LYS A 87 5.450 7.177 3.641 1.00 41.33 O ATOM 1402 CB LYS A 87 4.402 7.919 6.689 1.00 72.44 C ATOM 1403 CG LYS A 87 5.938 7.985 6.848 1.00 64.11 C ATOM 1404 CD LYS A 87 6.398 7.735 8.304 1.00 13.14 C ATOM 1405 CE LYS A 87 7.923 7.876 8.470 1.00 1.23 C ATOM 1406 NZ LYS A 87 8.363 7.552 9.847 1.00 2.32 N ATOM 0 H LYS A 87 1.993 7.864 6.138 1.00 14.24 H new ATOM 0 HA LYS A 87 4.243 9.078 4.850 1.00 14.44 H new ATOM 0 HB2 LYS A 87 3.953 8.675 7.333 1.00 72.44 H new ATOM 0 HB3 LYS A 87 4.056 6.949 7.047 1.00 72.44 H new ATOM 0 HG2 LYS A 87 6.399 7.245 6.193 1.00 64.11 H new ATOM 0 HG3 LYS A 87 6.291 8.963 6.522 1.00 64.11 H new ATOM 0 HD2 LYS A 87 5.896 8.440 8.967 1.00 13.14 H new ATOM 0 HD3 LYS A 87 6.093 6.735 8.612 1.00 13.14 H new ATOM 0 HE2 LYS A 87 8.427 7.217 7.764 1.00 1.23 H new ATOM 0 HE3 LYS A 87 8.222 8.895 8.224 1.00 1.23 H new ATOM 0 HZ1 LYS A 87 9.395 7.659 9.916 1.00 2.32 H new ATOM 0 HZ2 LYS A 87 7.902 8.198 10.520 1.00 2.32 H new ATOM 0 HZ3 LYS A 87 8.101 6.571 10.073 1.00 2.32 H new ATOM 1420 N HIS A 88 3.745 5.837 4.294 1.00 53.50 N ATOM 1421 CA HIS A 88 4.154 4.661 3.475 1.00 44.25 C ATOM 1422 C HIS A 88 3.455 4.577 2.090 1.00 53.34 C ATOM 1423 O HIS A 88 3.732 3.656 1.321 1.00 32.52 O ATOM 1424 CB HIS A 88 3.964 3.358 4.292 1.00 35.14 C ATOM 1425 CG HIS A 88 4.988 3.221 5.388 1.00 73.42 C ATOM 1426 ND1 HIS A 88 6.330 3.088 5.117 1.00 23.32 N ATOM 1427 CD2 HIS A 88 4.885 3.247 6.739 1.00 13.40 C ATOM 1428 CE1 HIS A 88 7.005 3.044 6.239 1.00 11.40 C ATOM 1429 NE2 HIS A 88 6.159 3.140 7.242 1.00 51.32 N ATOM 0 H HIS A 88 2.902 5.678 4.846 1.00 53.50 H new ATOM 0 HA HIS A 88 5.211 4.793 3.244 1.00 44.25 H new ATOM 0 HB2 HIS A 88 2.965 3.346 4.727 1.00 35.14 H new ATOM 0 HB3 HIS A 88 4.031 2.499 3.624 1.00 35.14 H new ATOM 0 HD1 HIS A 88 6.738 3.032 4.184 1.00 23.32 H new ATOM 0 HD2 HIS A 88 3.974 3.335 7.312 1.00 13.40 H new ATOM 0 HE1 HIS A 88 8.077 2.945 6.326 1.00 11.40 H new ATOM 0 HE2 HIS A 88 6.408 3.136 8.231 1.00 51.32 H new ATOM 1438 N PHE A 89 2.552 5.523 1.779 1.00 41.22 N ATOM 1439 CA PHE A 89 1.856 5.567 0.458 1.00 21.44 C ATOM 1440 C PHE A 89 2.071 6.918 -0.255 1.00 53.34 C ATOM 1441 O PHE A 89 2.586 6.951 -1.373 1.00 54.02 O ATOM 1442 CB PHE A 89 0.341 5.235 0.618 1.00 2.23 C ATOM 1443 CG PHE A 89 0.086 3.750 0.899 1.00 72.00 C ATOM 1444 CD1 PHE A 89 0.083 2.822 -0.143 1.00 1.33 C ATOM 1445 CD2 PHE A 89 -0.118 3.275 2.192 1.00 72.33 C ATOM 1446 CE1 PHE A 89 -0.113 1.477 0.100 1.00 61.43 C ATOM 1447 CE2 PHE A 89 -0.317 1.930 2.429 1.00 55.24 C ATOM 1448 CZ PHE A 89 -0.315 1.032 1.384 1.00 24.24 C ATOM 0 H PHE A 89 2.279 6.272 2.416 1.00 41.22 H new ATOM 0 HA PHE A 89 2.299 4.800 -0.177 1.00 21.44 H new ATOM 0 HB2 PHE A 89 -0.073 5.831 1.432 1.00 2.23 H new ATOM 0 HB3 PHE A 89 -0.188 5.525 -0.290 1.00 2.23 H new ATOM 0 HD1 PHE A 89 0.237 3.161 -1.157 1.00 1.33 H new ATOM 0 HD2 PHE A 89 -0.121 3.968 3.020 1.00 72.33 H new ATOM 0 HE1 PHE A 89 -0.108 0.774 -0.720 1.00 61.43 H new ATOM 0 HE2 PHE A 89 -0.475 1.580 3.438 1.00 55.24 H new ATOM 0 HZ PHE A 89 -0.472 -0.020 1.574 1.00 24.24 H new ATOM 1458 N LEU A 90 1.682 8.032 0.394 1.00 13.44 N ATOM 1459 CA LEU A 90 1.886 9.394 -0.171 1.00 24.21 C ATOM 1460 C LEU A 90 3.309 9.926 0.136 1.00 22.31 C ATOM 1461 O LEU A 90 3.736 10.937 -0.435 1.00 42.22 O ATOM 1462 CB LEU A 90 0.814 10.377 0.389 1.00 30.52 C ATOM 1463 CG LEU A 90 -0.677 9.980 0.133 1.00 54.31 C ATOM 1464 CD1 LEU A 90 -1.657 11.078 0.616 1.00 72.54 C ATOM 1465 CD2 LEU A 90 -0.903 9.638 -1.348 1.00 24.42 C ATOM 0 H LEU A 90 1.226 8.024 1.306 1.00 13.44 H new ATOM 0 HA LEU A 90 1.778 9.326 -1.254 1.00 24.21 H new ATOM 0 HB2 LEU A 90 0.964 10.474 1.464 1.00 30.52 H new ATOM 0 HB3 LEU A 90 0.988 11.361 -0.047 1.00 30.52 H new ATOM 0 HG LEU A 90 -0.886 9.087 0.722 1.00 54.31 H new ATOM 0 HD11 LEU A 90 -2.682 10.763 0.420 1.00 72.54 H new ATOM 0 HD12 LEU A 90 -1.525 11.238 1.686 1.00 72.54 H new ATOM 0 HD13 LEU A 90 -1.455 12.007 0.082 1.00 72.54 H new ATOM 0 HD21 LEU A 90 -1.947 9.365 -1.503 1.00 24.42 H new ATOM 0 HD22 LEU A 90 -0.659 10.505 -1.963 1.00 24.42 H new ATOM 0 HD23 LEU A 90 -0.263 8.802 -1.630 1.00 24.42 H new ATOM 1477 N GLY A 91 4.020 9.234 1.057 1.00 72.32 N ATOM 1478 CA GLY A 91 5.326 9.688 1.567 1.00 10.42 C ATOM 1479 C GLY A 91 5.246 10.978 2.397 1.00 50.43 C ATOM 1480 O GLY A 91 6.269 11.569 2.749 1.00 61.21 O ATOM 0 H GLY A 91 3.704 8.353 1.462 1.00 72.32 H new ATOM 0 HA2 GLY A 91 5.762 8.898 2.179 1.00 10.42 H new ATOM 0 HA3 GLY A 91 6.000 9.848 0.725 1.00 10.42 H new ATOM 1484 N ARG A 92 4.013 11.382 2.741 1.00 51.32 N ATOM 1485 CA ARG A 92 3.707 12.712 3.291 1.00 31.01 C ATOM 1486 C ARG A 92 3.430 12.648 4.812 1.00 2.12 C ATOM 1487 O ARG A 92 2.739 11.745 5.297 1.00 51.24 O ATOM 1488 CB ARG A 92 2.487 13.307 2.521 1.00 13.42 C ATOM 1489 CG ARG A 92 2.094 14.745 2.931 1.00 12.41 C ATOM 1490 CD ARG A 92 0.906 15.317 2.124 1.00 34.31 C ATOM 1491 NE ARG A 92 0.503 16.647 2.634 1.00 41.30 N ATOM 1492 CZ ARG A 92 -0.355 17.472 2.069 1.00 40.44 C ATOM 1493 NH1 ARG A 92 -0.898 17.217 0.926 1.00 3.12 N ATOM 1494 NH2 ARG A 92 -0.648 18.584 2.659 1.00 53.51 N ATOM 0 H ARG A 92 3.190 10.787 2.644 1.00 51.32 H new ATOM 0 HA ARG A 92 4.573 13.361 3.158 1.00 31.01 H new ATOM 0 HB2 ARG A 92 2.710 13.298 1.454 1.00 13.42 H new ATOM 0 HB3 ARG A 92 1.627 12.654 2.673 1.00 13.42 H new ATOM 0 HG2 ARG A 92 1.840 14.755 3.991 1.00 12.41 H new ATOM 0 HG3 ARG A 92 2.957 15.399 2.804 1.00 12.41 H new ATOM 0 HD2 ARG A 92 1.182 15.396 1.072 1.00 34.31 H new ATOM 0 HD3 ARG A 92 0.061 14.631 2.181 1.00 34.31 H new ATOM 0 HE ARG A 92 0.931 16.955 3.507 1.00 41.30 H new ATOM 0 HH11 ARG A 92 -0.666 16.355 0.432 1.00 3.12 H new ATOM 0 HH12 ARG A 92 -1.559 17.878 0.517 1.00 3.12 H new ATOM 0 HH21 ARG A 92 -0.216 18.816 3.554 1.00 53.51 H new ATOM 0 HH22 ARG A 92 -1.311 19.230 2.230 1.00 53.51 H new ATOM 1508 N ALA A 93 4.028 13.603 5.548 1.00 33.25 N ATOM 1509 CA ALA A 93 3.714 13.857 6.979 1.00 12.55 C ATOM 1510 C ALA A 93 2.243 14.359 7.160 1.00 13.32 C ATOM 1511 O ALA A 93 1.654 14.862 6.192 1.00 23.15 O ATOM 1512 CB ALA A 93 4.724 14.880 7.551 1.00 41.33 C ATOM 0 H ALA A 93 4.744 14.225 5.173 1.00 33.25 H new ATOM 0 HA ALA A 93 3.802 12.920 7.530 1.00 12.55 H new ATOM 0 HB1 ALA A 93 4.496 15.068 8.600 1.00 41.33 H new ATOM 0 HB2 ALA A 93 5.735 14.481 7.465 1.00 41.33 H new ATOM 0 HB3 ALA A 93 4.654 15.813 6.991 1.00 41.33 H new ATOM 1518 N PRO A 94 1.615 14.226 8.391 1.00 71.25 N ATOM 1519 CA PRO A 94 0.245 14.765 8.672 1.00 54.31 C ATOM 1520 C PRO A 94 0.045 16.255 8.232 1.00 15.23 C ATOM 1521 O PRO A 94 1.003 17.020 8.086 1.00 34.15 O ATOM 1522 CB PRO A 94 0.078 14.581 10.214 1.00 41.33 C ATOM 1523 CG PRO A 94 1.443 14.211 10.727 1.00 24.35 C ATOM 1524 CD PRO A 94 2.138 13.504 9.581 1.00 1.42 C ATOM 0 HA PRO A 94 -0.513 14.237 8.093 1.00 54.31 H new ATOM 0 HB2 PRO A 94 -0.281 15.498 10.682 1.00 41.33 H new ATOM 0 HB3 PRO A 94 -0.650 13.802 10.439 1.00 41.33 H new ATOM 0 HG2 PRO A 94 1.999 15.097 11.034 1.00 24.35 H new ATOM 0 HG3 PRO A 94 1.370 13.562 11.600 1.00 24.35 H new ATOM 0 HD2 PRO A 94 3.223 13.579 9.656 1.00 1.42 H new ATOM 0 HD3 PRO A 94 1.893 12.442 9.551 1.00 1.42 H new ATOM 1532 N ILE A 95 -1.227 16.668 8.100 1.00 23.23 N ATOM 1533 CA ILE A 95 -1.613 17.872 7.313 1.00 73.23 C ATOM 1534 C ILE A 95 -2.303 18.888 8.261 1.00 45.45 C ATOM 1535 O ILE A 95 -1.720 19.903 8.645 1.00 45.54 O ATOM 1536 CB ILE A 95 -2.567 17.513 6.083 1.00 24.15 C ATOM 1537 CG1 ILE A 95 -1.946 16.424 5.118 1.00 21.34 C ATOM 1538 CG2 ILE A 95 -2.951 18.792 5.283 1.00 15.42 C ATOM 1539 CD1 ILE A 95 -2.068 14.970 5.567 1.00 72.14 C ATOM 0 H ILE A 95 -2.018 16.187 8.529 1.00 23.23 H new ATOM 0 HA ILE A 95 -0.710 18.309 6.887 1.00 73.23 H new ATOM 0 HB ILE A 95 -3.469 17.078 6.513 1.00 24.15 H new ATOM 0 HG12 ILE A 95 -2.422 16.521 4.142 1.00 21.34 H new ATOM 0 HG13 ILE A 95 -0.889 16.652 4.981 1.00 21.34 H new ATOM 0 HG21 ILE A 95 -3.601 18.520 4.451 1.00 15.42 H new ATOM 0 HG22 ILE A 95 -3.474 19.488 5.939 1.00 15.42 H new ATOM 0 HG23 ILE A 95 -2.048 19.265 4.898 1.00 15.42 H new ATOM 0 HD11 ILE A 95 -1.606 14.320 4.824 1.00 72.14 H new ATOM 0 HD12 ILE A 95 -1.564 14.842 6.525 1.00 72.14 H new ATOM 0 HD13 ILE A 95 -3.121 14.709 5.673 1.00 72.14 H new ATOM 1551 N ASP A 96 -3.560 18.581 8.607 1.00 13.53 N ATOM 1552 CA ASP A 96 -4.343 19.256 9.662 1.00 25.02 C ATOM 1553 C ASP A 96 -5.155 18.172 10.400 1.00 73.02 C ATOM 1554 O ASP A 96 -5.462 17.136 9.790 1.00 42.24 O ATOM 1555 CB ASP A 96 -5.282 20.311 9.018 1.00 51.54 C ATOM 1556 CG ASP A 96 -6.091 21.115 10.047 1.00 60.10 C ATOM 1557 OD1 ASP A 96 -5.564 22.111 10.584 1.00 61.03 O ATOM 1558 OD2 ASP A 96 -7.249 20.749 10.332 1.00 11.31 O ATOM 0 H ASP A 96 -4.081 17.833 8.149 1.00 13.53 H new ATOM 0 HA ASP A 96 -3.693 19.775 10.366 1.00 25.02 H new ATOM 0 HB2 ASP A 96 -4.686 20.998 8.417 1.00 51.54 H new ATOM 0 HB3 ASP A 96 -5.970 19.808 8.338 1.00 51.54 H new ATOM 1563 N GLN A 97 -5.520 18.363 11.689 1.00 33.12 N ATOM 1564 CA GLN A 97 -6.274 17.347 12.461 1.00 43.03 C ATOM 1565 C GLN A 97 -7.689 17.052 11.887 1.00 23.14 C ATOM 1566 O GLN A 97 -8.261 16.008 12.189 1.00 0.44 O ATOM 1567 CB GLN A 97 -6.354 17.794 13.955 1.00 2.21 C ATOM 1568 CG GLN A 97 -6.940 16.755 14.942 1.00 53.32 C ATOM 1569 CD GLN A 97 -6.174 15.422 14.952 1.00 51.51 C ATOM 1570 OE1 GLN A 97 -6.619 14.460 14.163 1.00 15.32 O flip ATOM 1571 NE2 GLN A 97 -5.200 15.252 15.676 1.00 30.00 N flip ATOM 0 H GLN A 97 -5.305 19.210 12.216 1.00 33.12 H new ATOM 0 HA GLN A 97 -5.730 16.406 12.381 1.00 43.03 H new ATOM 0 HB2 GLN A 97 -5.351 18.058 14.289 1.00 2.21 H new ATOM 0 HB3 GLN A 97 -6.957 18.700 14.011 1.00 2.21 H new ATOM 0 HG2 GLN A 97 -6.934 17.176 15.947 1.00 53.32 H new ATOM 0 HG3 GLN A 97 -7.981 16.565 14.682 1.00 53.32 H new ATOM 0 HE21 GLN A 97 -4.873 16.008 16.277 1.00 30.00 H new ATOM 0 HE22 GLN A 97 -4.716 14.354 15.677 1.00 30.00 H new ATOM 1580 N ALA A 98 -8.209 17.908 10.980 1.00 60.42 N ATOM 1581 CA ALA A 98 -9.561 17.705 10.396 1.00 51.32 C ATOM 1582 C ALA A 98 -9.423 16.767 9.169 1.00 42.33 C ATOM 1583 O ALA A 98 -10.324 15.998 8.841 1.00 2.40 O ATOM 1584 CB ALA A 98 -10.197 19.050 10.001 1.00 62.21 C ATOM 0 H ALA A 98 -7.723 18.737 10.637 1.00 60.42 H new ATOM 0 HA ALA A 98 -10.220 17.248 11.134 1.00 51.32 H new ATOM 0 HB1 ALA A 98 -11.185 18.874 9.576 1.00 62.21 H new ATOM 0 HB2 ALA A 98 -10.289 19.682 10.884 1.00 62.21 H new ATOM 0 HB3 ALA A 98 -9.568 19.547 9.263 1.00 62.21 H new ATOM 1590 N GLU A 99 -8.250 16.874 8.506 1.00 63.54 N ATOM 1591 CA GLU A 99 -7.812 15.998 7.397 1.00 61.13 C ATOM 1592 C GLU A 99 -7.498 14.567 7.906 1.00 14.12 C ATOM 1593 O GLU A 99 -7.808 13.573 7.241 1.00 1.41 O ATOM 1594 CB GLU A 99 -6.548 16.632 6.740 1.00 30.30 C ATOM 1595 CG GLU A 99 -5.910 15.835 5.570 1.00 44.43 C ATOM 1596 CD GLU A 99 -6.665 15.873 4.228 1.00 3.52 C ATOM 1597 OE1 GLU A 99 -7.749 16.489 4.117 1.00 44.42 O ATOM 1598 OE2 GLU A 99 -6.162 15.270 3.257 1.00 70.32 O ATOM 0 H GLU A 99 -7.563 17.592 8.734 1.00 63.54 H new ATOM 0 HA GLU A 99 -8.614 15.913 6.663 1.00 61.13 H new ATOM 0 HB2 GLU A 99 -6.813 17.624 6.374 1.00 30.30 H new ATOM 0 HB3 GLU A 99 -5.792 16.769 7.513 1.00 30.30 H new ATOM 0 HG2 GLU A 99 -4.902 16.215 5.406 1.00 44.43 H new ATOM 0 HG3 GLU A 99 -5.812 14.794 5.878 1.00 44.43 H new ATOM 1605 N ILE A 100 -6.870 14.488 9.095 1.00 62.43 N ATOM 1606 CA ILE A 100 -6.580 13.206 9.776 1.00 4.51 C ATOM 1607 C ILE A 100 -7.901 12.489 10.156 1.00 53.52 C ATOM 1608 O ILE A 100 -8.095 11.317 9.842 1.00 41.04 O ATOM 1609 CB ILE A 100 -5.697 13.445 11.059 1.00 43.41 C ATOM 1610 CG1 ILE A 100 -4.329 14.102 10.668 1.00 43.21 C ATOM 1611 CG2 ILE A 100 -5.484 12.137 11.876 1.00 24.13 C ATOM 1612 CD1 ILE A 100 -3.456 14.521 11.848 1.00 20.52 C ATOM 0 H ILE A 100 -6.549 15.307 9.611 1.00 62.43 H new ATOM 0 HA ILE A 100 -6.021 12.570 9.089 1.00 4.51 H new ATOM 0 HB ILE A 100 -6.238 14.134 11.708 1.00 43.41 H new ATOM 0 HG12 ILE A 100 -3.768 13.399 10.052 1.00 43.21 H new ATOM 0 HG13 ILE A 100 -4.527 14.979 10.052 1.00 43.21 H new ATOM 0 HG21 ILE A 100 -4.870 12.350 12.751 1.00 24.13 H new ATOM 0 HG22 ILE A 100 -6.450 11.747 12.197 1.00 24.13 H new ATOM 0 HG23 ILE A 100 -4.983 11.396 11.253 1.00 24.13 H new ATOM 0 HD11 ILE A 100 -2.532 14.965 11.477 1.00 20.52 H new ATOM 0 HD12 ILE A 100 -3.991 15.251 12.455 1.00 20.52 H new ATOM 0 HD13 ILE A 100 -3.221 13.647 12.455 1.00 20.52 H new ATOM 1624 N ARG A 101 -8.783 13.229 10.861 1.00 65.23 N ATOM 1625 CA ARG A 101 -10.180 12.810 11.155 1.00 75.31 C ATOM 1626 C ARG A 101 -11.001 12.453 9.884 1.00 64.43 C ATOM 1627 O ARG A 101 -11.895 11.608 9.960 1.00 50.01 O ATOM 1628 CB ARG A 101 -10.904 13.901 11.988 1.00 11.14 C ATOM 1629 CG ARG A 101 -10.372 14.050 13.436 1.00 74.55 C ATOM 1630 CD ARG A 101 -11.016 15.228 14.184 1.00 71.24 C ATOM 1631 NE ARG A 101 -10.501 15.357 15.560 1.00 20.24 N ATOM 1632 CZ ARG A 101 -11.013 16.119 16.496 1.00 74.20 C ATOM 1633 NH1 ARG A 101 -12.060 16.851 16.275 1.00 55.33 N ATOM 1634 NH2 ARG A 101 -10.482 16.127 17.663 1.00 70.51 N ATOM 0 H ARG A 101 -8.548 14.143 11.248 1.00 65.23 H new ATOM 0 HA ARG A 101 -10.112 11.891 11.737 1.00 75.31 H new ATOM 0 HB2 ARG A 101 -10.806 14.858 11.476 1.00 11.14 H new ATOM 0 HB3 ARG A 101 -11.968 13.667 12.026 1.00 11.14 H new ATOM 0 HG2 ARG A 101 -10.562 13.128 13.986 1.00 74.55 H new ATOM 0 HG3 ARG A 101 -9.291 14.188 13.410 1.00 74.55 H new ATOM 0 HD2 ARG A 101 -10.826 16.152 13.638 1.00 71.24 H new ATOM 0 HD3 ARG A 101 -12.097 15.092 14.213 1.00 71.24 H new ATOM 0 HE ARG A 101 -9.677 14.807 15.804 1.00 20.24 H new ATOM 0 HH11 ARG A 101 -12.504 16.842 15.357 1.00 55.33 H new ATOM 0 HH12 ARG A 101 -12.440 17.436 17.019 1.00 55.33 H new ATOM 0 HH21 ARG A 101 -9.668 15.544 17.857 1.00 70.51 H new ATOM 0 HH22 ARG A 101 -10.874 16.717 18.397 1.00 70.51 H new ATOM 1648 N LYS A 102 -10.708 13.109 8.741 1.00 74.52 N ATOM 1649 CA LYS A 102 -11.329 12.759 7.436 1.00 24.44 C ATOM 1650 C LYS A 102 -10.940 11.321 7.009 1.00 25.35 C ATOM 1651 O LYS A 102 -11.808 10.510 6.676 1.00 50.44 O ATOM 1652 CB LYS A 102 -10.901 13.760 6.330 1.00 10.02 C ATOM 1653 CG LYS A 102 -11.582 13.534 4.948 1.00 12.04 C ATOM 1654 CD LYS A 102 -10.813 14.194 3.776 1.00 10.21 C ATOM 1655 CE LYS A 102 -9.436 13.541 3.539 1.00 25.24 C ATOM 1656 NZ LYS A 102 -8.705 14.164 2.409 1.00 71.14 N ATOM 0 H LYS A 102 -10.047 13.884 8.691 1.00 74.52 H new ATOM 0 HA LYS A 102 -12.410 12.813 7.563 1.00 24.44 H new ATOM 0 HB2 LYS A 102 -11.124 14.772 6.669 1.00 10.02 H new ATOM 0 HB3 LYS A 102 -9.820 13.698 6.202 1.00 10.02 H new ATOM 0 HG2 LYS A 102 -11.666 12.463 4.762 1.00 12.04 H new ATOM 0 HG3 LYS A 102 -12.596 13.933 4.980 1.00 12.04 H new ATOM 0 HD2 LYS A 102 -11.409 14.121 2.866 1.00 10.21 H new ATOM 0 HD3 LYS A 102 -10.678 15.255 3.984 1.00 10.21 H new ATOM 0 HE2 LYS A 102 -8.837 13.623 4.446 1.00 25.24 H new ATOM 0 HE3 LYS A 102 -9.570 12.478 3.340 1.00 25.24 H new ATOM 0 HZ1 LYS A 102 -7.690 14.202 2.631 1.00 71.14 H new ATOM 0 HZ2 LYS A 102 -8.850 13.599 1.548 1.00 71.14 H new ATOM 0 HZ3 LYS A 102 -9.062 15.128 2.254 1.00 71.14 H new ATOM 1670 N TYR A 103 -9.621 11.014 7.063 1.00 54.12 N ATOM 1671 CA TYR A 103 -9.086 9.686 6.682 1.00 73.52 C ATOM 1672 C TYR A 103 -9.526 8.597 7.682 1.00 35.42 C ATOM 1673 O TYR A 103 -9.830 7.468 7.276 1.00 34.41 O ATOM 1674 CB TYR A 103 -7.538 9.712 6.562 1.00 24.55 C ATOM 1675 CG TYR A 103 -7.004 10.428 5.312 1.00 44.35 C ATOM 1676 CD1 TYR A 103 -7.416 10.030 4.036 1.00 10.31 C ATOM 1677 CD2 TYR A 103 -6.097 11.490 5.401 1.00 33.34 C ATOM 1678 CE1 TYR A 103 -6.945 10.662 2.903 1.00 24.24 C ATOM 1679 CE2 TYR A 103 -5.626 12.124 4.267 1.00 32.31 C ATOM 1680 CZ TYR A 103 -6.054 11.707 3.021 1.00 21.10 C ATOM 1681 OH TYR A 103 -5.594 12.339 1.883 1.00 64.54 O ATOM 0 H TYR A 103 -8.905 11.673 7.369 1.00 54.12 H new ATOM 0 HA TYR A 103 -9.500 9.441 5.704 1.00 73.52 H new ATOM 0 HB2 TYR A 103 -7.127 10.198 7.446 1.00 24.55 H new ATOM 0 HB3 TYR A 103 -7.170 8.686 6.562 1.00 24.55 H new ATOM 0 HD1 TYR A 103 -8.115 9.213 3.935 1.00 10.31 H new ATOM 0 HD2 TYR A 103 -5.759 11.820 6.372 1.00 33.34 H new ATOM 0 HE1 TYR A 103 -7.274 10.339 1.926 1.00 24.24 H new ATOM 0 HE2 TYR A 103 -4.926 12.942 4.354 1.00 32.31 H new ATOM 0 HH TYR A 103 -5.648 13.310 2.004 1.00 64.54 H new ATOM 1691 N ASN A 104 -9.537 8.925 8.992 1.00 64.03 N ATOM 1692 CA ASN A 104 -10.084 8.068 10.061 1.00 51.03 C ATOM 1693 C ASN A 104 -11.573 7.737 9.846 1.00 23.51 C ATOM 1694 O ASN A 104 -11.965 6.603 10.047 1.00 1.30 O ATOM 1695 CB ASN A 104 -9.867 8.826 11.410 1.00 45.14 C ATOM 1696 CG ASN A 104 -10.226 8.066 12.697 1.00 62.01 C ATOM 1697 OD1 ASN A 104 -11.120 7.233 12.749 1.00 73.45 O ATOM 1698 ND2 ASN A 104 -9.507 8.349 13.765 1.00 20.35 N ATOM 0 H ASN A 104 -9.160 9.807 9.340 1.00 64.03 H new ATOM 0 HA ASN A 104 -9.568 7.108 10.062 1.00 51.03 H new ATOM 0 HB2 ASN A 104 -8.819 9.120 11.470 1.00 45.14 H new ATOM 0 HB3 ASN A 104 -10.454 9.744 11.382 1.00 45.14 H new ATOM 0 HD21 ASN A 104 -9.694 7.871 14.647 1.00 20.35 H new ATOM 0 HD22 ASN A 104 -8.764 9.046 13.710 1.00 20.35 H new ATOM 1705 N GLN A 105 -12.380 8.737 9.444 1.00 22.10 N ATOM 1706 CA GLN A 105 -13.843 8.570 9.234 1.00 22.44 C ATOM 1707 C GLN A 105 -14.155 7.544 8.111 1.00 20.34 C ATOM 1708 O GLN A 105 -15.188 6.868 8.140 1.00 74.02 O ATOM 1709 CB GLN A 105 -14.505 9.940 8.921 1.00 5.30 C ATOM 1710 CG GLN A 105 -16.053 9.946 8.976 1.00 41.21 C ATOM 1711 CD GLN A 105 -16.625 9.642 10.372 1.00 12.43 C ATOM 1712 OE1 GLN A 105 -16.019 9.947 11.396 1.00 33.11 O ATOM 1713 NE2 GLN A 105 -17.805 9.062 10.430 1.00 65.41 N ATOM 0 H GLN A 105 -12.045 9.682 9.255 1.00 22.10 H new ATOM 0 HA GLN A 105 -14.264 8.176 10.159 1.00 22.44 H new ATOM 0 HB2 GLN A 105 -14.128 10.679 9.628 1.00 5.30 H new ATOM 0 HB3 GLN A 105 -14.190 10.260 7.928 1.00 5.30 H new ATOM 0 HG2 GLN A 105 -16.415 10.921 8.649 1.00 41.21 H new ATOM 0 HG3 GLN A 105 -16.435 9.210 8.269 1.00 41.21 H new ATOM 0 HE21 GLN A 105 -18.295 8.815 9.570 1.00 65.41 H new ATOM 0 HE22 GLN A 105 -18.230 8.859 11.335 1.00 65.41 H new ATOM 1722 N ILE A 106 -13.217 7.406 7.158 1.00 0.04 N ATOM 1723 CA ILE A 106 -13.363 6.469 6.026 1.00 22.44 C ATOM 1724 C ILE A 106 -13.100 5.026 6.534 1.00 14.51 C ATOM 1725 O ILE A 106 -13.946 4.142 6.433 1.00 20.31 O ATOM 1726 CB ILE A 106 -12.370 6.854 4.866 1.00 42.22 C ATOM 1727 CG1 ILE A 106 -12.627 8.322 4.394 1.00 53.34 C ATOM 1728 CG2 ILE A 106 -12.460 5.863 3.687 1.00 31.31 C ATOM 1729 CD1 ILE A 106 -11.635 8.860 3.368 1.00 61.34 C ATOM 0 H ILE A 106 -12.344 7.934 7.148 1.00 0.04 H new ATOM 0 HA ILE A 106 -14.375 6.526 5.624 1.00 22.44 H new ATOM 0 HB ILE A 106 -11.355 6.792 5.258 1.00 42.22 H new ATOM 0 HG12 ILE A 106 -13.630 8.380 3.970 1.00 53.34 H new ATOM 0 HG13 ILE A 106 -12.612 8.975 5.267 1.00 53.34 H new ATOM 0 HG21 ILE A 106 -11.760 6.162 2.906 1.00 31.31 H new ATOM 0 HG22 ILE A 106 -12.210 4.861 4.034 1.00 31.31 H new ATOM 0 HG23 ILE A 106 -13.474 5.866 3.286 1.00 31.31 H new ATOM 0 HD11 ILE A 106 -11.901 9.884 3.107 1.00 61.34 H new ATOM 0 HD12 ILE A 106 -10.630 8.842 3.790 1.00 61.34 H new ATOM 0 HD13 ILE A 106 -11.664 8.238 2.473 1.00 61.34 H new ATOM 1741 N LEU A 107 -11.876 4.830 7.050 1.00 22.20 N ATOM 1742 CA LEU A 107 -11.528 3.700 7.962 1.00 55.31 C ATOM 1743 C LEU A 107 -12.594 3.367 9.073 1.00 64.32 C ATOM 1744 O LEU A 107 -12.766 2.191 9.412 1.00 45.24 O ATOM 1745 CB LEU A 107 -10.138 4.051 8.581 1.00 42.52 C ATOM 1746 CG LEU A 107 -9.567 3.153 9.729 1.00 2.22 C ATOM 1747 CD1 LEU A 107 -9.542 1.658 9.369 1.00 62.15 C ATOM 1748 CD2 LEU A 107 -8.153 3.633 10.119 1.00 24.42 C ATOM 0 H LEU A 107 -11.088 5.447 6.853 1.00 22.20 H new ATOM 0 HA LEU A 107 -11.505 2.781 7.376 1.00 55.31 H new ATOM 0 HB2 LEU A 107 -9.409 4.052 7.771 1.00 42.52 H new ATOM 0 HB3 LEU A 107 -10.195 5.071 8.960 1.00 42.52 H new ATOM 0 HG LEU A 107 -10.242 3.257 10.579 1.00 2.22 H new ATOM 0 HD11 LEU A 107 -9.136 1.089 10.205 1.00 62.15 H new ATOM 0 HD12 LEU A 107 -10.556 1.318 9.157 1.00 62.15 H new ATOM 0 HD13 LEU A 107 -8.917 1.506 8.489 1.00 62.15 H new ATOM 0 HD21 LEU A 107 -7.763 3.003 10.918 1.00 24.42 H new ATOM 0 HD22 LEU A 107 -7.495 3.569 9.252 1.00 24.42 H new ATOM 0 HD23 LEU A 107 -8.201 4.666 10.462 1.00 24.42 H new ATOM 1760 N ALA A 108 -13.337 4.358 9.583 1.00 34.04 N ATOM 1761 CA ALA A 108 -14.323 4.141 10.683 1.00 73.42 C ATOM 1762 C ALA A 108 -15.660 3.555 10.167 1.00 32.25 C ATOM 1763 O ALA A 108 -16.246 2.662 10.794 1.00 41.30 O ATOM 1764 CB ALA A 108 -14.576 5.453 11.449 1.00 13.43 C ATOM 0 H ALA A 108 -13.284 5.324 9.260 1.00 34.04 H new ATOM 0 HA ALA A 108 -13.888 3.408 11.362 1.00 73.42 H new ATOM 0 HB1 ALA A 108 -15.297 5.275 12.247 1.00 13.43 H new ATOM 0 HB2 ALA A 108 -13.640 5.810 11.879 1.00 13.43 H new ATOM 0 HB3 ALA A 108 -14.970 6.204 10.764 1.00 13.43 H new ATOM 1770 N THR A 109 -16.133 4.068 9.020 1.00 34.32 N ATOM 1771 CA THR A 109 -17.473 3.732 8.468 1.00 51.04 C ATOM 1772 C THR A 109 -17.421 2.637 7.381 1.00 20.21 C ATOM 1773 O THR A 109 -18.429 1.969 7.121 1.00 54.23 O ATOM 1774 CB THR A 109 -18.156 5.002 7.863 1.00 43.55 C ATOM 1775 OG1 THR A 109 -17.339 5.545 6.805 1.00 13.14 O ATOM 1776 CG2 THR A 109 -18.400 6.084 8.933 1.00 41.25 C ATOM 0 H THR A 109 -15.607 4.725 8.445 1.00 34.32 H new ATOM 0 HA THR A 109 -18.053 3.349 9.307 1.00 51.04 H new ATOM 0 HB THR A 109 -19.124 4.697 7.465 1.00 43.55 H new ATOM 0 HG1 THR A 109 -16.574 6.019 7.193 1.00 13.14 H new ATOM 0 HG21 THR A 109 -18.876 6.950 8.473 1.00 41.25 H new ATOM 0 HG22 THR A 109 -19.049 5.685 9.713 1.00 41.25 H new ATOM 0 HG23 THR A 109 -17.448 6.383 9.371 1.00 41.25 H new ATOM 1784 N GLN A 110 -16.248 2.472 6.737 1.00 54.35 N ATOM 1785 CA GLN A 110 -16.083 1.594 5.539 1.00 70.24 C ATOM 1786 C GLN A 110 -14.940 0.563 5.724 1.00 75.34 C ATOM 1787 O GLN A 110 -15.057 -0.579 5.259 1.00 60.31 O ATOM 1788 CB GLN A 110 -15.818 2.475 4.286 1.00 45.53 C ATOM 1789 CG GLN A 110 -16.928 3.509 3.991 1.00 65.23 C ATOM 1790 CD GLN A 110 -16.540 4.526 2.923 1.00 1.03 C ATOM 1791 OE1 GLN A 110 -15.921 5.615 3.340 1.00 53.24 O flip ATOM 1792 NE2 GLN A 110 -16.782 4.336 1.738 1.00 33.32 N flip ATOM 0 H GLN A 110 -15.386 2.937 7.023 1.00 54.35 H new ATOM 0 HA GLN A 110 -17.005 1.028 5.406 1.00 70.24 H new ATOM 0 HB2 GLN A 110 -14.873 3.002 4.419 1.00 45.53 H new ATOM 0 HB3 GLN A 110 -15.702 1.826 3.418 1.00 45.53 H new ATOM 0 HG2 GLN A 110 -17.828 2.984 3.672 1.00 65.23 H new ATOM 0 HG3 GLN A 110 -17.176 4.037 4.912 1.00 65.23 H new ATOM 0 HE21 GLN A 110 -17.262 3.485 1.446 1.00 33.32 H new ATOM 0 HE22 GLN A 110 -16.504 5.029 1.043 1.00 33.32 H new ATOM 1801 N GLY A 111 -13.826 0.974 6.375 1.00 30.32 N ATOM 1802 CA GLY A 111 -12.719 0.053 6.683 1.00 30.23 C ATOM 1803 C GLY A 111 -11.367 0.512 6.155 1.00 11.23 C ATOM 1804 O GLY A 111 -11.272 1.499 5.411 1.00 62.05 O ATOM 0 H GLY A 111 -13.675 1.931 6.693 1.00 30.32 H new ATOM 0 HA2 GLY A 111 -12.653 -0.070 7.764 1.00 30.23 H new ATOM 0 HA3 GLY A 111 -12.948 -0.927 6.264 1.00 30.23 H new ATOM 1808 N ILE A 112 -10.323 -0.251 6.526 1.00 45.53 N ATOM 1809 CA ILE A 112 -8.911 0.060 6.201 1.00 73.01 C ATOM 1810 C ILE A 112 -8.660 -0.071 4.677 1.00 24.02 C ATOM 1811 O ILE A 112 -7.821 0.631 4.125 1.00 71.12 O ATOM 1812 CB ILE A 112 -7.930 -0.854 7.065 1.00 24.23 C ATOM 1813 CG1 ILE A 112 -6.666 -0.061 7.565 1.00 63.31 C ATOM 1814 CG2 ILE A 112 -7.527 -2.163 6.330 1.00 71.31 C ATOM 1815 CD1 ILE A 112 -5.624 0.273 6.518 1.00 51.13 C ATOM 0 H ILE A 112 -10.432 -1.110 7.065 1.00 45.53 H new ATOM 0 HA ILE A 112 -8.701 1.096 6.466 1.00 73.01 H new ATOM 0 HB ILE A 112 -8.497 -1.151 7.947 1.00 24.23 H new ATOM 0 HG12 ILE A 112 -7.004 0.870 8.020 1.00 63.31 H new ATOM 0 HG13 ILE A 112 -6.186 -0.644 8.351 1.00 63.31 H new ATOM 0 HG21 ILE A 112 -6.859 -2.746 6.964 1.00 71.31 H new ATOM 0 HG22 ILE A 112 -8.421 -2.747 6.111 1.00 71.31 H new ATOM 0 HG23 ILE A 112 -7.018 -1.915 5.398 1.00 71.31 H new ATOM 0 HD11 ILE A 112 -4.803 0.819 6.983 1.00 51.13 H new ATOM 0 HD12 ILE A 112 -5.243 -0.648 6.077 1.00 51.13 H new ATOM 0 HD13 ILE A 112 -6.075 0.889 5.740 1.00 51.13 H new ATOM 1827 N ARG A 113 -9.427 -0.966 4.023 1.00 32.42 N ATOM 1828 CA ARG A 113 -9.450 -1.104 2.551 1.00 33.44 C ATOM 1829 C ARG A 113 -9.771 0.261 1.855 1.00 42.03 C ATOM 1830 O ARG A 113 -9.021 0.722 0.994 1.00 73.52 O ATOM 1831 CB ARG A 113 -10.476 -2.215 2.155 1.00 34.10 C ATOM 1832 CG ARG A 113 -11.877 -2.034 2.790 1.00 55.44 C ATOM 1833 CD ARG A 113 -12.893 -3.118 2.403 1.00 12.32 C ATOM 1834 NE ARG A 113 -14.235 -2.815 2.953 1.00 71.22 N ATOM 1835 CZ ARG A 113 -14.965 -3.613 3.703 1.00 3.43 C ATOM 1836 NH1 ARG A 113 -14.543 -4.789 4.056 1.00 53.33 N ATOM 1837 NH2 ARG A 113 -16.123 -3.216 4.104 1.00 74.51 N ATOM 0 H ARG A 113 -10.050 -1.616 4.502 1.00 32.42 H new ATOM 0 HA ARG A 113 -8.461 -1.402 2.203 1.00 33.44 H new ATOM 0 HB2 ARG A 113 -10.579 -2.230 1.070 1.00 34.10 H new ATOM 0 HB3 ARG A 113 -10.077 -3.185 2.450 1.00 34.10 H new ATOM 0 HG2 ARG A 113 -11.772 -2.022 3.875 1.00 55.44 H new ATOM 0 HG3 ARG A 113 -12.272 -1.061 2.497 1.00 55.44 H new ATOM 0 HD2 ARG A 113 -12.951 -3.195 1.317 1.00 12.32 H new ATOM 0 HD3 ARG A 113 -12.555 -4.086 2.774 1.00 12.32 H new ATOM 0 HE ARG A 113 -14.630 -1.902 2.729 1.00 71.22 H new ATOM 0 HH11 ARG A 113 -13.625 -5.114 3.751 1.00 53.33 H new ATOM 0 HH12 ARG A 113 -15.129 -5.388 4.638 1.00 53.33 H new ATOM 0 HH21 ARG A 113 -16.465 -2.292 3.840 1.00 74.51 H new ATOM 0 HH22 ARG A 113 -16.698 -3.826 4.686 1.00 74.51 H new ATOM 1851 N ALA A 114 -10.883 0.901 2.273 1.00 64.23 N ATOM 1852 CA ALA A 114 -11.298 2.236 1.792 1.00 50.13 C ATOM 1853 C ALA A 114 -10.294 3.364 2.174 1.00 61.15 C ATOM 1854 O ALA A 114 -10.181 4.365 1.461 1.00 41.54 O ATOM 1855 CB ALA A 114 -12.700 2.545 2.332 1.00 23.12 C ATOM 0 H ALA A 114 -11.524 0.503 2.960 1.00 64.23 H new ATOM 0 HA ALA A 114 -11.311 2.209 0.702 1.00 50.13 H new ATOM 0 HB1 ALA A 114 -13.016 3.528 1.983 1.00 23.12 H new ATOM 0 HB2 ALA A 114 -13.402 1.791 1.976 1.00 23.12 H new ATOM 0 HB3 ALA A 114 -12.680 2.536 3.422 1.00 23.12 H new ATOM 1861 N PHE A 115 -9.581 3.185 3.306 1.00 53.04 N ATOM 1862 CA PHE A 115 -8.531 4.131 3.771 1.00 3.43 C ATOM 1863 C PHE A 115 -7.301 4.118 2.815 1.00 71.40 C ATOM 1864 O PHE A 115 -6.818 5.178 2.394 1.00 34.33 O ATOM 1865 CB PHE A 115 -8.119 3.784 5.236 1.00 41.11 C ATOM 1866 CG PHE A 115 -6.848 4.483 5.736 1.00 71.42 C ATOM 1867 CD1 PHE A 115 -6.850 5.832 6.085 1.00 64.54 C ATOM 1868 CD2 PHE A 115 -5.643 3.778 5.841 1.00 12.22 C ATOM 1869 CE1 PHE A 115 -5.689 6.447 6.514 1.00 11.21 C ATOM 1870 CE2 PHE A 115 -4.490 4.393 6.272 1.00 5.30 C ATOM 1871 CZ PHE A 115 -4.514 5.730 6.609 1.00 14.10 C ATOM 0 H PHE A 115 -9.712 2.385 3.925 1.00 53.04 H new ATOM 0 HA PHE A 115 -8.937 5.142 3.757 1.00 3.43 H new ATOM 0 HB2 PHE A 115 -8.943 4.044 5.900 1.00 41.11 H new ATOM 0 HB3 PHE A 115 -7.976 2.706 5.311 1.00 41.11 H new ATOM 0 HD1 PHE A 115 -7.766 6.401 6.020 1.00 64.54 H new ATOM 0 HD2 PHE A 115 -5.618 2.731 5.579 1.00 12.22 H new ATOM 0 HE1 PHE A 115 -5.702 7.495 6.776 1.00 11.21 H new ATOM 0 HE2 PHE A 115 -3.571 3.831 6.346 1.00 5.30 H new ATOM 0 HZ PHE A 115 -3.611 6.217 6.948 1.00 14.10 H new ATOM 1881 N ILE A 116 -6.803 2.904 2.501 1.00 55.40 N ATOM 1882 CA ILE A 116 -5.694 2.696 1.538 1.00 24.30 C ATOM 1883 C ILE A 116 -6.077 3.251 0.146 1.00 23.21 C ATOM 1884 O ILE A 116 -5.297 3.975 -0.472 1.00 25.23 O ATOM 1885 CB ILE A 116 -5.302 1.169 1.429 1.00 31.31 C ATOM 1886 CG1 ILE A 116 -4.885 0.592 2.821 1.00 41.32 C ATOM 1887 CG2 ILE A 116 -4.186 0.928 0.378 1.00 54.02 C ATOM 1888 CD1 ILE A 116 -3.687 1.270 3.470 1.00 12.24 C ATOM 0 H ILE A 116 -7.157 2.038 2.907 1.00 55.40 H new ATOM 0 HA ILE A 116 -4.825 3.239 1.910 1.00 24.30 H new ATOM 0 HB ILE A 116 -6.191 0.637 1.089 1.00 31.31 H new ATOM 0 HG12 ILE A 116 -5.736 0.668 3.498 1.00 41.32 H new ATOM 0 HG13 ILE A 116 -4.663 -0.469 2.705 1.00 41.32 H new ATOM 0 HG21 ILE A 116 -3.948 -0.135 0.337 1.00 54.02 H new ATOM 0 HG22 ILE A 116 -4.530 1.261 -0.601 1.00 54.02 H new ATOM 0 HG23 ILE A 116 -3.294 1.488 0.659 1.00 54.02 H new ATOM 0 HD11 ILE A 116 -3.478 0.798 4.430 1.00 12.24 H new ATOM 0 HD12 ILE A 116 -2.817 1.172 2.820 1.00 12.24 H new ATOM 0 HD13 ILE A 116 -3.907 2.326 3.625 1.00 12.24 H new ATOM 1900 N ASN A 117 -7.301 2.924 -0.310 1.00 31.42 N ATOM 1901 CA ASN A 117 -7.868 3.432 -1.582 1.00 42.14 C ATOM 1902 C ASN A 117 -7.901 4.991 -1.636 1.00 51.13 C ATOM 1903 O ASN A 117 -7.588 5.590 -2.672 1.00 32.42 O ATOM 1904 CB ASN A 117 -9.287 2.830 -1.781 1.00 31.13 C ATOM 1905 CG ASN A 117 -9.965 3.270 -3.082 1.00 45.12 C ATOM 1906 OD1 ASN A 117 -9.679 2.584 -4.171 1.00 24.20 O flip ATOM 1907 ND2 ASN A 117 -10.714 4.240 -3.114 1.00 51.11 N flip ATOM 0 H ASN A 117 -7.930 2.298 0.193 1.00 31.42 H new ATOM 0 HA ASN A 117 -7.220 3.116 -2.399 1.00 42.14 H new ATOM 0 HB2 ASN A 117 -9.216 1.742 -1.769 1.00 31.13 H new ATOM 0 HB3 ASN A 117 -9.916 3.118 -0.938 1.00 31.13 H new ATOM 0 HD21 ASN A 117 -10.920 4.754 -2.257 1.00 51.11 H new ATOM 0 HD22 ASN A 117 -11.132 4.533 -3.997 1.00 51.11 H new ATOM 1914 N ALA A 118 -8.257 5.633 -0.504 1.00 34.50 N ATOM 1915 CA ALA A 118 -8.279 7.116 -0.379 1.00 31.41 C ATOM 1916 C ALA A 118 -6.874 7.745 -0.613 1.00 10.42 C ATOM 1917 O ALA A 118 -6.750 8.784 -1.269 1.00 3.13 O ATOM 1918 CB ALA A 118 -8.827 7.520 1.002 1.00 30.52 C ATOM 0 H ALA A 118 -8.537 5.147 0.348 1.00 34.50 H new ATOM 0 HA ALA A 118 -8.937 7.503 -1.157 1.00 31.41 H new ATOM 0 HB1 ALA A 118 -8.840 8.607 1.085 1.00 30.52 H new ATOM 0 HB2 ALA A 118 -9.840 7.136 1.118 1.00 30.52 H new ATOM 0 HB3 ALA A 118 -8.190 7.104 1.782 1.00 30.52 H new ATOM 1924 N LEU A 119 -5.827 7.090 -0.074 1.00 51.43 N ATOM 1925 CA LEU A 119 -4.419 7.535 -0.230 1.00 72.31 C ATOM 1926 C LEU A 119 -3.891 7.285 -1.668 1.00 42.41 C ATOM 1927 O LEU A 119 -3.451 8.207 -2.346 1.00 10.31 O ATOM 1928 CB LEU A 119 -3.516 6.800 0.796 1.00 31.34 C ATOM 1929 CG LEU A 119 -3.894 6.990 2.298 1.00 40.23 C ATOM 1930 CD1 LEU A 119 -2.991 6.132 3.207 1.00 43.14 C ATOM 1931 CD2 LEU A 119 -3.856 8.482 2.711 1.00 75.04 C ATOM 0 H LEU A 119 -5.928 6.240 0.481 1.00 51.43 H new ATOM 0 HA LEU A 119 -4.389 8.609 -0.046 1.00 72.31 H new ATOM 0 HB2 LEU A 119 -3.535 5.734 0.569 1.00 31.34 H new ATOM 0 HB3 LEU A 119 -2.489 7.138 0.654 1.00 31.34 H new ATOM 0 HG LEU A 119 -4.920 6.646 2.426 1.00 40.23 H new ATOM 0 HD11 LEU A 119 -3.275 6.283 4.249 1.00 43.14 H new ATOM 0 HD12 LEU A 119 -3.108 5.080 2.947 1.00 43.14 H new ATOM 0 HD13 LEU A 119 -1.951 6.426 3.068 1.00 43.14 H new ATOM 0 HD21 LEU A 119 -4.125 8.575 3.763 1.00 75.04 H new ATOM 0 HD22 LEU A 119 -2.852 8.877 2.557 1.00 75.04 H new ATOM 0 HD23 LEU A 119 -4.565 9.046 2.104 1.00 75.04 H new ATOM 1943 N VAL A 120 -3.971 6.030 -2.122 1.00 44.02 N ATOM 1944 CA VAL A 120 -3.381 5.584 -3.406 1.00 21.14 C ATOM 1945 C VAL A 120 -3.997 6.324 -4.632 1.00 41.13 C ATOM 1946 O VAL A 120 -3.262 6.759 -5.530 1.00 62.41 O ATOM 1947 CB VAL A 120 -3.516 4.021 -3.556 1.00 71.22 C ATOM 1948 CG1 VAL A 120 -2.961 3.520 -4.908 1.00 54.02 C ATOM 1949 CG2 VAL A 120 -2.809 3.300 -2.380 1.00 33.03 C ATOM 0 H VAL A 120 -4.447 5.285 -1.613 1.00 44.02 H new ATOM 0 HA VAL A 120 -2.323 5.844 -3.388 1.00 21.14 H new ATOM 0 HB VAL A 120 -4.579 3.782 -3.531 1.00 71.22 H new ATOM 0 HG11 VAL A 120 -3.074 2.438 -4.969 1.00 54.02 H new ATOM 0 HG12 VAL A 120 -3.511 3.989 -5.724 1.00 54.02 H new ATOM 0 HG13 VAL A 120 -1.905 3.779 -4.987 1.00 54.02 H new ATOM 0 HG21 VAL A 120 -2.912 2.222 -2.500 1.00 33.03 H new ATOM 0 HG22 VAL A 120 -1.752 3.565 -2.374 1.00 33.03 H new ATOM 0 HG23 VAL A 120 -3.265 3.606 -1.439 1.00 33.03 H new ATOM 1959 N ASN A 121 -5.335 6.503 -4.640 1.00 41.43 N ATOM 1960 CA ASN A 121 -6.045 7.219 -5.743 1.00 71.23 C ATOM 1961 C ASN A 121 -6.020 8.766 -5.588 1.00 35.23 C ATOM 1962 O ASN A 121 -6.563 9.476 -6.442 1.00 2.44 O ATOM 1963 CB ASN A 121 -7.506 6.717 -5.895 1.00 12.35 C ATOM 1964 CG ASN A 121 -7.580 5.247 -6.309 1.00 41.41 C ATOM 1965 OD1 ASN A 121 -7.487 4.911 -7.486 1.00 53.31 O ATOM 1966 ND2 ASN A 121 -7.761 4.366 -5.359 1.00 4.10 N ATOM 0 H ASN A 121 -5.952 6.166 -3.901 1.00 41.43 H new ATOM 0 HA ASN A 121 -5.492 6.983 -6.652 1.00 71.23 H new ATOM 0 HB2 ASN A 121 -8.033 6.852 -4.951 1.00 12.35 H new ATOM 0 HB3 ASN A 121 -8.021 7.327 -6.638 1.00 12.35 H new ATOM 0 HD21 ASN A 121 -7.828 3.375 -5.589 1.00 4.10 H new ATOM 0 HD22 ASN A 121 -7.835 4.671 -4.388 1.00 4.10 H new ATOM 1973 N SER A 122 -5.393 9.285 -4.510 1.00 65.00 N ATOM 1974 CA SER A 122 -5.197 10.741 -4.313 1.00 73.02 C ATOM 1975 C SER A 122 -4.228 11.341 -5.362 1.00 63.14 C ATOM 1976 O SER A 122 -3.391 10.627 -5.944 1.00 12.32 O ATOM 1977 CB SER A 122 -4.665 11.015 -2.882 1.00 13.03 C ATOM 1978 OG SER A 122 -4.445 12.394 -2.657 1.00 62.43 O ATOM 0 H SER A 122 -5.011 8.713 -3.757 1.00 65.00 H new ATOM 0 HA SER A 122 -6.165 11.225 -4.443 1.00 73.02 H new ATOM 0 HB2 SER A 122 -5.379 10.637 -2.150 1.00 13.03 H new ATOM 0 HB3 SER A 122 -3.734 10.469 -2.730 1.00 13.03 H new ATOM 0 HG SER A 122 -4.112 12.528 -1.745 1.00 62.43 H new ATOM 1984 N GLN A 123 -4.342 12.672 -5.561 1.00 34.50 N ATOM 1985 CA GLN A 123 -3.480 13.445 -6.488 1.00 13.43 C ATOM 1986 C GLN A 123 -2.007 13.438 -5.999 1.00 61.23 C ATOM 1987 O GLN A 123 -1.072 13.578 -6.795 1.00 14.43 O ATOM 1988 CB GLN A 123 -3.982 14.922 -6.635 1.00 51.14 C ATOM 1989 CG GLN A 123 -3.737 15.866 -5.414 1.00 1.50 C ATOM 1990 CD GLN A 123 -4.782 15.805 -4.284 1.00 10.31 C ATOM 1991 OE1 GLN A 123 -5.466 14.813 -4.072 1.00 23.32 O ATOM 1992 NE2 GLN A 123 -4.875 16.870 -3.514 1.00 23.22 N ATOM 0 H GLN A 123 -5.037 13.245 -5.082 1.00 34.50 H new ATOM 0 HA GLN A 123 -3.535 12.964 -7.465 1.00 13.43 H new ATOM 0 HB2 GLN A 123 -3.499 15.361 -7.508 1.00 51.14 H new ATOM 0 HB3 GLN A 123 -5.052 14.900 -6.840 1.00 51.14 H new ATOM 0 HG2 GLN A 123 -2.761 15.631 -4.990 1.00 1.50 H new ATOM 0 HG3 GLN A 123 -3.687 16.892 -5.779 1.00 1.50 H new ATOM 0 HE21 GLN A 123 -4.298 17.689 -3.704 1.00 23.22 H new ATOM 0 HE22 GLN A 123 -5.524 16.876 -2.727 1.00 23.22 H new ATOM 2001 N GLU A 124 -1.841 13.266 -4.668 1.00 50.53 N ATOM 2002 CA GLU A 124 -0.530 13.243 -3.992 1.00 12.40 C ATOM 2003 C GLU A 124 0.343 12.061 -4.478 1.00 71.23 C ATOM 2004 O GLU A 124 1.505 12.244 -4.811 1.00 4.41 O ATOM 2005 CB GLU A 124 -0.737 13.155 -2.461 1.00 20.00 C ATOM 2006 CG GLU A 124 -1.626 14.263 -1.854 1.00 54.12 C ATOM 2007 CD GLU A 124 -1.036 15.671 -2.016 1.00 4.15 C ATOM 2008 OE1 GLU A 124 0.027 15.941 -1.416 1.00 32.41 O ATOM 2009 OE2 GLU A 124 -1.625 16.518 -2.725 1.00 12.50 O ATOM 0 H GLU A 124 -2.625 13.138 -4.028 1.00 50.53 H new ATOM 0 HA GLU A 124 -0.005 14.165 -4.241 1.00 12.40 H new ATOM 0 HB2 GLU A 124 -1.179 12.187 -2.225 1.00 20.00 H new ATOM 0 HB3 GLU A 124 0.239 13.187 -1.976 1.00 20.00 H new ATOM 0 HG2 GLU A 124 -2.608 14.231 -2.327 1.00 54.12 H new ATOM 0 HG3 GLU A 124 -1.776 14.059 -0.794 1.00 54.12 H new ATOM 2016 N TYR A 125 -0.233 10.842 -4.519 1.00 22.24 N ATOM 2017 CA TYR A 125 0.471 9.653 -5.069 1.00 32.11 C ATOM 2018 C TYR A 125 0.654 9.806 -6.593 1.00 51.13 C ATOM 2019 O TYR A 125 1.744 9.574 -7.141 1.00 73.43 O ATOM 2020 CB TYR A 125 -0.320 8.335 -4.762 1.00 53.04 C ATOM 2021 CG TYR A 125 0.410 7.029 -5.180 1.00 35.14 C ATOM 2022 CD1 TYR A 125 0.429 6.588 -6.513 1.00 21.24 C ATOM 2023 CD2 TYR A 125 1.098 6.251 -4.245 1.00 43.10 C ATOM 2024 CE1 TYR A 125 1.100 5.442 -6.887 1.00 51.42 C ATOM 2025 CE2 TYR A 125 1.770 5.101 -4.622 1.00 41.03 C ATOM 2026 CZ TYR A 125 1.770 4.702 -5.943 1.00 4.33 C ATOM 2027 OH TYR A 125 2.447 3.556 -6.321 1.00 73.22 O ATOM 0 H TYR A 125 -1.176 10.650 -4.182 1.00 22.24 H new ATOM 0 HA TYR A 125 1.447 9.587 -4.589 1.00 32.11 H new ATOM 0 HB2 TYR A 125 -0.528 8.293 -3.693 1.00 53.04 H new ATOM 0 HB3 TYR A 125 -1.282 8.377 -5.273 1.00 53.04 H new ATOM 0 HD1 TYR A 125 -0.095 7.160 -7.264 1.00 21.24 H new ATOM 0 HD2 TYR A 125 1.106 6.553 -3.208 1.00 43.10 H new ATOM 0 HE1 TYR A 125 1.099 5.127 -7.920 1.00 51.42 H new ATOM 0 HE2 TYR A 125 2.295 4.516 -3.882 1.00 41.03 H new ATOM 0 HH TYR A 125 3.131 3.784 -6.985 1.00 73.22 H new ATOM 2037 N ASN A 126 -0.444 10.210 -7.246 1.00 45.42 N ATOM 2038 CA ASN A 126 -0.606 10.144 -8.707 1.00 11.43 C ATOM 2039 C ASN A 126 0.430 11.033 -9.458 1.00 40.43 C ATOM 2040 O ASN A 126 1.123 10.557 -10.360 1.00 72.42 O ATOM 2041 CB ASN A 126 -2.065 10.546 -9.070 1.00 42.14 C ATOM 2042 CG ASN A 126 -2.544 10.006 -10.419 1.00 13.12 C ATOM 2043 OD1 ASN A 126 -2.143 8.927 -10.849 1.00 24.54 O ATOM 2044 ND2 ASN A 126 -3.435 10.721 -11.076 1.00 74.05 N ATOM 0 H ASN A 126 -1.257 10.598 -6.768 1.00 45.42 H new ATOM 0 HA ASN A 126 -0.416 9.121 -9.032 1.00 11.43 H new ATOM 0 HB2 ASN A 126 -2.735 10.187 -8.288 1.00 42.14 H new ATOM 0 HB3 ASN A 126 -2.139 11.633 -9.079 1.00 42.14 H new ATOM 0 HD21 ASN A 126 -3.808 10.382 -11.963 1.00 74.05 H new ATOM 0 HD22 ASN A 126 -3.752 11.614 -10.698 1.00 74.05 H new ATOM 2051 N GLU A 127 0.522 12.320 -9.070 1.00 12.01 N ATOM 2052 CA GLU A 127 1.420 13.311 -9.722 1.00 64.41 C ATOM 2053 C GLU A 127 2.897 13.230 -9.228 1.00 42.55 C ATOM 2054 O GLU A 127 3.828 13.319 -10.041 1.00 71.23 O ATOM 2055 CB GLU A 127 0.848 14.740 -9.507 1.00 34.40 C ATOM 2056 CG GLU A 127 -0.578 14.936 -10.064 1.00 61.44 C ATOM 2057 CD GLU A 127 -1.112 16.368 -9.880 1.00 41.33 C ATOM 2058 OE1 GLU A 127 -0.800 17.241 -10.722 1.00 15.13 O ATOM 2059 OE2 GLU A 127 -1.843 16.634 -8.901 1.00 11.12 O ATOM 0 H GLU A 127 -0.020 12.708 -8.298 1.00 12.01 H new ATOM 0 HA GLU A 127 1.449 13.071 -10.785 1.00 64.41 H new ATOM 0 HB2 GLU A 127 0.844 14.962 -8.440 1.00 34.40 H new ATOM 0 HB3 GLU A 127 1.514 15.462 -9.980 1.00 34.40 H new ATOM 0 HG2 GLU A 127 -0.583 14.687 -11.125 1.00 61.44 H new ATOM 0 HG3 GLU A 127 -1.253 14.238 -9.569 1.00 61.44 H new ATOM 2066 N VAL A 128 3.102 13.074 -7.900 1.00 65.44 N ATOM 2067 CA VAL A 128 4.462 13.044 -7.278 1.00 24.43 C ATOM 2068 C VAL A 128 5.290 11.801 -7.716 1.00 44.55 C ATOM 2069 O VAL A 128 6.452 11.927 -8.124 1.00 60.20 O ATOM 2070 CB VAL A 128 4.362 13.116 -5.700 1.00 73.20 C ATOM 2071 CG1 VAL A 128 5.734 12.920 -4.998 1.00 5.33 C ATOM 2072 CG2 VAL A 128 3.704 14.450 -5.254 1.00 22.15 C ATOM 0 H VAL A 128 2.342 12.966 -7.228 1.00 65.44 H new ATOM 0 HA VAL A 128 4.992 13.926 -7.639 1.00 24.43 H new ATOM 0 HB VAL A 128 3.730 12.285 -5.388 1.00 73.20 H new ATOM 0 HG11 VAL A 128 5.602 12.980 -3.918 1.00 5.33 H new ATOM 0 HG12 VAL A 128 6.141 11.943 -5.260 1.00 5.33 H new ATOM 0 HG13 VAL A 128 6.423 13.699 -5.323 1.00 5.33 H new ATOM 0 HG21 VAL A 128 3.644 14.480 -4.166 1.00 22.15 H new ATOM 0 HG22 VAL A 128 4.304 15.288 -5.608 1.00 22.15 H new ATOM 0 HG23 VAL A 128 2.701 14.519 -5.674 1.00 22.15 H new ATOM 2082 N PHE A 129 4.682 10.602 -7.629 1.00 74.53 N ATOM 2083 CA PHE A 129 5.371 9.330 -7.967 1.00 11.41 C ATOM 2084 C PHE A 129 5.064 8.897 -9.417 1.00 71.35 C ATOM 2085 O PHE A 129 5.977 8.676 -10.223 1.00 14.32 O ATOM 2086 CB PHE A 129 4.960 8.204 -6.975 1.00 53.31 C ATOM 2087 CG PHE A 129 5.092 8.604 -5.507 1.00 34.53 C ATOM 2088 CD1 PHE A 129 6.310 9.035 -4.989 1.00 65.54 C ATOM 2089 CD2 PHE A 129 3.994 8.570 -4.651 1.00 54.34 C ATOM 2090 CE1 PHE A 129 6.419 9.414 -3.667 1.00 54.44 C ATOM 2091 CE2 PHE A 129 4.109 8.950 -3.334 1.00 41.13 C ATOM 2092 CZ PHE A 129 5.323 9.372 -2.841 1.00 41.33 C ATOM 0 H PHE A 129 3.715 10.482 -7.328 1.00 74.53 H new ATOM 0 HA PHE A 129 6.444 9.501 -7.881 1.00 11.41 H new ATOM 0 HB2 PHE A 129 3.928 7.916 -7.173 1.00 53.31 H new ATOM 0 HB3 PHE A 129 5.577 7.325 -7.160 1.00 53.31 H new ATOM 0 HD1 PHE A 129 7.179 9.073 -5.629 1.00 65.54 H new ATOM 0 HD2 PHE A 129 3.037 8.240 -5.027 1.00 54.34 H new ATOM 0 HE1 PHE A 129 7.371 9.745 -3.280 1.00 54.44 H new ATOM 0 HE2 PHE A 129 3.246 8.917 -2.686 1.00 41.13 H new ATOM 0 HZ PHE A 129 5.413 9.669 -1.807 1.00 41.33 H new ATOM 2102 N GLY A 130 3.761 8.804 -9.738 1.00 35.24 N ATOM 2103 CA GLY A 130 3.297 8.225 -11.007 1.00 22.42 C ATOM 2104 C GLY A 130 2.744 6.813 -10.812 1.00 32.12 C ATOM 2105 O GLY A 130 3.264 6.049 -9.989 1.00 23.05 O ATOM 0 H GLY A 130 3.008 9.125 -9.130 1.00 35.24 H new ATOM 0 HA2 GLY A 130 2.525 8.863 -11.438 1.00 22.42 H new ATOM 0 HA3 GLY A 130 4.122 8.198 -11.719 1.00 22.42 H new ATOM 2109 N GLU A 131 1.694 6.457 -11.575 1.00 14.23 N ATOM 2110 CA GLU A 131 1.014 5.147 -11.446 1.00 73.44 C ATOM 2111 C GLU A 131 1.836 3.982 -12.054 1.00 5.43 C ATOM 2112 O GLU A 131 1.608 2.816 -11.726 1.00 14.41 O ATOM 2113 CB GLU A 131 -0.408 5.222 -12.063 1.00 22.12 C ATOM 2114 CG GLU A 131 -0.476 5.515 -13.575 1.00 42.21 C ATOM 2115 CD GLU A 131 -1.922 5.730 -14.069 1.00 24.11 C ATOM 2116 OE1 GLU A 131 -2.744 4.790 -13.957 1.00 34.13 O ATOM 2117 OE2 GLU A 131 -2.251 6.836 -14.546 1.00 62.42 O ATOM 0 H GLU A 131 1.293 7.060 -12.293 1.00 14.23 H new ATOM 0 HA GLU A 131 0.925 4.927 -10.382 1.00 73.44 H new ATOM 0 HB2 GLU A 131 -0.915 4.276 -11.874 1.00 22.12 H new ATOM 0 HB3 GLU A 131 -0.970 5.995 -11.538 1.00 22.12 H new ATOM 0 HG2 GLU A 131 0.116 6.403 -13.797 1.00 42.21 H new ATOM 0 HG3 GLU A 131 -0.027 4.687 -14.123 1.00 42.21 H new ATOM 2124 N ASP A 132 2.791 4.319 -12.937 1.00 1.14 N ATOM 2125 CA ASP A 132 3.763 3.352 -13.509 1.00 2.32 C ATOM 2126 C ASP A 132 4.956 3.097 -12.550 1.00 20.11 C ATOM 2127 O ASP A 132 5.784 2.215 -12.811 1.00 13.32 O ATOM 2128 CB ASP A 132 4.307 3.900 -14.852 1.00 73.13 C ATOM 2129 CG ASP A 132 3.199 4.220 -15.865 1.00 52.15 C ATOM 2130 OD1 ASP A 132 2.578 5.299 -15.756 1.00 5.21 O ATOM 2131 OD2 ASP A 132 2.943 3.403 -16.773 1.00 71.43 O ATOM 0 H ASP A 132 2.917 5.271 -13.280 1.00 1.14 H new ATOM 0 HA ASP A 132 3.240 2.408 -13.662 1.00 2.32 H new ATOM 0 HB2 ASP A 132 4.888 4.802 -14.661 1.00 73.13 H new ATOM 0 HB3 ASP A 132 4.988 3.169 -15.287 1.00 73.13 H new ATOM 2136 N THR A 133 5.028 3.863 -11.441 1.00 72.24 N ATOM 2137 CA THR A 133 6.224 3.931 -10.574 1.00 62.43 C ATOM 2138 C THR A 133 5.946 3.393 -9.148 1.00 54.31 C ATOM 2139 O THR A 133 4.819 3.489 -8.642 1.00 52.35 O ATOM 2140 CB THR A 133 6.721 5.422 -10.471 1.00 14.21 C ATOM 2141 OG1 THR A 133 6.754 6.030 -11.780 1.00 54.40 O ATOM 2142 CG2 THR A 133 8.119 5.532 -9.847 1.00 5.34 C ATOM 0 H THR A 133 4.259 4.452 -11.121 1.00 72.24 H new ATOM 0 HA THR A 133 6.989 3.302 -11.028 1.00 62.43 H new ATOM 0 HB THR A 133 6.014 5.941 -9.824 1.00 14.21 H new ATOM 0 HG1 THR A 133 6.565 6.988 -11.700 1.00 54.40 H new ATOM 0 HG21 THR A 133 8.415 6.580 -9.799 1.00 5.34 H new ATOM 0 HG22 THR A 133 8.102 5.113 -8.841 1.00 5.34 H new ATOM 0 HG23 THR A 133 8.834 4.981 -10.458 1.00 5.34 H new ATOM 2150 N VAL A 134 6.997 2.827 -8.515 1.00 12.53 N ATOM 2151 CA VAL A 134 7.020 2.528 -7.061 1.00 35.24 C ATOM 2152 C VAL A 134 6.905 3.858 -6.252 1.00 61.22 C ATOM 2153 O VAL A 134 7.469 4.869 -6.684 1.00 14.40 O ATOM 2154 CB VAL A 134 8.369 1.773 -6.700 1.00 21.32 C ATOM 2155 CG1 VAL A 134 8.646 1.688 -5.176 1.00 61.12 C ATOM 2156 CG2 VAL A 134 8.392 0.362 -7.329 1.00 40.12 C ATOM 0 H VAL A 134 7.856 2.563 -8.997 1.00 12.53 H new ATOM 0 HA VAL A 134 6.177 1.888 -6.802 1.00 35.24 H new ATOM 0 HB VAL A 134 9.172 2.375 -7.125 1.00 21.32 H new ATOM 0 HG11 VAL A 134 9.584 1.159 -5.006 1.00 61.12 H new ATOM 0 HG12 VAL A 134 8.716 2.694 -4.762 1.00 61.12 H new ATOM 0 HG13 VAL A 134 7.833 1.151 -4.688 1.00 61.12 H new ATOM 0 HG21 VAL A 134 9.325 -0.137 -7.069 1.00 40.12 H new ATOM 0 HG22 VAL A 134 7.552 -0.219 -6.950 1.00 40.12 H new ATOM 0 HG23 VAL A 134 8.315 0.446 -8.413 1.00 40.12 H new ATOM 2166 N PRO A 135 6.153 3.897 -5.097 1.00 35.20 N ATOM 2167 CA PRO A 135 6.088 5.100 -4.223 1.00 41.12 C ATOM 2168 C PRO A 135 7.453 5.436 -3.562 1.00 21.14 C ATOM 2169 O PRO A 135 7.698 5.135 -2.384 1.00 20.13 O ATOM 2170 CB PRO A 135 5.006 4.726 -3.170 1.00 1.24 C ATOM 2171 CG PRO A 135 4.992 3.226 -3.160 1.00 1.31 C ATOM 2172 CD PRO A 135 5.283 2.808 -4.583 1.00 24.24 C ATOM 0 HA PRO A 135 5.842 6.003 -4.782 1.00 41.12 H new ATOM 0 HB2 PRO A 135 5.254 5.127 -2.187 1.00 1.24 H new ATOM 0 HB3 PRO A 135 4.031 5.130 -3.442 1.00 1.24 H new ATOM 0 HG2 PRO A 135 5.742 2.831 -2.474 1.00 1.31 H new ATOM 0 HG3 PRO A 135 4.026 2.845 -2.829 1.00 1.31 H new ATOM 0 HD2 PRO A 135 5.785 1.841 -4.622 1.00 24.24 H new ATOM 0 HD3 PRO A 135 4.368 2.716 -5.169 1.00 24.24 H new ATOM 2180 N TYR A 136 8.350 6.039 -4.362 1.00 51.24 N ATOM 2181 CA TYR A 136 9.668 6.492 -3.901 1.00 52.41 C ATOM 2182 C TYR A 136 9.488 7.802 -3.098 1.00 30.31 C ATOM 2183 O TYR A 136 9.497 8.894 -3.662 1.00 72.04 O ATOM 2184 CB TYR A 136 10.668 6.629 -5.114 1.00 14.53 C ATOM 2185 CG TYR A 136 10.366 7.739 -6.163 1.00 72.43 C ATOM 2186 CD1 TYR A 136 9.247 7.677 -7.000 1.00 20.42 C ATOM 2187 CD2 TYR A 136 11.205 8.857 -6.299 1.00 14.44 C ATOM 2188 CE1 TYR A 136 8.975 8.681 -7.915 1.00 73.10 C ATOM 2189 CE2 TYR A 136 10.934 9.856 -7.218 1.00 14.04 C ATOM 2190 CZ TYR A 136 9.817 9.767 -8.020 1.00 53.23 C ATOM 2191 OH TYR A 136 9.534 10.776 -8.922 1.00 61.34 O ATOM 0 H TYR A 136 8.177 6.225 -5.350 1.00 51.24 H new ATOM 0 HA TYR A 136 10.117 5.754 -3.236 1.00 52.41 H new ATOM 0 HB2 TYR A 136 11.665 6.807 -4.711 1.00 14.53 H new ATOM 0 HB3 TYR A 136 10.701 5.672 -5.635 1.00 14.53 H new ATOM 0 HD1 TYR A 136 8.582 6.829 -6.932 1.00 20.42 H new ATOM 0 HD2 TYR A 136 12.081 8.939 -5.673 1.00 14.44 H new ATOM 0 HE1 TYR A 136 8.102 8.613 -8.547 1.00 73.10 H new ATOM 0 HE2 TYR A 136 11.597 10.704 -7.306 1.00 14.04 H new ATOM 0 HH TYR A 136 10.227 11.467 -8.868 1.00 61.34 H new