USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 16 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -165:sc= 1.12 (180deg=0.508) USER MOD Single : A 5 GLN : amide:sc= 1.23 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.02 USER MOD Single : A 15 MET CE :methyl 173:sc= -0.746 (180deg=-1.02) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.189 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 167:sc= -2.27! (180deg=-2.85!) USER MOD Single : A 40 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.551 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.617 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.154 (180deg=-0.482) USER MOD Single : A 59 HIS : no HD1:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 77 THR OG1 : rot 22:sc= 0.00268 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 81 TYR OH : rot 23:sc= 1.29 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.339 10.399 14.762 1.00 1.75 N ATOM 2 CA ARG A 1 -12.548 8.927 14.843 1.00 1.74 C ATOM 3 C ARG A 1 -13.927 8.485 14.343 1.00 1.77 C ATOM 4 O ARG A 1 -14.039 7.703 13.390 1.00 1.74 O ATOM 5 CB ARG A 1 -12.215 8.405 16.262 1.00 1.77 C ATOM 6 CG ARG A 1 -12.208 6.869 16.396 1.00 1.77 C ATOM 7 CD ARG A 1 -13.529 6.314 16.951 1.00 1.83 C ATOM 8 NE ARG A 1 -13.532 4.844 16.952 1.00 1.84 N ATOM 9 CZ ARG A 1 -13.122 4.016 17.889 1.00 1.86 C ATOM 10 NH1 ARG A 1 -12.619 4.419 19.021 1.00 1.89 N ATOM 11 NH2 ARG A 1 -13.223 2.740 17.675 1.00 1.87 N ATOM 0 H1 ARG A 1 -11.326 10.612 14.867 1.00 1.75 H new ATOM 0 H2 ARG A 1 -12.672 10.747 13.840 1.00 1.75 H new ATOM 0 H3 ARG A 1 -12.872 10.868 15.522 1.00 1.75 H new ATOM 0 HA ARG A 1 -11.846 8.459 14.153 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -11.237 8.787 16.555 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -12.940 8.815 16.965 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -12.014 6.425 15.420 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -11.390 6.570 17.051 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -13.682 6.681 17.966 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -14.361 6.681 16.350 1.00 1.83 H new ATOM 0 HE ARG A 1 -13.903 4.405 16.110 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -12.529 5.417 19.213 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -12.315 3.737 19.716 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -13.613 2.400 16.796 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -12.912 2.078 18.386 1.00 1.87 H new ATOM 27 N ALA A 2 -14.989 8.946 15.010 1.00 1.84 N ATOM 28 CA ALA A 2 -16.342 8.427 14.784 1.00 1.89 C ATOM 29 C ALA A 2 -16.885 8.716 13.374 1.00 1.88 C ATOM 30 O ALA A 2 -17.533 7.861 12.777 1.00 1.89 O ATOM 31 CB ALA A 2 -17.267 8.991 15.868 1.00 1.97 C ATOM 0 H ALA A 2 -14.937 9.682 15.715 1.00 1.84 H new ATOM 0 HA ALA A 2 -16.301 7.340 14.850 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -18.279 8.615 15.715 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -16.909 8.680 16.850 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -17.272 10.080 15.812 1.00 1.97 H new ATOM 37 N ASP A 3 -16.576 9.889 12.818 1.00 1.87 N ATOM 38 CA ASP A 3 -17.010 10.256 11.464 1.00 1.88 C ATOM 39 C ASP A 3 -16.240 9.506 10.362 1.00 1.81 C ATOM 40 O ASP A 3 -16.832 9.176 9.336 1.00 1.82 O ATOM 41 CB ASP A 3 -16.852 11.773 11.297 1.00 1.90 C ATOM 42 CG ASP A 3 -17.479 12.282 9.988 1.00 1.92 C ATOM 43 OD1 ASP A 3 -18.725 12.218 9.851 1.00 1.98 O ATOM 44 OD2 ASP A 3 -16.737 12.792 9.116 1.00 1.89 O ATOM 0 H ASP A 3 -16.023 10.607 13.286 1.00 1.87 H new ATOM 0 HA ASP A 3 -18.054 9.964 11.351 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -17.317 12.280 12.142 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -15.793 12.030 11.315 1.00 1.90 H new ATOM 49 N GLU A 4 -14.966 9.155 10.599 1.00 1.74 N ATOM 50 CA GLU A 4 -14.209 8.320 9.655 1.00 1.68 C ATOM 51 C GLU A 4 -14.802 6.913 9.644 1.00 1.69 C ATOM 52 O GLU A 4 -15.098 6.367 8.582 1.00 1.68 O ATOM 53 CB GLU A 4 -12.725 8.247 10.042 1.00 1.62 C ATOM 54 CG GLU A 4 -12.019 9.610 10.109 1.00 1.61 C ATOM 55 CD GLU A 4 -11.978 10.148 11.549 1.00 1.65 C ATOM 56 OE1 GLU A 4 -13.020 10.593 12.087 1.00 1.71 O ATOM 57 OE2 GLU A 4 -10.911 10.080 12.200 1.00 1.62 O ATOM 0 H GLU A 4 -14.443 9.434 11.429 1.00 1.74 H new ATOM 0 HA GLU A 4 -14.280 8.768 8.664 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -12.639 7.759 11.013 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -12.204 7.617 9.321 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -11.003 9.515 9.725 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -12.537 10.322 9.467 1.00 1.61 H new ATOM 64 N GLN A 5 -15.073 6.354 10.832 1.00 1.72 N ATOM 65 CA GLN A 5 -15.737 5.054 10.916 1.00 1.75 C ATOM 66 C GLN A 5 -17.129 5.070 10.260 1.00 1.81 C ATOM 67 O GLN A 5 -17.413 4.210 9.428 1.00 1.81 O ATOM 68 CB GLN A 5 -15.782 4.523 12.355 1.00 1.78 C ATOM 69 CG GLN A 5 -14.384 4.092 12.843 1.00 1.73 C ATOM 70 CD GLN A 5 -14.449 2.882 13.771 1.00 1.77 C ATOM 71 OE1 GLN A 5 -14.323 2.978 14.985 1.00 1.80 O ATOM 72 NE2 GLN A 5 -14.652 1.695 13.242 1.00 1.77 N ATOM 0 H GLN A 5 -14.845 6.777 11.732 1.00 1.72 H new ATOM 0 HA GLN A 5 -15.130 4.354 10.342 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -16.177 5.294 13.016 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -16.465 3.675 12.410 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -13.757 3.856 11.983 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -13.910 4.924 13.364 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -14.759 1.598 12.232 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -14.702 0.871 13.842 1.00 1.77 H new ATOM 81 N ALA A 6 -17.961 6.079 10.528 1.00 1.86 N ATOM 82 CA ALA A 6 -19.254 6.239 9.860 1.00 1.92 C ATOM 83 C ALA A 6 -19.114 6.312 8.327 1.00 1.90 C ATOM 84 O ALA A 6 -19.777 5.553 7.609 1.00 1.92 O ATOM 85 CB ALA A 6 -19.956 7.479 10.428 1.00 1.98 C ATOM 0 H ALA A 6 -17.758 6.807 11.213 1.00 1.86 H new ATOM 0 HA ALA A 6 -19.864 5.358 10.059 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -20.921 7.608 9.937 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -20.108 7.352 11.500 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -19.339 8.360 10.251 1.00 1.98 H new ATOM 91 N PHE A 7 -18.201 7.141 7.804 1.00 1.85 N ATOM 92 CA PHE A 7 -17.991 7.246 6.359 1.00 1.83 C ATOM 93 C PHE A 7 -17.236 6.050 5.753 1.00 1.77 C ATOM 94 O PHE A 7 -17.352 5.834 4.541 1.00 1.78 O ATOM 95 CB PHE A 7 -17.448 8.635 5.963 1.00 1.82 C ATOM 96 CG PHE A 7 -15.952 8.932 5.991 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.068 8.270 5.113 1.00 1.69 C ATOM 98 CD2 PHE A 7 -15.467 10.024 6.742 1.00 1.75 C ATOM 99 CE1 PHE A 7 -13.726 8.669 5.016 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.118 10.413 6.659 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.243 9.731 5.799 1.00 1.63 C ATOM 0 H PHE A 7 -17.598 7.747 8.361 1.00 1.85 H new ATOM 0 HA PHE A 7 -18.971 7.174 5.887 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -17.794 8.836 4.949 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -17.930 9.364 6.615 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.427 7.449 4.510 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.140 10.568 7.388 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.061 8.157 4.336 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -13.755 11.236 7.257 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.204 10.021 5.739 1.00 1.63 H new ATOM 111 N LEU A 8 -16.588 5.195 6.568 1.00 1.73 N ATOM 112 CA LEU A 8 -16.033 3.954 6.004 1.00 1.69 C ATOM 113 C LEU A 8 -17.020 2.785 6.135 1.00 1.75 C ATOM 114 O LEU A 8 -16.871 1.794 5.427 1.00 1.73 O ATOM 115 CB LEU A 8 -14.674 3.637 6.660 1.00 1.63 C ATOM 116 CG LEU A 8 -13.478 3.666 5.696 1.00 1.56 C ATOM 117 CD1 LEU A 8 -13.474 2.418 4.822 1.00 1.55 C ATOM 118 CD2 LEU A 8 -13.390 4.928 4.832 1.00 1.55 C ATOM 0 H LEU A 8 -16.441 5.330 7.568 1.00 1.73 H new ATOM 0 HA LEU A 8 -15.868 4.102 4.937 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -14.496 4.354 7.461 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -14.729 2.651 7.121 1.00 1.63 H new ATOM 0 HG LEU A 8 -12.589 3.684 6.327 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -12.621 2.452 4.144 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -13.401 1.532 5.453 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -14.397 2.376 4.243 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -12.517 4.864 4.182 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.290 5.016 4.223 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.300 5.804 5.475 1.00 1.55 H new ATOM 130 N VAL A 9 -18.057 2.899 6.979 1.00 1.81 N ATOM 131 CA VAL A 9 -19.195 1.958 6.956 1.00 1.87 C ATOM 132 C VAL A 9 -20.083 2.268 5.742 1.00 1.92 C ATOM 133 O VAL A 9 -20.535 1.352 5.046 1.00 1.94 O ATOM 134 CB VAL A 9 -19.985 2.001 8.281 1.00 1.93 C ATOM 135 CG1 VAL A 9 -21.335 1.271 8.208 1.00 2.01 C ATOM 136 CG2 VAL A 9 -19.174 1.325 9.396 1.00 1.91 C ATOM 0 H VAL A 9 -18.134 3.631 7.686 1.00 1.81 H new ATOM 0 HA VAL A 9 -18.820 0.939 6.858 1.00 1.87 H new ATOM 0 HB VAL A 9 -20.166 3.057 8.482 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -21.838 1.340 9.172 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -21.957 1.732 7.440 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.169 0.223 7.959 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -19.738 1.359 10.328 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -18.981 0.287 9.127 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -18.227 1.849 9.526 1.00 1.91 H new ATOM 146 N ALA A 10 -20.258 3.552 5.417 1.00 1.93 N ATOM 147 CA ALA A 10 -20.894 3.962 4.165 1.00 1.97 C ATOM 148 C ALA A 10 -20.092 3.506 2.931 1.00 1.92 C ATOM 149 O ALA A 10 -20.679 2.923 2.009 1.00 1.96 O ATOM 150 CB ALA A 10 -21.089 5.483 4.187 1.00 1.99 C ATOM 0 H ALA A 10 -19.965 4.329 6.009 1.00 1.93 H new ATOM 0 HA ALA A 10 -21.866 3.474 4.084 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.563 5.803 3.259 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -21.723 5.756 5.031 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.120 5.973 4.287 1.00 1.99 H new ATOM 156 N LEU A 11 -18.755 3.682 2.929 1.00 1.84 N ATOM 157 CA LEU A 11 -17.922 3.066 1.889 1.00 1.80 C ATOM 158 C LEU A 11 -18.038 1.545 1.902 1.00 1.80 C ATOM 159 O LEU A 11 -18.169 0.980 0.829 1.00 1.82 O ATOM 160 CB LEU A 11 -16.442 3.469 1.971 1.00 1.71 C ATOM 161 CG LEU A 11 -15.587 2.812 0.856 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.987 3.217 -0.564 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.125 3.198 1.026 1.00 1.59 C ATOM 0 H LEU A 11 -18.244 4.232 3.619 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.313 3.451 0.947 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.359 4.553 1.897 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.044 3.184 2.945 1.00 1.71 H new ATOM 0 HG LEU A 11 -15.755 1.741 0.967 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.340 2.713 -1.282 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.023 2.931 -0.746 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.884 4.296 -0.677 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.532 2.732 0.239 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.025 4.282 0.963 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -13.769 2.857 1.998 1.00 1.59 H new ATOM 175 N TYR A 12 -18.020 0.867 3.053 1.00 1.80 N ATOM 176 CA TYR A 12 -18.153 -0.594 3.114 1.00 1.81 C ATOM 177 C TYR A 12 -19.406 -1.078 2.378 1.00 1.89 C ATOM 178 O TYR A 12 -19.303 -1.992 1.556 1.00 1.89 O ATOM 179 CB TYR A 12 -18.134 -1.093 4.566 1.00 1.82 C ATOM 180 CG TYR A 12 -18.588 -2.532 4.742 1.00 1.86 C ATOM 181 CD1 TYR A 12 -17.919 -3.576 4.074 1.00 1.84 C ATOM 182 CD2 TYR A 12 -19.727 -2.817 5.525 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.390 -4.900 4.177 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.194 -4.139 5.638 1.00 1.99 C ATOM 185 CZ TYR A 12 -19.530 -5.186 4.961 1.00 1.96 C ATOM 186 OH TYR A 12 -19.989 -6.464 5.054 1.00 2.02 O ATOM 0 H TYR A 12 -17.913 1.311 3.965 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.290 -1.021 2.603 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.122 -0.994 4.958 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -18.774 -0.447 5.168 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.042 -3.361 3.481 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.241 -2.018 6.039 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -17.879 -5.697 3.656 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.062 -4.354 6.244 1.00 1.99 H new ATOM 0 HH TYR A 12 -20.780 -6.486 5.633 1.00 2.02 H new ATOM 196 N LYS A 13 -20.556 -0.423 2.590 1.00 1.95 N ATOM 197 CA LYS A 13 -21.762 -0.702 1.799 1.00 2.03 C ATOM 198 C LYS A 13 -21.537 -0.425 0.311 1.00 2.02 C ATOM 199 O LYS A 13 -21.695 -1.353 -0.489 1.00 2.05 O ATOM 200 CB LYS A 13 -22.960 0.059 2.391 1.00 2.10 C ATOM 201 CG LYS A 13 -24.282 -0.329 1.708 1.00 2.18 C ATOM 202 CD LYS A 13 -25.503 0.401 2.293 1.00 2.25 C ATOM 203 CE LYS A 13 -25.790 -0.011 3.744 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.023 0.640 4.262 1.00 2.34 N ATOM 0 H LYS A 13 -20.676 0.300 3.299 1.00 1.95 H new ATOM 0 HA LYS A 13 -21.994 -1.765 1.859 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.029 -0.148 3.459 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -22.797 1.131 2.284 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.211 -0.109 0.643 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.430 -1.405 1.802 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.335 1.477 2.250 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.378 0.190 1.678 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -25.898 -1.094 3.801 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -24.943 0.259 4.374 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.188 0.340 5.244 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -26.910 1.673 4.230 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -27.835 0.362 3.675 1.00 2.34 H new ATOM 218 N TYR A 14 -21.114 0.784 -0.083 1.00 2.00 N ATOM 219 CA TYR A 14 -20.851 1.048 -1.504 1.00 2.00 C ATOM 220 C TYR A 14 -19.832 0.112 -2.180 1.00 1.95 C ATOM 221 O TYR A 14 -20.062 -0.324 -3.306 1.00 1.99 O ATOM 222 CB TYR A 14 -20.412 2.514 -1.635 1.00 1.98 C ATOM 223 CG TYR A 14 -20.381 3.026 -3.062 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.582 3.415 -3.686 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.163 3.106 -3.767 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.572 3.880 -5.014 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.151 3.562 -5.101 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.356 3.949 -5.727 1.00 2.09 C ATOM 229 OH TYR A 14 -20.343 4.357 -7.026 1.00 2.13 O ATOM 0 H TYR A 14 -20.950 1.574 0.541 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.779 0.846 -2.039 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.088 3.138 -1.051 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.419 2.625 -1.199 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.514 3.356 -3.143 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.240 2.818 -3.286 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.494 4.184 -5.487 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.219 3.615 -5.645 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.423 4.346 -7.363 1.00 2.13 H new ATOM 239 N MET A 15 -18.731 -0.244 -1.511 1.00 1.88 N ATOM 240 CA MET A 15 -17.691 -1.098 -2.080 1.00 1.83 C ATOM 241 C MET A 15 -18.117 -2.573 -2.116 1.00 1.86 C ATOM 242 O MET A 15 -17.770 -3.279 -3.063 1.00 1.86 O ATOM 243 CB MET A 15 -16.323 -0.839 -1.442 1.00 1.74 C ATOM 244 CG MET A 15 -16.126 -1.406 -0.036 1.00 1.72 C ATOM 245 SD MET A 15 -14.648 -0.803 0.834 1.00 1.62 S ATOM 246 CE MET A 15 -13.345 -1.054 -0.406 1.00 1.57 C ATOM 0 H MET A 15 -18.538 0.055 -0.555 1.00 1.88 H new ATOM 0 HA MET A 15 -17.563 -0.821 -3.126 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.555 -1.257 -2.093 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.158 0.238 -1.405 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.005 -1.167 0.563 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.072 -2.493 -0.103 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.414 -0.613 -0.050 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.201 -2.122 -0.571 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.637 -0.578 -1.342 1.00 1.57 H new ATOM 256 N LYS A 16 -18.954 -3.038 -1.169 1.00 1.90 N ATOM 257 CA LYS A 16 -19.607 -4.353 -1.279 1.00 1.96 C ATOM 258 C LYS A 16 -20.569 -4.398 -2.475 1.00 2.03 C ATOM 259 O LYS A 16 -20.567 -5.372 -3.225 1.00 2.05 O ATOM 260 CB LYS A 16 -20.288 -4.693 0.057 1.00 1.99 C ATOM 261 CG LYS A 16 -20.855 -6.118 0.075 1.00 2.05 C ATOM 262 CD LYS A 16 -21.048 -6.611 1.516 1.00 2.07 C ATOM 263 CE LYS A 16 -21.662 -8.014 1.518 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.543 -8.648 2.853 1.00 2.15 N ATOM 0 H LYS A 16 -19.192 -2.523 -0.322 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.859 -5.121 -1.476 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.569 -4.580 0.868 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.093 -3.982 0.244 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.808 -6.141 -0.453 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.180 -6.789 -0.456 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.089 -6.625 2.035 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.695 -5.922 2.060 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.712 -7.955 1.233 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.163 -8.633 0.772 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.137 -9.501 2.887 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.551 -8.910 3.026 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -21.857 -7.979 3.584 1.00 2.15 H new ATOM 278 N GLU A 17 -21.279 -3.298 -2.735 1.00 2.07 N ATOM 279 CA GLU A 17 -22.065 -3.123 -3.977 1.00 2.13 C ATOM 280 C GLU A 17 -21.188 -2.905 -5.244 1.00 2.10 C ATOM 281 O GLU A 17 -21.712 -2.770 -6.353 1.00 2.16 O ATOM 282 CB GLU A 17 -23.065 -1.971 -3.751 1.00 2.18 C ATOM 283 CG GLU A 17 -24.279 -2.002 -4.689 1.00 2.27 C ATOM 284 CD GLU A 17 -25.326 -0.950 -4.275 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.257 0.206 -4.758 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.237 -1.276 -3.475 1.00 2.37 O ATOM 0 H GLU A 17 -21.331 -2.502 -2.099 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.602 -4.049 -4.183 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.415 -2.006 -2.719 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.544 -1.022 -3.879 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.956 -1.815 -5.713 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.730 -2.994 -4.673 1.00 2.27 H new ATOM 293 N ARG A 18 -19.853 -2.892 -5.093 1.00 2.02 N ATOM 294 CA ARG A 18 -18.900 -2.819 -6.228 1.00 1.99 C ATOM 295 C ARG A 18 -17.972 -4.048 -6.296 1.00 1.95 C ATOM 296 O ARG A 18 -16.911 -3.998 -6.921 1.00 1.90 O ATOM 297 CB ARG A 18 -18.154 -1.459 -6.223 1.00 1.94 C ATOM 298 CG ARG A 18 -18.859 -0.371 -7.054 1.00 2.01 C ATOM 299 CD ARG A 18 -20.064 0.277 -6.363 1.00 2.06 C ATOM 300 NE ARG A 18 -20.839 1.105 -7.307 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.872 0.722 -8.039 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.355 -0.490 -8.007 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.445 1.569 -8.843 1.00 2.28 N ATOM 0 H ARG A 18 -19.397 -2.932 -4.181 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.466 -2.858 -7.158 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.054 -1.112 -5.195 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.146 -1.605 -6.610 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.136 0.407 -7.299 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.189 -0.808 -7.996 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.706 -0.498 -5.943 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.722 0.893 -5.531 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.547 2.077 -7.406 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.934 -1.191 -7.398 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.154 -0.736 -8.591 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.098 2.526 -8.908 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.242 1.276 -9.409 1.00 2.28 H new ATOM 317 N LYS A 19 -18.373 -5.170 -5.673 1.00 1.97 N ATOM 318 CA LYS A 19 -17.691 -6.485 -5.674 1.00 1.95 C ATOM 319 C LYS A 19 -16.306 -6.421 -5.018 1.00 1.86 C ATOM 320 O LYS A 19 -15.446 -7.277 -5.251 1.00 1.84 O ATOM 321 CB LYS A 19 -17.677 -7.105 -7.091 1.00 1.99 C ATOM 322 CG LYS A 19 -19.083 -7.226 -7.705 1.00 2.09 C ATOM 323 CD LYS A 19 -19.024 -7.868 -9.098 1.00 2.13 C ATOM 324 CE LYS A 19 -20.431 -7.941 -9.704 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.410 -8.534 -11.069 1.00 2.27 N ATOM 0 H LYS A 19 -19.231 -5.189 -5.122 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.271 -7.163 -5.048 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -17.052 -6.495 -7.743 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.220 -8.093 -7.045 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.718 -7.824 -7.052 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.539 -6.238 -7.775 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.369 -7.287 -9.748 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.597 -8.869 -9.028 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -21.076 -8.537 -9.058 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.861 -6.940 -9.748 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -21.378 -8.568 -11.448 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.815 -7.951 -11.692 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -20.023 -9.498 -11.023 1.00 2.27 H new ATOM 339 N THR A 20 -16.118 -5.410 -4.166 1.00 1.82 N ATOM 340 CA THR A 20 -14.835 -5.148 -3.513 1.00 1.73 C ATOM 341 C THR A 20 -15.036 -4.829 -2.018 1.00 1.72 C ATOM 342 O THR A 20 -14.642 -3.754 -1.571 1.00 1.68 O ATOM 343 CB THR A 20 -14.041 -4.045 -4.259 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.053 -4.257 -5.657 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.558 -4.009 -3.878 1.00 1.61 C ATOM 0 H THR A 20 -16.852 -4.750 -3.910 1.00 1.82 H new ATOM 0 HA THR A 20 -14.229 -6.053 -3.565 1.00 1.73 H new ATOM 0 HB THR A 20 -14.537 -3.117 -3.973 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.957 -4.103 -6.004 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.059 -3.216 -4.434 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.461 -3.819 -2.809 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.097 -4.967 -4.119 1.00 1.61 H new ATOM 353 N PRO A 21 -15.698 -5.696 -1.225 1.00 1.76 N ATOM 354 CA PRO A 21 -15.947 -5.444 0.200 1.00 1.76 C ATOM 355 C PRO A 21 -14.655 -5.429 1.036 1.00 1.69 C ATOM 356 O PRO A 21 -13.655 -6.044 0.669 1.00 1.66 O ATOM 357 CB PRO A 21 -16.875 -6.582 0.644 1.00 1.84 C ATOM 358 CG PRO A 21 -16.491 -7.735 -0.279 1.00 1.85 C ATOM 359 CD PRO A 21 -16.198 -7.016 -1.592 1.00 1.82 C ATOM 0 HA PRO A 21 -16.388 -4.458 0.350 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.722 -6.839 1.692 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.925 -6.311 0.532 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.621 -8.279 0.090 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.299 -8.459 -0.383 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.461 -7.563 -2.180 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.098 -6.937 -2.202 1.00 1.82 H new ATOM 367 N ILE A 22 -14.704 -4.821 2.227 1.00 1.68 N ATOM 368 CA ILE A 22 -13.610 -4.942 3.227 1.00 1.64 C ATOM 369 C ILE A 22 -13.390 -6.423 3.636 1.00 1.67 C ATOM 370 O ILE A 22 -12.297 -6.825 4.021 1.00 1.64 O ATOM 371 CB ILE A 22 -13.892 -3.987 4.419 1.00 1.64 C ATOM 372 CG1 ILE A 22 -13.862 -2.529 3.916 1.00 1.61 C ATOM 373 CG2 ILE A 22 -12.890 -4.180 5.573 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.204 -1.468 4.967 1.00 1.62 C ATOM 0 H ILE A 22 -15.484 -4.239 2.532 1.00 1.68 H new ATOM 0 HA ILE A 22 -12.663 -4.627 2.789 1.00 1.64 H new ATOM 0 HB ILE A 22 -14.878 -4.224 4.818 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -12.868 -2.318 3.521 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.562 -2.434 3.086 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.129 -3.490 6.382 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -12.951 -5.204 5.940 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -11.880 -3.982 5.215 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.155 -0.478 4.514 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.210 -1.644 5.347 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -13.490 -1.527 5.789 1.00 1.62 H new ATOM 386 N GLU A 23 -14.429 -7.243 3.442 1.00 1.74 N ATOM 387 CA GLU A 23 -14.327 -8.714 3.537 1.00 1.78 C ATOM 388 C GLU A 23 -13.235 -9.364 2.639 1.00 1.75 C ATOM 389 O GLU A 23 -12.887 -10.525 2.873 1.00 1.78 O ATOM 390 CB GLU A 23 -15.694 -9.368 3.279 1.00 1.87 C ATOM 391 CG GLU A 23 -16.761 -8.940 4.293 1.00 1.91 C ATOM 392 CD GLU A 23 -18.066 -9.728 4.082 1.00 2.00 C ATOM 393 OE1 GLU A 23 -18.887 -9.324 3.224 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.284 -10.754 4.772 1.00 2.06 O ATOM 0 H GLU A 23 -15.366 -6.911 3.215 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.003 -8.907 4.560 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.030 -9.111 2.275 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.584 -10.452 3.310 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.392 -9.103 5.306 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -16.956 -7.872 4.193 1.00 1.91 H new ATOM 401 N ARG A 24 -12.641 -8.640 1.666 1.00 1.69 N ATOM 402 CA ARG A 24 -11.455 -9.069 0.879 1.00 1.65 C ATOM 403 C ARG A 24 -10.184 -8.234 1.144 1.00 1.57 C ATOM 404 O ARG A 24 -9.196 -8.360 0.419 1.00 1.53 O ATOM 405 CB ARG A 24 -11.816 -9.211 -0.620 1.00 1.67 C ATOM 406 CG ARG A 24 -11.717 -7.926 -1.469 1.00 1.62 C ATOM 407 CD ARG A 24 -12.370 -8.084 -2.851 1.00 1.67 C ATOM 408 NE ARG A 24 -11.675 -9.070 -3.700 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.038 -9.476 -4.908 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.108 -9.040 -5.515 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.311 -10.348 -5.544 1.00 1.72 N ATOM 0 H ARG A 24 -12.979 -7.716 1.396 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.176 -10.060 1.238 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.162 -9.964 -1.060 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.835 -9.592 -0.693 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.195 -7.104 -0.936 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.668 -7.657 -1.595 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.409 -8.388 -2.725 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.380 -7.118 -3.356 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.825 -9.483 -3.317 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.709 -8.354 -5.059 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.343 -9.385 -6.446 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.464 -10.717 -5.113 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.588 -10.662 -6.474 1.00 1.72 H new ATOM 425 N ILE A 25 -10.191 -7.410 2.196 1.00 1.55 N ATOM 426 CA ILE A 25 -9.122 -6.483 2.611 1.00 1.48 C ATOM 427 C ILE A 25 -8.817 -6.724 4.111 1.00 1.49 C ATOM 428 O ILE A 25 -9.259 -5.963 4.977 1.00 1.50 O ATOM 429 CB ILE A 25 -9.501 -5.008 2.299 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.099 -4.807 0.885 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.233 -4.145 2.455 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.567 -3.374 0.602 1.00 1.45 C ATOM 0 H ILE A 25 -10.993 -7.366 2.824 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.214 -6.677 2.040 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.281 -4.711 3.000 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.352 -5.087 0.143 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -10.943 -5.485 0.759 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.473 -3.104 2.241 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -7.859 -4.229 3.475 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.469 -4.492 1.759 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -10.973 -3.317 -0.408 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.339 -3.095 1.319 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.723 -2.691 0.693 1.00 1.45 H new ATOM 444 N PRO A 26 -8.222 -7.891 4.417 1.00 1.53 N ATOM 445 CA PRO A 26 -8.000 -8.345 5.798 1.00 1.57 C ATOM 446 C PRO A 26 -7.222 -7.405 6.713 1.00 1.52 C ATOM 447 O PRO A 26 -7.784 -6.867 7.671 1.00 1.50 O ATOM 448 CB PRO A 26 -7.265 -9.689 5.629 1.00 1.62 C ATOM 449 CG PRO A 26 -6.720 -9.667 4.244 1.00 1.59 C ATOM 450 CD PRO A 26 -7.694 -8.862 3.436 1.00 1.55 C ATOM 0 HA PRO A 26 -8.959 -8.406 6.313 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.467 -9.796 6.364 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -7.944 -10.529 5.771 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -5.727 -9.218 4.221 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.622 -10.677 3.846 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.207 -8.364 2.598 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.485 -9.486 3.020 1.00 1.55 H new ATOM 458 N TYR A 27 -5.947 -7.203 6.424 1.00 1.52 N ATOM 459 CA TYR A 27 -5.105 -6.390 7.285 1.00 1.49 C ATOM 460 C TYR A 27 -4.320 -5.307 6.548 1.00 1.38 C ATOM 461 O TYR A 27 -4.580 -4.963 5.397 1.00 1.34 O ATOM 462 CB TYR A 27 -4.077 -7.328 7.939 1.00 1.61 C ATOM 463 CG TYR A 27 -4.598 -8.221 9.039 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.702 -7.745 10.334 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.952 -9.547 8.793 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.142 -8.554 11.357 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.401 -10.363 9.813 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.492 -9.863 11.094 1.00 2.29 C ATOM 469 OH TYR A 27 -5.924 -10.672 12.117 1.00 2.75 O ATOM 0 H TYR A 27 -5.475 -7.588 5.606 1.00 1.52 H new ATOM 0 HA TYR A 27 -5.763 -5.888 7.994 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.644 -7.958 7.162 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.268 -6.721 8.344 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.433 -6.721 10.546 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.874 -9.942 7.791 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -5.213 -8.166 12.362 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.679 -11.386 9.608 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.132 -11.562 11.764 1.00 2.75 H new ATOM 479 N LEU A 28 -3.354 -4.803 7.306 1.00 1.39 N ATOM 480 CA LEU A 28 -2.343 -3.837 6.899 1.00 1.35 C ATOM 481 C LEU A 28 -1.020 -4.561 7.175 1.00 1.35 C ATOM 482 O LEU A 28 -1.056 -5.585 7.846 1.00 1.38 O ATOM 483 CB LEU A 28 -2.463 -2.532 7.706 1.00 1.42 C ATOM 484 CG LEU A 28 -1.416 -1.454 7.412 1.00 1.37 C ATOM 485 CD1 LEU A 28 -1.902 -0.540 6.299 1.00 1.58 C ATOM 486 CD2 LEU A 28 -1.106 -0.657 8.674 1.00 1.77 C ATOM 0 H LEU A 28 -3.250 -5.076 8.283 1.00 1.39 H new ATOM 0 HA LEU A 28 -2.439 -3.532 5.857 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -3.451 -2.108 7.526 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.411 -2.779 8.766 1.00 1.42 H new ATOM 0 HG LEU A 28 -0.496 -1.937 7.081 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -1.149 0.222 6.099 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -2.074 -1.126 5.396 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.832 -0.060 6.603 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -0.360 0.105 8.449 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -2.016 -0.179 9.035 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -0.719 -1.327 9.442 1.00 1.77 H new ATOM 583 N ASN A 34 -7.245 -0.083 9.255 1.00 1.56 N ATOM 584 CA ASN A 34 -7.383 1.249 9.867 1.00 1.58 C ATOM 585 C ASN A 34 -7.241 2.380 8.838 1.00 1.57 C ATOM 586 O ASN A 34 -6.193 3.023 8.725 1.00 1.91 O ATOM 587 CB ASN A 34 -6.365 1.378 11.002 1.00 1.60 C ATOM 588 CG ASN A 34 -6.610 0.347 12.089 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.743 -0.088 12.309 1.00 2.14 O ATOM 590 ND2 ASN A 34 -5.548 -0.054 12.773 1.00 2.10 N ATOM 0 HA ASN A 34 -8.389 1.348 10.274 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -5.358 1.256 10.604 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -6.420 2.379 11.430 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -5.650 -0.748 13.513 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -4.628 0.331 12.559 1.00 2.10 H new ATOM 597 N LEU A 35 -8.322 2.614 8.100 1.00 1.38 N ATOM 598 CA LEU A 35 -8.354 3.615 7.037 1.00 1.34 C ATOM 599 C LEU A 35 -8.064 5.030 7.535 1.00 1.32 C ATOM 600 O LEU A 35 -7.193 5.706 6.992 1.00 1.28 O ATOM 601 CB LEU A 35 -9.724 3.583 6.351 1.00 1.40 C ATOM 602 CG LEU A 35 -9.856 4.412 5.064 1.00 1.43 C ATOM 603 CD1 LEU A 35 -10.125 5.870 5.387 1.00 1.47 C ATOM 604 CD2 LEU A 35 -8.612 4.291 4.194 1.00 1.52 C ATOM 0 H LEU A 35 -9.203 2.114 8.222 1.00 1.38 H new ATOM 0 HA LEU A 35 -7.562 3.360 6.333 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -9.966 2.546 6.117 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -10.472 3.933 7.062 1.00 1.40 H new ATOM 0 HG LEU A 35 -10.702 4.013 4.505 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -10.215 6.437 4.461 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -11.052 5.952 5.954 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -9.301 6.269 5.979 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -8.739 4.890 3.292 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -7.744 4.649 4.748 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -8.461 3.247 3.918 1.00 1.52 H new ATOM 616 N TRP A 36 -8.809 5.471 8.546 1.00 1.37 N ATOM 617 CA TRP A 36 -8.660 6.830 9.094 1.00 1.37 C ATOM 618 C TRP A 36 -7.183 7.199 9.372 1.00 1.32 C ATOM 619 O TRP A 36 -6.784 8.352 9.215 1.00 1.31 O ATOM 620 CB TRP A 36 -9.497 7.002 10.370 1.00 1.45 C ATOM 621 CG TRP A 36 -9.229 5.978 11.430 1.00 1.50 C ATOM 622 CD1 TRP A 36 -9.593 4.663 11.410 1.00 1.55 C ATOM 623 CD2 TRP A 36 -8.553 6.190 12.674 1.00 1.53 C ATOM 624 NE1 TRP A 36 -9.167 4.039 12.554 1.00 1.61 N ATOM 625 CE2 TRP A 36 -8.531 4.956 13.349 1.00 1.60 C ATOM 626 CE3 TRP A 36 -7.961 7.302 13.282 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -7.939 4.802 14.599 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -7.376 7.146 14.524 1.00 1.61 C ATOM 629 CH2 TRP A 36 -7.368 5.904 15.170 1.00 1.66 C ATOM 0 H TRP A 36 -9.525 4.911 9.008 1.00 1.37 H new ATOM 0 HA TRP A 36 -9.029 7.515 8.330 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -9.307 7.993 10.783 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -10.553 6.964 10.105 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -10.137 4.184 10.610 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -9.302 3.053 12.777 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -7.961 8.264 12.790 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -7.931 3.845 15.100 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -6.917 7.997 15.005 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -6.901 5.815 16.140 1.00 1.66 H new ATOM 640 N THR A 37 -6.391 6.205 9.787 1.00 1.32 N ATOM 641 CA THR A 37 -4.959 6.373 10.102 1.00 1.29 C ATOM 642 C THR A 37 -4.093 6.498 8.846 1.00 1.23 C ATOM 643 O THR A 37 -3.319 7.448 8.752 1.00 1.21 O ATOM 644 CB THR A 37 -4.434 5.224 10.978 1.00 1.34 C ATOM 645 OG1 THR A 37 -5.149 5.178 12.194 1.00 1.41 O ATOM 646 CG2 THR A 37 -2.963 5.382 11.367 1.00 1.35 C ATOM 0 H THR A 37 -6.724 5.250 9.917 1.00 1.32 H new ATOM 0 HA THR A 37 -4.883 7.307 10.658 1.00 1.29 H new ATOM 0 HB THR A 37 -4.559 4.323 10.377 1.00 1.34 H new ATOM 0 HG1 THR A 37 -4.810 4.442 12.745 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.657 4.537 11.984 1.00 1.35 H new ATOM 0 HG22 THR A 37 -2.350 5.414 10.466 1.00 1.35 H new ATOM 0 HG23 THR A 37 -2.832 6.308 11.928 1.00 1.35 H new ATOM 654 N MET A 38 -4.223 5.609 7.849 1.00 1.20 N ATOM 655 CA MET A 38 -3.488 5.785 6.577 1.00 1.15 C ATOM 656 C MET A 38 -3.913 7.066 5.834 1.00 1.13 C ATOM 657 O MET A 38 -3.092 7.692 5.167 1.00 1.11 O ATOM 658 CB MET A 38 -3.563 4.551 5.660 1.00 1.14 C ATOM 659 CG MET A 38 -4.974 4.138 5.236 1.00 1.17 C ATOM 660 SD MET A 38 -5.049 3.212 3.679 1.00 1.17 S ATOM 661 CE MET A 38 -5.895 1.695 4.197 1.00 1.25 C ATOM 0 H MET A 38 -4.814 4.779 7.891 1.00 1.20 H new ATOM 0 HA MET A 38 -2.440 5.899 6.855 1.00 1.15 H new ATOM 0 HB2 MET A 38 -2.975 4.748 4.764 1.00 1.14 H new ATOM 0 HB3 MET A 38 -3.094 3.710 6.171 1.00 1.14 H new ATOM 0 HG2 MET A 38 -5.415 3.531 6.027 1.00 1.17 H new ATOM 0 HG3 MET A 38 -5.588 5.033 5.142 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.215 1.138 3.316 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.214 1.082 4.786 1.00 1.25 H new ATOM 0 HE3 MET A 38 -6.766 1.952 4.800 1.00 1.25 H new ATOM 671 N PHE A 39 -5.171 7.486 6.007 1.00 1.17 N ATOM 672 CA PHE A 39 -5.650 8.771 5.503 1.00 1.19 C ATOM 673 C PHE A 39 -4.942 9.953 6.164 1.00 1.20 C ATOM 674 O PHE A 39 -4.265 10.705 5.466 1.00 1.20 O ATOM 675 CB PHE A 39 -7.168 8.884 5.648 1.00 1.25 C ATOM 676 CG PHE A 39 -7.695 10.226 5.169 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.599 10.569 3.806 1.00 1.30 C ATOM 678 CD2 PHE A 39 -8.233 11.149 6.085 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.054 11.820 3.356 1.00 1.37 C ATOM 680 CE2 PHE A 39 -8.675 12.408 5.637 1.00 1.43 C ATOM 681 CZ PHE A 39 -8.581 12.743 4.275 1.00 1.44 C ATOM 0 H PHE A 39 -5.881 6.944 6.499 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.405 8.810 4.442 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -7.645 8.085 5.080 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.443 8.740 6.693 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.174 9.867 3.104 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -8.307 10.891 7.131 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -7.999 12.071 2.307 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.087 13.117 6.340 1.00 1.43 H new ATOM 0 HZ PHE A 39 -8.915 13.712 3.934 1.00 1.44 H new ATOM 691 N GLN A 40 -5.028 10.122 7.491 1.00 1.24 N ATOM 692 CA GLN A 40 -4.348 11.261 8.136 1.00 1.27 C ATOM 693 C GLN A 40 -2.814 11.211 7.974 1.00 1.25 C ATOM 694 O GLN A 40 -2.176 12.261 7.889 1.00 1.28 O ATOM 695 CB GLN A 40 -4.791 11.400 9.603 1.00 1.33 C ATOM 696 CG GLN A 40 -4.201 10.323 10.523 1.00 1.33 C ATOM 697 CD GLN A 40 -4.950 10.214 11.845 1.00 1.39 C ATOM 698 OE1 GLN A 40 -4.535 10.713 12.881 1.00 1.44 O ATOM 699 NE2 GLN A 40 -6.077 9.537 11.852 1.00 1.40 N ATOM 0 H GLN A 40 -5.543 9.509 8.123 1.00 1.24 H new ATOM 0 HA GLN A 40 -4.659 12.166 7.615 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -4.497 12.383 9.972 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -5.879 11.353 9.652 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -4.227 9.360 10.013 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -3.154 10.551 10.720 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -6.426 9.119 10.990 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -6.602 9.430 12.720 1.00 1.40 H new ATOM 708 N ALA A 41 -2.224 10.015 7.842 1.00 1.21 N ATOM 709 CA ALA A 41 -0.825 9.848 7.461 1.00 1.20 C ATOM 710 C ALA A 41 -0.550 10.393 6.050 1.00 1.18 C ATOM 711 O ALA A 41 0.310 11.256 5.889 1.00 1.21 O ATOM 712 CB ALA A 41 -0.441 8.369 7.580 1.00 1.18 C ATOM 0 H ALA A 41 -2.712 9.133 7.999 1.00 1.21 H new ATOM 0 HA ALA A 41 -0.204 10.431 8.141 1.00 1.20 H new ATOM 0 HB1 ALA A 41 0.603 8.240 7.296 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -0.581 8.038 8.609 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -1.072 7.775 6.919 1.00 1.18 H new ATOM 718 N ALA A 42 -1.315 9.978 5.036 1.00 1.14 N ATOM 719 CA ALA A 42 -1.203 10.519 3.681 1.00 1.14 C ATOM 720 C ALA A 42 -1.401 12.042 3.635 1.00 1.20 C ATOM 721 O ALA A 42 -0.671 12.726 2.929 1.00 1.23 O ATOM 722 CB ALA A 42 -2.195 9.797 2.760 1.00 1.11 C ATOM 0 H ALA A 42 -2.030 9.257 5.133 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.187 10.339 3.329 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.113 10.199 1.750 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -1.969 8.731 2.746 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.210 9.947 3.129 1.00 1.11 H new ATOM 728 N GLN A 43 -2.325 12.585 4.436 1.00 1.23 N ATOM 729 CA GLN A 43 -2.574 14.031 4.486 1.00 1.31 C ATOM 730 C GLN A 43 -1.408 14.808 5.133 1.00 1.35 C ATOM 731 O GLN A 43 -1.196 15.978 4.808 1.00 1.42 O ATOM 732 CB GLN A 43 -3.907 14.330 5.194 1.00 1.35 C ATOM 733 CG GLN A 43 -5.146 13.815 4.432 1.00 1.35 C ATOM 734 CD GLN A 43 -5.261 14.340 2.998 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.139 15.525 2.722 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.480 13.479 2.026 1.00 1.35 N ATOM 0 H GLN A 43 -2.917 12.040 5.063 1.00 1.23 H new ATOM 0 HA GLN A 43 -2.646 14.381 3.456 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -3.889 13.880 6.187 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.000 15.407 5.334 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.117 12.726 4.407 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.042 14.098 4.984 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.584 12.487 2.238 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.545 13.804 1.062 1.00 1.35 H new ATOM 745 N LYS A 44 -0.610 14.139 5.980 1.00 1.33 N ATOM 746 CA LYS A 44 0.635 14.716 6.512 1.00 1.39 C ATOM 747 C LYS A 44 1.762 14.623 5.483 1.00 1.39 C ATOM 748 O LYS A 44 2.430 15.619 5.204 1.00 1.45 O ATOM 749 CB LYS A 44 0.986 14.000 7.827 1.00 1.39 C ATOM 750 CG LYS A 44 2.126 14.696 8.587 1.00 1.47 C ATOM 751 CD LYS A 44 2.563 13.921 9.838 1.00 1.49 C ATOM 752 CE LYS A 44 1.402 13.658 10.806 1.00 1.49 C ATOM 753 NZ LYS A 44 1.890 13.059 12.072 1.00 1.53 N ATOM 0 H LYS A 44 -0.806 13.195 6.312 1.00 1.33 H new ATOM 0 HA LYS A 44 0.497 15.777 6.719 1.00 1.39 H new ATOM 0 HB2 LYS A 44 0.101 13.959 8.462 1.00 1.39 H new ATOM 0 HB3 LYS A 44 1.272 12.970 7.612 1.00 1.39 H new ATOM 0 HG2 LYS A 44 2.981 14.816 7.922 1.00 1.47 H new ATOM 0 HG3 LYS A 44 1.806 15.697 8.878 1.00 1.47 H new ATOM 0 HD2 LYS A 44 3.002 12.970 9.537 1.00 1.49 H new ATOM 0 HD3 LYS A 44 3.342 14.482 10.355 1.00 1.49 H new ATOM 0 HE2 LYS A 44 0.882 14.592 11.018 1.00 1.49 H new ATOM 0 HE3 LYS A 44 0.679 12.990 10.339 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 1.086 12.891 12.709 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 2.365 12.156 11.869 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 2.562 13.709 12.527 1.00 1.53 H new ATOM 767 N LEU A 45 1.902 13.448 4.864 1.00 1.32 N ATOM 768 CA LEU A 45 2.840 13.239 3.753 1.00 1.32 C ATOM 769 C LEU A 45 2.400 13.900 2.404 1.00 1.34 C ATOM 770 O LEU A 45 3.007 13.617 1.367 1.00 1.34 O ATOM 771 CB LEU A 45 3.187 11.722 3.653 1.00 1.27 C ATOM 772 CG LEU A 45 4.092 11.070 4.742 1.00 1.30 C ATOM 773 CD1 LEU A 45 5.319 11.924 5.065 1.00 1.39 C ATOM 774 CD2 LEU A 45 3.386 10.757 6.059 1.00 1.29 C ATOM 0 H LEU A 45 1.370 12.615 5.117 1.00 1.32 H new ATOM 0 HA LEU A 45 3.761 13.778 3.977 1.00 1.32 H new ATOM 0 HB2 LEU A 45 2.246 11.172 3.637 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.668 11.559 2.688 1.00 1.27 H new ATOM 0 HG LEU A 45 4.386 10.126 4.283 1.00 1.30 H new ATOM 0 HD11 LEU A 45 5.917 11.427 5.829 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.918 12.056 4.164 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.998 12.898 5.433 1.00 1.39 H new ATOM 0 HD21 LEU A 45 4.095 10.306 6.754 1.00 1.29 H new ATOM 0 HD22 LEU A 45 2.992 11.678 6.489 1.00 1.29 H new ATOM 0 HD23 LEU A 45 2.566 10.063 5.876 1.00 1.29 H new ATOM 786 N GLY A 46 1.394 14.796 2.406 1.00 1.36 N ATOM 787 CA GLY A 46 1.111 15.660 1.227 1.00 1.42 C ATOM 788 C GLY A 46 -0.093 15.284 0.340 1.00 1.40 C ATOM 789 O GLY A 46 -0.140 15.624 -0.845 1.00 1.44 O ATOM 0 H GLY A 46 0.767 14.945 3.197 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.960 16.678 1.585 1.00 1.42 H new ATOM 0 HA3 GLY A 46 2.001 15.672 0.598 1.00 1.42 H new ATOM 793 N GLY A 47 -1.053 14.581 0.938 1.00 1.34 N ATOM 794 CA GLY A 47 -2.161 13.952 0.225 1.00 1.32 C ATOM 795 C GLY A 47 -1.723 12.907 -0.806 1.00 1.28 C ATOM 796 O GLY A 47 -0.540 12.754 -1.124 1.00 1.27 O ATOM 0 H GLY A 47 -1.083 14.431 1.946 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.824 13.478 0.949 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.741 14.725 -0.280 1.00 1.32 H new ATOM 800 N TYR A 48 -2.708 12.215 -1.381 1.00 1.27 N ATOM 801 CA TYR A 48 -2.473 11.316 -2.522 1.00 1.26 C ATOM 802 C TYR A 48 -1.729 11.984 -3.698 1.00 1.32 C ATOM 803 O TYR A 48 -1.094 11.299 -4.502 1.00 1.31 O ATOM 804 CB TYR A 48 -3.815 10.733 -2.977 1.00 1.28 C ATOM 805 CG TYR A 48 -3.698 9.521 -3.884 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.460 8.251 -3.326 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.838 9.659 -5.278 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.396 7.113 -4.151 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.756 8.525 -6.110 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.546 7.250 -5.547 1.00 1.27 C ATOM 811 OH TYR A 48 -3.496 6.159 -6.356 1.00 1.29 O ATOM 0 H TYR A 48 -3.681 12.257 -1.077 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.809 10.521 -2.182 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.395 10.458 -2.096 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.376 11.509 -3.498 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.326 8.149 -2.259 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -4.008 10.634 -5.710 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.233 6.138 -3.717 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.854 8.633 -7.180 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.619 6.437 -7.288 1.00 1.29 H new ATOM 821 N GLU A 49 -1.760 13.319 -3.802 1.00 1.39 N ATOM 822 CA GLU A 49 -1.140 14.029 -4.932 1.00 1.47 C ATOM 823 C GLU A 49 0.384 14.125 -4.806 1.00 1.46 C ATOM 824 O GLU A 49 1.094 13.767 -5.750 1.00 1.48 O ATOM 825 CB GLU A 49 -1.767 15.422 -5.076 1.00 1.57 C ATOM 826 CG GLU A 49 -3.168 15.313 -5.691 1.00 1.61 C ATOM 827 CD GLU A 49 -3.911 16.655 -5.639 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.562 17.592 -6.398 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.872 16.762 -4.840 1.00 1.72 O ATOM 0 H GLU A 49 -2.207 13.930 -3.119 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.336 13.448 -5.833 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.827 15.904 -4.100 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -1.135 16.050 -5.703 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -3.087 14.980 -6.726 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.743 14.557 -5.157 1.00 1.61 H new ATOM 836 N THR A 50 0.916 14.518 -3.639 1.00 1.44 N ATOM 837 CA THR A 50 2.363 14.423 -3.372 1.00 1.45 C ATOM 838 C THR A 50 2.808 12.963 -3.367 1.00 1.37 C ATOM 839 O THR A 50 3.869 12.640 -3.899 1.00 1.40 O ATOM 840 CB THR A 50 2.766 15.092 -2.049 1.00 1.46 C ATOM 841 OG1 THR A 50 2.348 16.441 -2.043 1.00 1.54 O ATOM 842 CG2 THR A 50 4.279 15.113 -1.826 1.00 1.50 C ATOM 0 H THR A 50 0.371 14.903 -2.867 1.00 1.44 H new ATOM 0 HA THR A 50 2.866 14.960 -4.176 1.00 1.45 H new ATOM 0 HB THR A 50 2.291 14.503 -1.264 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.449 16.503 -1.659 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.500 15.598 -0.875 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.658 14.091 -1.809 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.758 15.665 -2.635 1.00 1.50 H new ATOM 850 N ILE A 51 1.966 12.061 -2.850 1.00 1.30 N ATOM 851 CA ILE A 51 2.219 10.615 -2.913 1.00 1.24 C ATOM 852 C ILE A 51 2.425 10.124 -4.356 1.00 1.27 C ATOM 853 O ILE A 51 3.375 9.390 -4.617 1.00 1.27 O ATOM 854 CB ILE A 51 1.090 9.875 -2.149 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.543 9.449 -0.740 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.520 8.654 -2.879 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.694 10.634 0.225 1.00 1.17 C ATOM 0 H ILE A 51 1.096 12.309 -2.379 1.00 1.30 H new ATOM 0 HA ILE A 51 3.162 10.384 -2.417 1.00 1.24 H new ATOM 0 HB ILE A 51 0.288 10.610 -2.082 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.821 8.743 -0.330 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.495 8.924 -0.814 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.263 8.200 -2.272 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.102 8.965 -3.836 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.315 7.928 -3.049 1.00 1.15 H new ATOM 0 HD11 ILE A 51 2.015 10.270 1.201 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.437 11.329 -0.166 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.737 11.146 0.326 1.00 1.17 H new ATOM 869 N THR A 52 1.583 10.550 -5.295 1.00 1.30 N ATOM 870 CA THR A 52 1.708 10.142 -6.707 1.00 1.35 C ATOM 871 C THR A 52 2.883 10.827 -7.400 1.00 1.42 C ATOM 872 O THR A 52 3.587 10.186 -8.184 1.00 1.45 O ATOM 873 CB THR A 52 0.394 10.411 -7.457 1.00 1.39 C ATOM 874 OG1 THR A 52 -0.619 9.636 -6.854 1.00 1.34 O ATOM 875 CG2 THR A 52 0.428 9.987 -8.926 1.00 1.45 C ATOM 0 H THR A 52 0.802 11.180 -5.110 1.00 1.30 H new ATOM 0 HA THR A 52 1.910 9.071 -6.725 1.00 1.35 H new ATOM 0 HB THR A 52 0.223 11.486 -7.409 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.916 10.072 -6.028 1.00 1.34 H new ATOM 0 HG21 THR A 52 -0.533 10.207 -9.391 1.00 1.45 H new ATOM 0 HG22 THR A 52 1.216 10.534 -9.444 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.626 8.917 -8.991 1.00 1.45 H new ATOM 883 N ALA A 53 3.156 12.089 -7.063 1.00 1.47 N ATOM 884 CA ALA A 53 4.313 12.812 -7.586 1.00 1.55 C ATOM 885 C ALA A 53 5.671 12.289 -7.058 1.00 1.54 C ATOM 886 O ALA A 53 6.688 12.515 -7.722 1.00 1.61 O ATOM 887 CB ALA A 53 4.133 14.298 -7.251 1.00 1.61 C ATOM 0 H ALA A 53 2.582 12.636 -6.421 1.00 1.47 H new ATOM 0 HA ALA A 53 4.351 12.652 -8.664 1.00 1.55 H new ATOM 0 HB1 ALA A 53 4.985 14.862 -7.631 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.218 14.667 -7.714 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.069 14.422 -6.170 1.00 1.61 H new ATOM 893 N ARG A 54 5.702 11.606 -5.897 1.00 1.47 N ATOM 894 CA ARG A 54 6.982 11.283 -5.215 1.00 1.49 C ATOM 895 C ARG A 54 7.158 9.830 -4.745 1.00 1.44 C ATOM 896 O ARG A 54 8.251 9.486 -4.296 1.00 1.48 O ATOM 897 CB ARG A 54 7.152 12.222 -4.002 1.00 1.51 C ATOM 898 CG ARG A 54 7.201 13.731 -4.307 1.00 1.59 C ATOM 899 CD ARG A 54 8.411 14.164 -5.152 1.00 1.68 C ATOM 900 NE ARG A 54 9.702 13.846 -4.502 1.00 1.72 N ATOM 901 CZ ARG A 54 10.310 14.526 -3.545 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.814 15.621 -3.039 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.450 14.113 -3.072 1.00 1.82 N ATOM 0 H ARG A 54 4.870 11.269 -5.413 1.00 1.47 H new ATOM 0 HA ARG A 54 7.748 11.427 -5.977 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.329 12.040 -3.311 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.071 11.948 -3.484 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.287 14.015 -4.829 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.214 14.280 -3.366 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.366 13.671 -6.123 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.356 15.237 -5.336 1.00 1.68 H new ATOM 0 HE ARG A 54 10.177 13.005 -4.830 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.924 15.983 -3.381 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.316 16.115 -2.301 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.877 13.263 -3.440 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.917 14.640 -2.334 1.00 1.82 H new ATOM 917 N ARG A 55 6.126 8.976 -4.839 1.00 1.37 N ATOM 918 CA ARG A 55 6.069 7.627 -4.221 1.00 1.32 C ATOM 919 C ARG A 55 6.407 7.719 -2.729 1.00 1.31 C ATOM 920 O ARG A 55 7.316 7.080 -2.201 1.00 1.35 O ATOM 921 CB ARG A 55 6.888 6.595 -5.034 1.00 1.37 C ATOM 922 CG ARG A 55 6.678 6.677 -6.562 1.00 1.40 C ATOM 923 CD ARG A 55 5.216 6.531 -7.026 1.00 1.35 C ATOM 924 NE ARG A 55 4.873 7.513 -8.077 1.00 1.40 N ATOM 925 CZ ARG A 55 5.106 7.437 -9.373 1.00 1.46 C ATOM 926 NH1 ARG A 55 5.695 6.415 -9.926 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.741 8.422 -10.138 1.00 1.51 N ATOM 0 H ARG A 55 5.280 9.205 -5.361 1.00 1.37 H new ATOM 0 HA ARG A 55 5.052 7.237 -4.263 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.947 6.737 -4.817 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.625 5.593 -4.696 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.062 7.634 -6.916 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.274 5.899 -7.038 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.054 5.522 -7.405 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.549 6.663 -6.174 1.00 1.35 H new ATOM 0 HE ARG A 55 4.395 8.356 -7.759 1.00 1.40 H new ATOM 0 HH11 ARG A 55 5.998 5.628 -9.351 1.00 1.49 H new ATOM 0 HH12 ARG A 55 5.854 6.401 -10.934 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.282 9.238 -9.734 1.00 1.51 H new ATOM 0 HH22 ARG A 55 4.914 8.379 -11.142 1.00 1.51 H new ATOM 941 N GLN A 56 5.621 8.579 -2.074 1.00 1.28 N ATOM 942 CA GLN A 56 5.859 8.951 -0.675 1.00 1.29 C ATOM 943 C GLN A 56 5.273 7.930 0.326 1.00 1.24 C ATOM 944 O GLN A 56 5.427 8.115 1.532 1.00 1.25 O ATOM 945 CB GLN A 56 5.341 10.380 -0.411 1.00 1.30 C ATOM 946 CG GLN A 56 6.231 11.204 0.539 1.00 1.37 C ATOM 947 CD GLN A 56 7.367 11.924 -0.191 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.163 12.935 -0.850 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.599 11.470 -0.118 1.00 1.51 N ATOM 0 H GLN A 56 4.810 9.033 -2.493 1.00 1.28 H new ATOM 0 HA GLN A 56 6.936 8.936 -0.510 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.257 10.906 -1.362 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.337 10.320 0.009 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.617 11.938 1.060 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.653 10.545 1.298 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.802 10.630 0.423 1.00 1.51 H new ATOM 0 HE22 GLN A 56 9.352 11.958 -0.603 1.00 1.51 H new ATOM 958 N TRP A 57 4.646 6.833 -0.133 1.00 1.19 N ATOM 959 CA TRP A 57 4.160 5.745 0.733 1.00 1.17 C ATOM 960 C TRP A 57 5.241 5.166 1.649 1.00 1.24 C ATOM 961 O TRP A 57 4.938 4.812 2.785 1.00 1.24 O ATOM 962 CB TRP A 57 3.507 4.619 -0.076 1.00 1.15 C ATOM 963 CG TRP A 57 2.190 4.970 -0.674 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.975 5.362 -1.948 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.888 4.970 -0.018 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.633 5.629 -2.114 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.085 5.422 -0.957 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.434 4.652 1.279 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.437 5.580 -0.616 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.918 4.790 1.628 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.847 5.258 0.687 1.00 1.06 C ATOM 0 H TRP A 57 4.461 6.675 -1.124 1.00 1.19 H new ATOM 0 HA TRP A 57 3.407 6.207 1.371 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.187 4.322 -0.875 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.378 3.752 0.572 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.732 5.452 -2.713 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.220 5.943 -2.992 1.00 1.09 H new ATOM 0 HE3 TRP A 57 1.139 4.296 2.016 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.149 5.943 -1.343 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.245 4.535 2.625 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.884 5.371 0.967 1.00 1.06 H new ATOM 982 N LYS A 58 6.474 5.254 1.221 1.00 1.32 N ATOM 983 CA LYS A 58 7.574 4.805 2.032 1.00 1.42 C ATOM 984 C LYS A 58 7.705 5.687 3.285 1.00 1.43 C ATOM 985 O LYS A 58 8.220 5.243 4.310 1.00 1.51 O ATOM 986 CB LYS A 58 8.844 4.792 1.195 1.00 1.54 C ATOM 987 CG LYS A 58 8.787 3.788 0.048 1.00 1.98 C ATOM 988 CD LYS A 58 7.989 2.539 0.421 1.00 2.07 C ATOM 989 CE LYS A 58 8.587 1.826 1.625 1.00 2.58 C ATOM 990 NZ LYS A 58 7.536 1.240 2.506 1.00 2.89 N ATOM 0 H LYS A 58 6.741 5.634 0.313 1.00 1.32 H new ATOM 0 HA LYS A 58 7.394 3.788 2.379 1.00 1.42 H new ATOM 0 HB2 LYS A 58 9.017 5.789 0.790 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.694 4.556 1.836 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.336 4.260 -0.825 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.800 3.501 -0.233 1.00 1.98 H new ATOM 0 HD2 LYS A 58 6.958 2.818 0.639 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.962 1.857 -0.429 1.00 2.07 H new ATOM 0 HE2 LYS A 58 9.256 1.036 1.283 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.191 2.528 2.199 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.875 1.227 3.489 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.672 1.815 2.445 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 7.328 0.269 2.199 1.00 2.89 H new ATOM 1004 N HIS A 59 7.252 6.947 3.178 1.00 1.39 N ATOM 1005 CA HIS A 59 7.269 7.885 4.307 1.00 1.40 C ATOM 1006 C HIS A 59 6.125 7.596 5.296 1.00 1.32 C ATOM 1007 O HIS A 59 6.236 7.921 6.474 1.00 1.35 O ATOM 1008 CB HIS A 59 7.258 9.331 3.819 1.00 1.43 C ATOM 1009 CG HIS A 59 8.591 9.787 3.296 1.00 1.58 C ATOM 1010 ND1 HIS A 59 9.039 11.086 3.408 1.00 1.81 N ATOM 1011 CD2 HIS A 59 9.577 9.109 2.650 1.00 1.59 C ATOM 1012 CE1 HIS A 59 10.235 11.190 2.854 1.00 1.93 C ATOM 1013 NE2 HIS A 59 10.584 10.005 2.386 1.00 1.79 N ATOM 0 H HIS A 59 6.869 7.338 2.317 1.00 1.39 H new ATOM 0 HA HIS A 59 8.201 7.737 4.853 1.00 1.40 H new ATOM 0 HB2 HIS A 59 6.510 9.437 3.033 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.954 9.982 4.638 1.00 1.43 H new ATOM 0 HD2 HIS A 59 9.570 8.060 2.392 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.827 12.092 2.794 1.00 1.93 H new ATOM 0 HE2 HIS A 59 11.459 9.790 1.907 1.00 1.79 H new ATOM 1022 N ILE A 60 4.994 7.050 4.809 1.00 1.23 N ATOM 1023 CA ILE A 60 3.918 6.600 5.705 1.00 1.20 C ATOM 1024 C ILE A 60 4.515 5.523 6.608 1.00 1.27 C ATOM 1025 O ILE A 60 4.349 5.622 7.814 1.00 1.33 O ATOM 1026 CB ILE A 60 2.661 6.123 4.946 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.968 7.361 4.332 1.00 1.14 C ATOM 1028 CG2 ILE A 60 1.702 5.358 5.881 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.821 7.029 3.375 1.00 1.14 C ATOM 0 H ILE A 60 4.806 6.912 3.816 1.00 1.23 H new ATOM 0 HA ILE A 60 3.555 7.434 6.305 1.00 1.20 H new ATOM 0 HB ILE A 60 2.950 5.430 4.155 1.00 1.15 H new ATOM 0 HG12 ILE A 60 1.584 7.985 5.139 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.712 7.952 3.798 1.00 1.14 H new ATOM 0 HG21 ILE A 60 0.826 5.035 5.318 1.00 1.18 H new ATOM 0 HG22 ILE A 60 2.212 4.486 6.291 1.00 1.18 H new ATOM 0 HG23 ILE A 60 1.389 6.012 6.695 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.390 7.953 2.989 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.200 6.432 2.546 1.00 1.14 H new ATOM 0 HD13 ILE A 60 0.055 6.466 3.907 1.00 1.14 H new ATOM 1238 N THR A 77 -0.145 -0.581 1.362 1.00 1.35 N ATOM 1239 CA THR A 77 -1.237 0.321 1.745 1.00 1.39 C ATOM 1240 C THR A 77 -1.768 1.125 0.551 1.00 1.34 C ATOM 1241 O THR A 77 -2.941 1.490 0.526 1.00 1.38 O ATOM 1242 CB THR A 77 -0.799 1.298 2.859 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.162 0.585 3.919 1.00 1.48 O ATOM 1244 CG2 THR A 77 -1.983 2.059 3.430 1.00 1.49 C ATOM 0 HA THR A 77 -2.039 -0.316 2.119 1.00 1.39 H new ATOM 0 HB THR A 77 -0.104 2.009 2.411 1.00 1.41 H new ATOM 0 HG1 THR A 77 0.164 -0.276 3.584 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.638 2.737 4.211 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.463 2.633 2.637 1.00 1.49 H new ATOM 0 HG23 THR A 77 -2.699 1.354 3.852 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.903 1.403 -0.434 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.302 2.157 -1.631 1.00 1.25 C ATOM 1254 C ARG A 78 -2.442 1.454 -2.365 1.00 1.30 C ATOM 1255 O ARG A 78 -3.387 2.089 -2.836 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.110 2.327 -2.586 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.470 3.053 -3.880 1.00 1.33 C ATOM 1258 CD ARG A 78 0.754 3.346 -4.738 1.00 1.40 C ATOM 1259 NE ARG A 78 0.452 4.300 -5.809 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.188 5.380 -6.080 1.00 1.92 C ATOM 1261 NH1 ARG A 78 2.284 5.638 -5.378 1.00 2.01 N ATOM 1262 NH2 ARG A 78 0.829 6.202 -7.057 1.00 2.42 N ATOM 0 H ARG A 78 0.076 1.118 -0.426 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.644 3.139 -1.304 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.679 2.879 -2.076 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.294 1.344 -2.829 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -1.174 2.447 -4.450 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.976 3.989 -3.641 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.551 3.745 -4.110 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.124 2.417 -5.172 1.00 1.40 H new ATOM 0 HE ARG A 78 -0.373 4.128 -6.384 1.00 1.56 H new ATOM 0 HH11 ARG A 78 2.568 5.009 -4.627 1.00 2.01 H new ATOM 0 HH12 ARG A 78 2.842 6.465 -5.590 1.00 2.01 H new ATOM 0 HH21 ARG A 78 -0.011 6.009 -7.603 1.00 2.42 H new ATOM 0 HH22 ARG A 78 1.393 7.027 -7.263 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.334 0.136 -2.438 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.313 -0.714 -3.104 1.00 1.45 C ATOM 1278 C ARG A 79 -4.621 -0.855 -2.318 1.00 1.48 C ATOM 1279 O ARG A 79 -5.676 -1.075 -2.912 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.716 -2.093 -3.438 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.443 -2.000 -4.301 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.917 -3.381 -4.713 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.805 -4.047 -5.690 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.670 -5.267 -6.178 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.691 -6.050 -5.825 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -2.524 -5.729 -7.046 1.00 1.82 N ATOM 0 H ARG A 79 -1.554 -0.381 -2.032 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.568 -0.212 -4.037 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.483 -2.617 -2.511 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.462 -2.689 -3.963 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.655 -1.413 -5.195 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.669 -1.469 -3.747 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.079 -3.275 -5.143 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.817 -4.009 -3.828 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.605 -3.508 -6.022 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.003 -5.727 -5.151 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.618 -6.986 -6.223 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -3.304 -5.148 -7.353 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -2.413 -6.672 -7.418 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.566 -0.684 -0.997 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.742 -0.572 -0.135 1.00 1.50 C ATOM 1302 C HIS A 80 -6.381 0.819 -0.271 1.00 1.44 C ATOM 1303 O HIS A 80 -7.566 0.913 -0.579 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.348 -0.912 1.315 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.697 -2.272 1.461 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -3.704 -2.608 2.355 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -4.977 -3.408 0.739 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.395 -3.905 2.178 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.144 -4.437 1.199 1.00 1.74 N ATOM 0 H HIS A 80 -3.685 -0.618 -0.487 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.502 -1.289 -0.446 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.664 -0.149 1.686 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.238 -0.875 1.943 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.712 -3.493 -0.047 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -2.649 -4.443 2.744 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.113 -5.398 0.858 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.603 1.906 -0.151 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.101 3.289 -0.237 1.00 1.29 C ATOM 1320 C TYR A 81 -6.851 3.576 -1.546 1.00 1.32 C ATOM 1321 O TYR A 81 -7.890 4.242 -1.524 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.917 4.257 -0.055 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.274 5.732 0.116 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.721 6.496 -0.983 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.102 6.359 1.366 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.015 7.866 -0.828 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.325 7.744 1.506 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.798 8.503 0.414 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.071 9.826 0.578 1.00 1.11 O ATOM 0 H TYR A 81 -4.597 1.849 0.011 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.830 3.435 0.560 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.345 3.939 0.817 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.260 4.161 -0.919 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.839 6.028 -1.949 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -4.798 5.775 2.222 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.407 8.430 -1.661 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.133 8.226 2.453 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.721 10.112 -0.097 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.396 3.021 -2.680 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.990 3.263 -3.995 1.00 1.39 C ATOM 1341 C GLU A 82 -8.368 2.606 -4.165 1.00 1.50 C ATOM 1342 O GLU A 82 -9.037 2.834 -5.177 1.00 1.56 O ATOM 1343 CB GLU A 82 -6.018 2.912 -5.134 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.845 1.417 -5.384 1.00 1.46 C ATOM 1345 CD GLU A 82 -5.103 1.157 -6.706 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -5.743 1.287 -7.781 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.901 0.800 -6.681 1.00 1.46 O ATOM 0 H GLU A 82 -5.598 2.386 -2.705 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.174 4.336 -4.057 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.370 3.382 -6.052 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -5.043 3.344 -4.908 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -5.291 0.969 -4.559 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.822 0.935 -5.411 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.799 1.808 -3.172 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.175 1.298 -3.101 1.00 1.64 C ATOM 1356 C ARG A 83 -10.896 1.617 -1.784 1.00 1.64 C ATOM 1357 O ARG A 83 -12.099 1.379 -1.698 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.200 -0.222 -3.367 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.705 -0.651 -4.755 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.585 -0.124 -5.900 1.00 1.81 C ATOM 1361 NE ARG A 83 -10.037 -0.524 -7.211 1.00 1.84 N ATOM 1362 CZ ARG A 83 -9.020 0.039 -7.841 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.496 1.165 -7.460 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -8.476 -0.533 -8.875 1.00 1.82 N ATOM 0 H ARG A 83 -8.205 1.501 -2.401 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.726 1.824 -3.881 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.589 -0.717 -2.612 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.221 -0.581 -3.236 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.684 -0.295 -4.896 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.672 -1.740 -4.802 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.599 -0.509 -5.792 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.649 0.963 -5.844 1.00 1.81 H new ATOM 0 HE ARG A 83 -10.487 -1.312 -7.677 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.869 1.651 -6.644 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.712 1.563 -7.976 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -8.834 -1.428 -9.210 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -7.692 -0.087 -9.351 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.196 2.179 -0.791 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.732 2.304 0.568 1.00 1.57 C ATOM 1380 C LEU A 84 -10.913 3.768 1.004 1.00 1.51 C ATOM 1381 O LEU A 84 -11.547 4.025 2.018 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.769 1.522 1.477 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.206 1.342 2.932 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.522 0.582 3.060 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.136 0.562 3.690 1.00 1.61 C ATOM 0 H LEU A 84 -9.255 2.555 -0.905 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.739 1.891 0.628 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.614 0.535 1.042 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.804 2.029 1.470 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.345 2.340 3.347 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -11.784 0.483 4.113 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.309 1.128 2.540 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.414 -0.409 2.618 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -9.446 0.433 4.727 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.002 -0.416 3.227 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.195 1.111 3.658 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.388 4.726 0.230 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.725 6.152 0.417 1.00 1.41 C ATOM 1399 C ILE A 85 -10.486 7.014 -0.821 1.00 1.39 C ATOM 1400 O ILE A 85 -11.173 8.020 -0.959 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.053 6.742 1.671 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.649 8.132 1.996 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.529 6.800 1.536 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.509 8.540 3.462 1.00 1.33 C ATOM 0 H ILE A 85 -9.731 4.546 -0.529 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.803 6.176 0.578 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.263 6.074 2.506 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.160 8.881 1.373 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.705 8.135 1.728 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.099 7.223 2.444 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.139 5.794 1.384 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.263 7.425 0.683 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -10.951 9.526 3.609 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.023 7.814 4.092 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.453 8.572 3.732 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.641 6.616 -1.777 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.577 7.269 -3.092 1.00 1.39 C ATOM 1418 C LEU A 86 -10.972 7.462 -3.750 1.00 1.49 C ATOM 1419 O LEU A 86 -11.219 8.554 -4.273 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.602 6.486 -3.983 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.383 7.044 -5.401 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.878 8.490 -5.394 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -7.368 6.191 -6.155 1.00 1.40 C ATOM 0 H LEU A 86 -8.988 5.841 -1.665 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.203 8.284 -2.959 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.637 6.442 -3.479 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.964 5.461 -4.070 1.00 1.37 H new ATOM 0 HG LEU A 86 -9.355 7.019 -5.893 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.741 8.832 -6.420 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.607 9.127 -4.893 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.927 8.541 -4.864 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -7.223 6.597 -7.156 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.418 6.197 -5.620 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.736 5.168 -6.229 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.924 6.497 -3.687 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.295 6.723 -4.160 1.00 1.69 C ATOM 1437 C PRO A 87 -14.169 7.613 -3.249 1.00 1.71 C ATOM 1438 O PRO A 87 -15.200 8.090 -3.729 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.911 5.328 -4.323 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.150 4.480 -3.312 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.748 5.078 -3.373 1.00 1.59 C ATOM 0 HA PRO A 87 -13.256 7.287 -5.092 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.981 5.335 -4.115 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.786 4.951 -5.338 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.580 4.554 -2.313 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.154 3.424 -3.583 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.229 4.951 -2.423 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.146 4.582 -4.134 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.800 7.864 -1.981 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.629 8.654 -1.049 1.00 1.66 C ATOM 1451 C TYR A 88 -14.080 10.059 -0.746 1.00 1.59 C ATOM 1452 O TYR A 88 -14.875 10.986 -0.616 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.970 7.833 0.210 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.397 7.288 0.244 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.002 6.751 -0.914 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.132 7.322 1.447 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.322 6.261 -0.870 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.455 6.840 1.494 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.054 6.305 0.335 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.330 5.829 0.371 1.00 2.17 O ATOM 0 H TYR A 88 -12.927 7.529 -1.574 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.567 8.862 -1.564 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.274 6.998 0.283 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.812 8.457 1.089 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.448 6.716 -1.840 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.676 7.721 2.341 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.774 5.851 -1.761 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.011 6.880 2.419 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.692 5.932 1.276 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.763 10.308 -0.782 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.222 11.687 -0.763 1.00 1.46 C ATOM 1472 C GLU A 89 -12.762 12.541 -1.938 1.00 1.53 C ATOM 1473 O GLU A 89 -12.724 13.770 -1.894 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.678 11.717 -0.709 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.967 11.243 -1.988 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.466 11.596 -1.970 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.676 10.903 -1.286 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.069 12.570 -2.660 1.00 1.29 O ATOM 0 H GLU A 89 -12.050 9.580 -0.824 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.581 12.140 0.161 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.358 12.736 -0.491 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.348 11.095 0.123 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.086 10.165 -2.092 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.438 11.701 -2.858 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.352 11.863 -2.934 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.112 12.514 -4.008 1.00 1.71 C ATOM 1487 C ARG A 90 -15.195 13.487 -3.504 1.00 1.78 C ATOM 1488 O ARG A 90 -15.379 14.529 -4.132 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.688 11.415 -4.921 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.245 11.964 -6.242 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.648 10.814 -7.173 1.00 1.97 C ATOM 1492 NE ARG A 90 -16.146 11.316 -8.467 1.00 2.08 N ATOM 1493 CZ ARG A 90 -16.386 10.602 -9.552 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -16.213 9.310 -9.588 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -16.810 11.179 -10.640 1.00 2.25 N ATOM 0 H ARG A 90 -13.315 10.847 -3.016 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.433 13.152 -4.574 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.908 10.685 -5.137 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.481 10.888 -4.390 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.108 12.599 -6.044 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.495 12.588 -6.728 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.791 10.162 -7.340 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -16.419 10.210 -6.695 1.00 1.97 H new ATOM 0 HE ARG A 90 -16.324 12.318 -8.531 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.881 8.817 -8.759 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -16.409 8.793 -10.445 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.959 12.188 -10.658 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -16.993 10.622 -11.474 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.861 13.228 -2.367 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.780 14.220 -1.769 1.00 1.84 C ATOM 1511 C PHE A 91 -16.044 15.379 -1.066 1.00 1.78 C ATOM 1512 O PHE A 91 -16.548 16.501 -1.047 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.839 13.567 -0.854 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.376 12.986 0.477 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.999 13.828 1.545 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.370 11.591 0.673 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.527 13.278 2.751 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.890 11.044 1.874 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.438 11.886 2.898 1.00 1.70 C ATOM 0 H PHE A 91 -15.785 12.354 -1.847 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.317 14.665 -2.606 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.605 14.314 -0.644 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.320 12.768 -1.418 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.073 14.900 1.436 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.737 10.938 -0.105 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.234 13.927 3.563 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.869 9.973 2.008 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.021 11.464 3.800 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.832 15.143 -0.546 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.043 16.196 0.129 1.00 1.62 C ATOM 1531 C ILE A 92 -13.461 17.157 -0.916 1.00 1.64 C ATOM 1532 O ILE A 92 -13.497 18.374 -0.758 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.912 15.569 0.989 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.471 14.517 1.978 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.148 16.669 1.753 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.414 13.757 2.786 1.00 1.43 C ATOM 0 H ILE A 92 -14.372 14.233 -0.577 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.699 16.755 0.796 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.222 15.061 0.315 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.146 15.017 2.672 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.066 13.795 1.418 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.358 16.215 2.352 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.708 17.368 1.041 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.837 17.203 2.407 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -12.905 13.045 3.449 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.751 13.222 2.106 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -11.833 14.463 3.379 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.979 16.590 -2.024 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.249 17.337 -3.058 1.00 1.66 C ATOM 1550 C LYS A 93 -13.157 17.847 -4.189 1.00 1.78 C ATOM 1551 O LYS A 93 -12.701 18.577 -5.070 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.149 16.389 -3.554 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.981 17.100 -4.246 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.748 16.190 -4.277 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.976 14.926 -5.115 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.814 14.016 -5.021 1.00 1.41 N ATOM 0 H LYS A 93 -13.083 15.597 -2.233 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.822 18.252 -2.648 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.765 15.820 -2.707 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.587 15.672 -4.248 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.264 17.375 -5.262 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.746 18.025 -3.719 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.901 16.744 -4.682 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.484 15.905 -3.259 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.874 14.413 -4.770 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.145 15.200 -6.156 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.921 13.244 -5.710 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.942 14.544 -5.226 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.761 13.619 -4.061 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.442 17.488 -4.128 1.00 1.84 N ATOM 1571 CA GLY A 94 -15.441 17.906 -5.116 1.00 1.97 C ATOM 1572 C GLY A 94 -16.606 18.708 -4.525 1.00 2.05 C ATOM 1573 O GLY A 94 -17.281 19.409 -5.276 1.00 2.15 O ATOM 0 H GLY A 94 -14.821 16.896 -3.388 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.950 18.508 -5.881 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.838 17.021 -5.613 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.835 18.653 -3.202 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.975 19.316 -2.536 1.00 2.08 C ATOM 1579 C GLU A 95 -17.639 19.924 -1.154 1.00 2.02 C ATOM 1580 O GLU A 95 -18.528 20.157 -0.330 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.186 18.357 -2.445 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.695 17.831 -3.794 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.987 17.013 -3.616 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.098 17.599 -3.666 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.907 15.772 -3.439 1.00 2.26 O ATOM 0 H GLU A 95 -16.231 18.144 -2.557 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.235 20.166 -3.167 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.912 17.507 -1.820 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -20.003 18.873 -1.941 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.880 18.667 -4.468 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.929 17.211 -4.259 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.361 20.224 -0.896 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.916 20.922 0.326 1.00 1.90 C ATOM 1594 C GLU A 96 -14.625 21.755 0.158 1.00 1.87 C ATOM 1595 O GLU A 96 -14.587 22.912 0.578 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.763 19.908 1.482 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.587 20.602 2.839 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.593 19.578 3.992 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -16.686 19.273 4.531 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.506 19.090 4.384 1.00 1.68 O ATOM 0 H GLU A 96 -15.598 19.990 -1.531 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.695 21.648 0.558 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.641 19.263 1.516 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.903 19.266 1.289 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.650 21.158 2.847 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.388 21.326 2.987 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.595 21.184 -0.461 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.338 21.910 -0.656 1.00 1.78 C ATOM 1609 C ASP A 97 -11.798 21.737 -2.074 1.00 1.87 C ATOM 1610 O ASP A 97 -11.142 20.737 -2.375 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.285 21.438 0.353 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.677 21.729 1.790 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.541 22.896 2.218 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -12.122 20.793 2.485 1.00 2.20 O ATOM 0 H ASP A 97 -13.602 20.234 -0.833 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.548 22.968 -0.498 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.129 20.366 0.234 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.335 21.925 0.134 1.00 1.78 H new