USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 659 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 95 ASN :FLIP amide:sc= -2.8! C(o=-6!,f=-2.8!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 LYS NZ :NH3+ -172:sc= -0.153 (180deg=-0.338) USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -4.9! C(o=-11!,f=-5.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -169:sc= 1.76 USER MOD Single : A 43 THR OG1 : rot -72:sc= -0.858! USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 60 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.33) USER MOD Single : A 61 SER OG : rot -26:sc= 0.403 USER MOD Single : A 69 ASN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 63:sc= -1.35! USER MOD Single : A 76 SER OG : rot -20:sc= 0.272 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.276 USER MOD Single : A 80 SER OG : rot -61:sc= 1.31 USER MOD Single : A 82 GLN :FLIP amide:sc= -1.14 F(o=-7!,f=-1.1) USER MOD Single : A 83 GLN :FLIP amide:sc= -1.66! C(o=-6!,f=-1.7!) USER MOD Single : A 84 MET CE :methyl -159:sc= -0.28 (180deg=-0.984) USER MOD Single : A 86 ASN :FLIP amide:sc= -2.95! C(o=-6.9!,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= -0.921 (180deg=-0.98) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.57 F(o=-2.6!,f=-1.6) USER MOD Single : A 100 ASN :FLIP amide:sc= -5.69! C(o=-8.4!,f=-5.7!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.291) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 74:sc= 0.658 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 136 GLN :FLIP amide:sc= -0.272 F(o=-0.97,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 34 5.855 -9.270 1.143 1.00 0.39 N ATOM 30 CA ILE A 34 4.586 -8.563 1.088 1.00 0.25 C ATOM 31 C ILE A 34 3.398 -9.504 1.231 1.00 0.24 C ATOM 32 O ILE A 34 3.073 -10.267 0.322 1.00 0.25 O ATOM 33 CB ILE A 34 4.443 -7.756 -0.220 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.545 -6.700 -0.317 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.069 -7.103 -0.307 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.507 -5.694 0.808 1.00 0.35 C ATOM 0 HA ILE A 34 4.586 -7.875 1.934 1.00 0.25 H new ATOM 0 HB ILE A 34 4.545 -8.444 -1.059 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.515 -7.196 -0.319 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.453 -6.175 -1.268 1.00 0.29 H new ATOM 0 HG21 ILE A 34 2.992 -6.540 -1.237 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.298 -7.873 -0.284 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.933 -6.428 0.538 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.315 -4.974 0.679 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.550 -5.172 0.797 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.629 -6.209 1.761 1.00 0.35 H new ATOM 48 N THR A 35 2.755 -9.433 2.387 1.00 0.25 N ATOM 49 CA THR A 35 1.581 -10.240 2.673 1.00 0.26 C ATOM 50 C THR A 35 0.423 -9.327 3.062 1.00 0.23 C ATOM 51 O THR A 35 0.437 -8.137 2.748 1.00 0.31 O ATOM 52 CB THR A 35 1.846 -11.241 3.814 1.00 0.33 C ATOM 53 OG1 THR A 35 2.163 -10.537 5.020 1.00 0.36 O ATOM 54 CG2 THR A 35 2.988 -12.180 3.456 1.00 0.35 C ATOM 0 H THR A 35 3.032 -8.816 3.150 1.00 0.25 H new ATOM 0 HA THR A 35 1.333 -10.807 1.776 1.00 0.26 H new ATOM 0 HB THR A 35 0.943 -11.832 3.965 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.328 -11.180 5.741 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.157 -12.877 4.277 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.733 -12.736 2.554 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.894 -11.600 3.281 1.00 0.35 H new ATOM 62 N LYS A 36 -0.584 -9.868 3.728 1.00 0.18 N ATOM 63 CA LYS A 36 -1.708 -9.051 4.162 1.00 0.15 C ATOM 64 C LYS A 36 -1.294 -8.217 5.363 1.00 0.12 C ATOM 65 O LYS A 36 -1.833 -7.141 5.608 1.00 0.14 O ATOM 66 CB LYS A 36 -2.914 -9.926 4.488 1.00 0.20 C ATOM 67 CG LYS A 36 -3.942 -9.265 5.394 1.00 0.27 C ATOM 68 CD LYS A 36 -4.135 -10.048 6.682 1.00 0.61 C ATOM 69 CE LYS A 36 -2.859 -10.109 7.507 1.00 0.57 C ATOM 70 NZ LYS A 36 -3.038 -10.914 8.747 1.00 0.99 N ATOM 0 H LYS A 36 -0.648 -10.855 3.978 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.999 -8.380 3.354 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.401 -10.215 3.556 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.565 -10.843 4.963 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.622 -8.250 5.629 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.894 -9.186 4.869 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -4.927 -9.586 7.272 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -4.463 -11.060 6.445 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -2.058 -10.541 6.906 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.549 -9.098 7.772 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -2.146 -10.931 9.281 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -3.784 -10.488 9.333 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.309 -11.886 8.494 1.00 0.99 H new ATOM 84 N GLY A 37 -0.326 -8.732 6.108 1.00 0.13 N ATOM 85 CA GLY A 37 0.178 -8.025 7.272 1.00 0.14 C ATOM 86 C GLY A 37 0.811 -6.698 6.896 1.00 0.14 C ATOM 87 O GLY A 37 0.545 -5.673 7.523 1.00 0.15 O ATOM 0 H GLY A 37 0.122 -9.630 5.927 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.638 -7.852 7.974 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.913 -8.646 7.784 1.00 0.14 H new ATOM 91 N VAL A 38 1.653 -6.725 5.866 1.00 0.15 N ATOM 92 CA VAL A 38 2.319 -5.519 5.382 1.00 0.16 C ATOM 93 C VAL A 38 1.293 -4.602 4.743 1.00 0.15 C ATOM 94 O VAL A 38 1.371 -3.377 4.840 1.00 0.16 O ATOM 95 CB VAL A 38 3.406 -5.856 4.335 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.775 -6.413 3.074 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.246 -4.637 3.999 1.00 1.28 C ATOM 0 H VAL A 38 1.891 -7.572 5.349 1.00 0.15 H new ATOM 0 HA VAL A 38 2.795 -5.032 6.233 1.00 0.16 H new ATOM 0 HB VAL A 38 4.060 -6.612 4.770 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.555 -6.644 2.349 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.222 -7.321 3.314 1.00 1.11 H new ATOM 0 HG13 VAL A 38 2.094 -5.675 2.651 1.00 1.11 H new ATOM 0 HG21 VAL A 38 5.001 -4.907 3.260 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.605 -3.854 3.593 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.736 -4.273 4.902 1.00 1.28 H new ATOM 107 N VAL A 39 0.331 -5.230 4.084 1.00 0.14 N ATOM 108 CA VAL A 39 -0.740 -4.526 3.408 1.00 0.15 C ATOM 109 C VAL A 39 -1.589 -3.747 4.406 1.00 0.14 C ATOM 110 O VAL A 39 -1.947 -2.600 4.161 1.00 0.17 O ATOM 111 CB VAL A 39 -1.589 -5.529 2.598 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.065 -5.162 2.575 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.037 -5.636 1.188 1.00 0.17 C ATOM 0 H VAL A 39 0.274 -6.245 4.005 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.313 -3.801 2.715 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.522 -6.498 3.093 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.615 -5.901 1.992 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.451 -5.144 3.594 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.188 -4.178 2.123 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.636 -6.344 0.616 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.074 -4.658 0.708 1.00 0.17 H new ATOM 0 HG23 VAL A 39 -0.004 -5.983 1.227 1.00 0.17 H new ATOM 123 N LEU A 40 -1.911 -4.371 5.529 1.00 0.13 N ATOM 124 CA LEU A 40 -2.697 -3.710 6.560 1.00 0.14 C ATOM 125 C LEU A 40 -1.953 -2.491 7.090 1.00 0.14 C ATOM 126 O LEU A 40 -2.508 -1.395 7.159 1.00 0.15 O ATOM 127 CB LEU A 40 -3.016 -4.689 7.686 1.00 0.15 C ATOM 128 CG LEU A 40 -4.120 -5.688 7.350 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.050 -6.899 8.261 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.479 -5.023 7.459 1.00 0.21 C ATOM 0 H LEU A 40 -1.642 -5.330 5.749 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.638 -3.371 6.127 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.110 -5.238 7.943 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.309 -4.125 8.571 1.00 0.15 H new ATOM 0 HG LEU A 40 -3.975 -6.027 6.324 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.847 -7.596 8.002 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.085 -7.390 8.140 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.168 -6.582 9.297 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.258 -5.746 7.217 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.625 -4.659 8.476 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.531 -4.186 6.763 1.00 0.21 H new ATOM 142 N ASP A 41 -0.696 -2.696 7.471 1.00 0.16 N ATOM 143 CA ASP A 41 0.136 -1.607 7.969 1.00 0.18 C ATOM 144 C ASP A 41 0.172 -0.466 6.955 1.00 0.18 C ATOM 145 O ASP A 41 0.313 0.701 7.317 1.00 0.20 O ATOM 146 CB ASP A 41 1.555 -2.105 8.249 1.00 0.18 C ATOM 147 CG ASP A 41 2.459 -1.007 8.776 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.431 -0.750 9.997 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.196 -0.406 7.966 1.00 0.21 O ATOM 0 H ASP A 41 -0.232 -3.604 7.444 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.295 -1.239 8.900 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.515 -2.918 8.973 1.00 0.18 H new ATOM 0 HB3 ASP A 41 1.981 -2.514 7.333 1.00 0.18 H new ATOM 154 N SER A 42 0.045 -0.825 5.680 1.00 0.17 N ATOM 155 CA SER A 42 0.053 0.148 4.592 1.00 0.19 C ATOM 156 C SER A 42 -1.300 0.840 4.452 1.00 0.24 C ATOM 157 O SER A 42 -1.366 2.038 4.165 1.00 0.34 O ATOM 158 CB SER A 42 0.479 -0.536 3.296 1.00 0.21 C ATOM 159 OG SER A 42 1.831 -0.950 3.371 1.00 0.30 O ATOM 0 H SER A 42 -0.066 -1.792 5.374 1.00 0.17 H new ATOM 0 HA SER A 42 0.777 0.929 4.823 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.161 -1.398 3.106 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.349 0.148 2.458 1.00 0.21 H new ATOM 0 HG SER A 42 2.137 -1.231 2.483 1.00 0.30 H new ATOM 165 N THR A 43 -2.379 0.094 4.671 1.00 0.20 N ATOM 166 CA THR A 43 -3.720 0.660 4.592 1.00 0.25 C ATOM 167 C THR A 43 -3.962 1.579 5.779 1.00 0.26 C ATOM 168 O THR A 43 -4.756 2.518 5.707 1.00 0.28 O ATOM 169 CB THR A 43 -4.805 -0.434 4.578 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.279 -1.653 5.104 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.335 -0.667 3.171 1.00 0.38 C ATOM 0 H THR A 43 -2.351 -0.899 4.903 1.00 0.20 H new ATOM 0 HA THR A 43 -3.784 1.219 3.658 1.00 0.25 H new ATOM 0 HB THR A 43 -5.631 -0.095 5.203 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.655 -2.045 4.458 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.099 -1.444 3.194 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.769 0.257 2.788 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.518 -0.981 2.522 1.00 0.38 H new ATOM 179 N GLU A 44 -3.263 1.298 6.875 1.00 0.25 N ATOM 180 CA GLU A 44 -3.377 2.090 8.084 1.00 0.27 C ATOM 181 C GLU A 44 -2.526 3.347 7.964 1.00 0.23 C ATOM 182 O GLU A 44 -2.970 4.441 8.302 1.00 0.21 O ATOM 183 CB GLU A 44 -2.941 1.264 9.293 1.00 0.31 C ATOM 184 CG GLU A 44 -2.669 2.089 10.528 1.00 0.65 C ATOM 185 CD GLU A 44 -2.295 1.245 11.730 1.00 0.79 C ATOM 186 OE1 GLU A 44 -3.209 0.837 12.478 1.00 1.52 O ATOM 187 OE2 GLU A 44 -1.087 0.992 11.925 1.00 1.06 O ATOM 0 H GLU A 44 -2.608 0.520 6.945 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.417 2.385 8.221 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -3.716 0.532 9.520 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -2.041 0.706 9.035 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -1.863 2.792 10.319 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -3.553 2.680 10.766 1.00 0.65 H new ATOM 194 N ALA A 45 -1.295 3.173 7.491 1.00 0.26 N ATOM 195 CA ALA A 45 -0.377 4.291 7.307 1.00 0.26 C ATOM 196 C ALA A 45 -1.043 5.425 6.535 1.00 0.23 C ATOM 197 O ALA A 45 -0.963 6.588 6.932 1.00 0.23 O ATOM 198 CB ALA A 45 0.882 3.827 6.588 1.00 0.28 C ATOM 0 H ALA A 45 -0.910 2.266 7.228 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.101 4.670 8.291 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.559 4.672 6.457 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.375 3.055 7.179 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.615 3.421 5.612 1.00 0.28 H new ATOM 204 N LEU A 46 -1.708 5.083 5.433 1.00 0.22 N ATOM 205 CA LEU A 46 -2.396 6.091 4.635 1.00 0.21 C ATOM 206 C LEU A 46 -3.645 6.568 5.361 1.00 0.18 C ATOM 207 O LEU A 46 -3.962 7.755 5.347 1.00 0.16 O ATOM 208 CB LEU A 46 -2.747 5.561 3.238 1.00 0.23 C ATOM 209 CG LEU A 46 -3.744 4.405 3.192 1.00 0.23 C ATOM 210 CD1 LEU A 46 -5.174 4.915 3.205 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.506 3.556 1.969 1.00 0.30 C ATOM 0 H LEU A 46 -1.784 4.130 5.078 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.721 6.936 4.501 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -3.149 6.385 2.649 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.826 5.240 2.751 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.593 3.795 4.082 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.862 4.070 3.172 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.348 5.488 4.116 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -5.341 5.553 2.337 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -4.224 2.736 1.950 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.627 4.166 1.074 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.494 3.152 1.998 1.00 0.30 H new ATOM 223 N CYS A 47 -4.344 5.632 6.004 1.00 0.17 N ATOM 224 CA CYS A 47 -5.557 5.955 6.747 1.00 0.16 C ATOM 225 C CYS A 47 -5.278 7.059 7.759 1.00 0.16 C ATOM 226 O CYS A 47 -6.074 7.983 7.924 1.00 0.20 O ATOM 227 CB CYS A 47 -6.090 4.712 7.461 1.00 0.19 C ATOM 228 SG CYS A 47 -7.598 5.000 8.419 1.00 0.23 S ATOM 0 H CYS A 47 -4.089 4.645 6.024 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.312 6.306 6.043 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.285 3.936 6.720 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.317 4.329 8.127 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.972 3.890 8.984 1.00 0.23 H new ATOM 234 N LEU A 48 -4.138 6.952 8.430 1.00 0.17 N ATOM 235 CA LEU A 48 -3.736 7.944 9.413 1.00 0.18 C ATOM 236 C LEU A 48 -3.416 9.254 8.716 1.00 0.18 C ATOM 237 O LEU A 48 -3.739 10.328 9.221 1.00 0.23 O ATOM 238 CB LEU A 48 -2.526 7.453 10.212 1.00 0.21 C ATOM 239 CG LEU A 48 -2.861 6.723 11.516 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.958 5.692 11.291 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.618 6.060 12.090 1.00 1.14 C ATOM 0 H LEU A 48 -3.476 6.186 8.309 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.559 8.103 10.110 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.940 6.785 9.580 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -1.893 8.309 10.445 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.225 7.458 12.234 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.180 5.186 12.230 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -4.856 6.190 10.926 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.625 4.961 10.555 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -1.875 5.546 13.016 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.225 5.340 11.372 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -0.862 6.818 12.293 1.00 1.14 H new ATOM 253 N ALA A 49 -2.790 9.157 7.546 1.00 0.16 N ATOM 254 CA ALA A 49 -2.449 10.337 6.769 1.00 0.18 C ATOM 255 C ALA A 49 -3.708 11.143 6.475 1.00 0.18 C ATOM 256 O ALA A 49 -3.654 12.363 6.317 1.00 0.28 O ATOM 257 CB ALA A 49 -1.747 9.945 5.479 1.00 0.19 C ATOM 0 H ALA A 49 -2.511 8.274 7.119 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.764 10.955 7.349 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.500 10.843 4.912 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.832 9.401 5.713 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.405 9.310 4.885 1.00 0.19 H new ATOM 263 N ILE A 50 -4.845 10.449 6.394 1.00 0.12 N ATOM 264 CA ILE A 50 -6.116 11.114 6.153 1.00 0.14 C ATOM 265 C ILE A 50 -6.567 11.792 7.435 1.00 0.18 C ATOM 266 O ILE A 50 -7.101 12.901 7.419 1.00 0.21 O ATOM 267 CB ILE A 50 -7.222 10.142 5.682 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.632 8.981 4.878 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.237 10.896 4.838 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.659 7.960 4.432 1.00 0.18 C ATOM 0 H ILE A 50 -4.907 9.436 6.492 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.959 11.839 5.354 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.713 9.727 6.562 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -6.126 9.380 3.999 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.875 8.481 5.482 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -9.016 10.210 4.507 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.684 11.693 5.432 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.739 11.327 3.969 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -7.165 7.169 3.868 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -8.149 7.531 5.306 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.403 8.445 3.800 1.00 0.18 H new ATOM 282 N SER A 51 -6.342 11.103 8.552 1.00 0.25 N ATOM 283 CA SER A 51 -6.685 11.629 9.863 1.00 0.31 C ATOM 284 C SER A 51 -5.703 12.729 10.245 1.00 0.35 C ATOM 285 O SER A 51 -5.899 13.448 11.225 1.00 0.40 O ATOM 286 CB SER A 51 -6.669 10.513 10.903 1.00 0.35 C ATOM 287 OG SER A 51 -6.625 11.038 12.219 1.00 0.45 O ATOM 0 H SER A 51 -5.921 10.174 8.570 1.00 0.25 H new ATOM 0 HA SER A 51 -7.691 12.048 9.828 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.557 9.891 10.786 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.805 9.870 10.736 1.00 0.35 H new ATOM 0 HG SER A 51 -6.617 10.301 12.865 1.00 0.45 H new ATOM 293 N ARG A 52 -4.645 12.844 9.448 1.00 0.33 N ATOM 294 CA ARG A 52 -3.612 13.851 9.659 1.00 0.40 C ATOM 295 C ARG A 52 -4.036 15.184 9.052 1.00 0.41 C ATOM 296 O ARG A 52 -3.521 16.239 9.420 1.00 0.85 O ATOM 297 CB ARG A 52 -2.298 13.387 9.026 1.00 0.46 C ATOM 298 CG ARG A 52 -1.619 12.263 9.776 1.00 1.01 C ATOM 299 CD ARG A 52 -0.609 12.790 10.777 1.00 1.09 C ATOM 300 NE ARG A 52 -0.071 11.730 11.626 1.00 1.61 N ATOM 301 CZ ARG A 52 0.811 11.940 12.600 1.00 1.97 C ATOM 302 NH1 ARG A 52 1.251 13.166 12.848 1.00 1.88 N ATOM 303 NH2 ARG A 52 1.252 10.923 13.328 1.00 2.91 N ATOM 0 H ARG A 52 -4.480 12.243 8.640 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.468 13.985 10.731 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.493 13.062 8.004 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.616 14.235 8.966 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -2.369 11.666 10.295 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -1.119 11.602 9.068 1.00 1.01 H new ATOM 0 HD2 ARG A 52 0.208 13.277 10.245 1.00 1.09 H new ATOM 0 HD3 ARG A 52 -1.080 13.549 11.401 1.00 1.09 H new ATOM 0 HE ARG A 52 -0.389 10.775 11.463 1.00 1.61 H new ATOM 0 HH11 ARG A 52 0.913 13.951 12.292 1.00 1.88 H new ATOM 0 HH12 ARG A 52 1.927 13.324 13.595 1.00 1.88 H new ATOM 0 HH21 ARG A 52 0.915 9.978 13.142 1.00 2.91 H new ATOM 0 HH22 ARG A 52 1.928 11.085 14.074 1.00 2.91 H new ATOM 412 N HIS A 60 -2.790 16.115 1.519 1.00 0.54 N ATOM 413 CA HIS A 60 -3.583 15.124 0.804 1.00 0.41 C ATOM 414 C HIS A 60 -2.662 14.180 0.042 1.00 0.37 C ATOM 415 O HIS A 60 -3.045 13.064 -0.309 1.00 0.60 O ATOM 416 CB HIS A 60 -4.558 15.808 -0.162 1.00 0.56 C ATOM 417 CG HIS A 60 -3.996 16.030 -1.533 1.00 0.48 C ATOM 418 ND1 HIS A 60 -2.933 16.872 -1.747 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.376 15.487 -2.716 1.00 0.48 C ATOM 420 CE1 HIS A 60 -2.688 16.822 -3.044 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.538 15.996 -3.673 1.00 0.80 N ATOM 0 HA HIS A 60 -4.163 14.551 1.527 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.460 15.201 -0.243 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -4.857 16.769 0.258 1.00 0.56 H new ATOM 0 HD2 HIS A 60 -5.184 14.788 -2.874 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -1.902 17.376 -3.536 1.00 1.30 H new ATOM 0 HE2 HIS A 60 -3.557 15.787 -4.671 1.00 0.80 H new ATOM 429 N SER A 61 -1.444 14.648 -0.215 1.00 0.33 N ATOM 430 CA SER A 61 -0.451 13.857 -0.927 1.00 0.40 C ATOM 431 C SER A 61 0.122 12.778 -0.018 1.00 0.29 C ATOM 432 O SER A 61 0.836 11.886 -0.471 1.00 0.28 O ATOM 433 CB SER A 61 0.673 14.756 -1.446 1.00 0.58 C ATOM 434 OG SER A 61 1.652 14.002 -2.140 1.00 1.58 O ATOM 0 H SER A 61 -1.122 15.576 0.062 1.00 0.33 H new ATOM 0 HA SER A 61 -0.938 13.377 -1.776 1.00 0.40 H new ATOM 0 HB2 SER A 61 0.258 15.516 -2.108 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.138 15.280 -0.611 1.00 0.58 H new ATOM 0 HG SER A 61 1.646 13.078 -1.813 1.00 1.58 H new ATOM 440 N ALA A 62 -0.194 12.871 1.268 1.00 0.26 N ATOM 441 CA ALA A 62 0.278 11.898 2.245 1.00 0.24 C ATOM 442 C ALA A 62 -0.565 10.632 2.172 1.00 0.19 C ATOM 443 O ALA A 62 -0.036 9.521 2.118 1.00 0.21 O ATOM 444 CB ALA A 62 0.242 12.497 3.644 1.00 0.33 C ATOM 0 H ALA A 62 -0.776 13.612 1.659 1.00 0.26 H new ATOM 0 HA ALA A 62 1.310 11.635 2.015 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.597 11.760 4.365 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.884 13.377 3.679 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.780 12.783 3.891 1.00 0.33 H new ATOM 450 N VAL A 63 -1.881 10.811 2.172 1.00 0.18 N ATOM 451 CA VAL A 63 -2.804 9.686 2.072 1.00 0.16 C ATOM 452 C VAL A 63 -2.785 9.146 0.651 1.00 0.15 C ATOM 453 O VAL A 63 -2.890 7.940 0.421 1.00 0.18 O ATOM 454 CB VAL A 63 -4.254 10.085 2.447 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.535 11.535 2.078 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.263 9.158 1.772 1.00 0.19 C ATOM 0 H VAL A 63 -2.333 11.723 2.240 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.476 8.924 2.778 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.359 9.982 3.527 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.559 11.788 2.352 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.844 12.187 2.613 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.403 11.669 1.004 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.274 9.457 2.049 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.150 9.223 0.690 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -5.087 8.132 2.094 1.00 0.19 H new ATOM 466 N LEU A 64 -2.639 10.062 -0.295 1.00 0.16 N ATOM 467 CA LEU A 64 -2.603 9.709 -1.705 1.00 0.18 C ATOM 468 C LEU A 64 -1.385 8.843 -2.013 1.00 0.20 C ATOM 469 O LEU A 64 -1.519 7.741 -2.539 1.00 0.24 O ATOM 470 CB LEU A 64 -2.590 10.982 -2.568 1.00 0.17 C ATOM 471 CG LEU A 64 -2.919 10.795 -4.059 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.665 10.463 -4.854 1.00 0.23 C ATOM 473 CD2 LEU A 64 -3.977 9.714 -4.252 1.00 0.24 C ATOM 0 H LEU A 64 -2.543 11.060 -0.109 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.498 9.133 -1.942 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.304 11.689 -2.146 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.604 11.439 -2.489 1.00 0.17 H new ATOM 0 HG LEU A 64 -3.321 11.736 -4.433 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -1.924 10.335 -5.905 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.945 11.275 -4.753 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.227 9.540 -4.474 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.192 9.601 -5.315 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.608 8.769 -3.854 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.888 9.999 -3.726 1.00 0.24 H new ATOM 485 N GLU A 65 -0.202 9.343 -1.660 1.00 0.19 N ATOM 486 CA GLU A 65 1.051 8.627 -1.902 1.00 0.22 C ATOM 487 C GLU A 65 1.096 7.296 -1.152 1.00 0.20 C ATOM 488 O GLU A 65 1.418 6.256 -1.729 1.00 0.21 O ATOM 489 CB GLU A 65 2.237 9.502 -1.483 1.00 0.23 C ATOM 490 CG GLU A 65 3.586 8.815 -1.621 1.00 0.32 C ATOM 491 CD GLU A 65 4.741 9.715 -1.232 1.00 1.32 C ATOM 492 OE1 GLU A 65 5.207 10.490 -2.095 1.00 1.65 O ATOM 493 OE2 GLU A 65 5.179 9.649 -0.064 1.00 2.32 O ATOM 0 H GLU A 65 -0.084 10.247 -1.202 1.00 0.19 H new ATOM 0 HA GLU A 65 1.112 8.410 -2.968 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.238 10.409 -2.087 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.101 9.810 -0.446 1.00 0.23 H new ATOM 0 HG2 GLU A 65 3.600 7.922 -0.997 1.00 0.32 H new ATOM 0 HG3 GLU A 65 3.718 8.486 -2.652 1.00 0.32 H new ATOM 500 N ALA A 66 0.771 7.340 0.134 1.00 0.18 N ATOM 501 CA ALA A 66 0.780 6.140 0.967 1.00 0.16 C ATOM 502 C ALA A 66 -0.190 5.100 0.430 1.00 0.22 C ATOM 503 O ALA A 66 -0.023 3.903 0.667 1.00 0.29 O ATOM 504 CB ALA A 66 0.434 6.484 2.406 1.00 0.16 C ATOM 0 H ALA A 66 0.498 8.192 0.624 1.00 0.18 H new ATOM 0 HA ALA A 66 1.786 5.721 0.940 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.446 5.577 3.010 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.166 7.190 2.797 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.559 6.932 2.444 1.00 0.16 H new ATOM 510 N GLY A 67 -1.202 5.559 -0.295 1.00 0.29 N ATOM 511 CA GLY A 67 -2.173 4.642 -0.851 1.00 0.40 C ATOM 512 C GLY A 67 -1.711 4.036 -2.162 1.00 0.26 C ATOM 513 O GLY A 67 -2.086 2.910 -2.486 1.00 0.25 O ATOM 0 H GLY A 67 -1.366 6.543 -0.506 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.368 3.845 -0.134 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -3.115 5.166 -1.008 1.00 0.40 H new ATOM 517 N LYS A 68 -0.905 4.774 -2.929 1.00 0.21 N ATOM 518 CA LYS A 68 -0.370 4.239 -4.176 1.00 0.15 C ATOM 519 C LYS A 68 0.525 3.063 -3.835 1.00 0.16 C ATOM 520 O LYS A 68 0.595 2.070 -4.562 1.00 0.21 O ATOM 521 CB LYS A 68 0.441 5.294 -4.934 1.00 0.18 C ATOM 522 CG LYS A 68 -0.157 6.682 -4.929 1.00 0.66 C ATOM 523 CD LYS A 68 -1.546 6.640 -5.492 1.00 0.65 C ATOM 524 CE LYS A 68 -1.555 6.947 -6.977 1.00 0.73 C ATOM 525 NZ LYS A 68 -2.910 6.779 -7.574 1.00 0.83 N ATOM 0 H LYS A 68 -0.614 5.727 -2.711 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.196 3.932 -4.818 1.00 0.15 H new ATOM 0 HB2 LYS A 68 1.440 5.343 -4.501 1.00 0.18 H new ATOM 0 HB3 LYS A 68 0.557 4.968 -5.968 1.00 0.18 H new ATOM 0 HG2 LYS A 68 -0.179 7.075 -3.912 1.00 0.66 H new ATOM 0 HG3 LYS A 68 0.464 7.357 -5.518 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.979 5.654 -5.321 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -2.174 7.360 -4.967 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.212 7.969 -7.138 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -0.850 6.290 -7.487 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -2.847 6.865 -8.608 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -3.284 5.841 -7.327 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.546 7.514 -7.204 1.00 0.83 H new ATOM 539 N ASN A 69 1.205 3.199 -2.701 1.00 0.16 N ATOM 540 CA ASN A 69 2.099 2.175 -2.194 1.00 0.19 C ATOM 541 C ASN A 69 1.294 0.972 -1.721 1.00 0.20 C ATOM 542 O ASN A 69 1.632 -0.174 -2.011 1.00 0.23 O ATOM 543 CB ASN A 69 2.921 2.754 -1.039 1.00 0.21 C ATOM 544 CG ASN A 69 4.187 3.441 -1.512 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.230 2.806 -1.670 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.102 4.747 -1.736 1.00 0.30 N ATOM 0 H ASN A 69 1.148 4.027 -2.109 1.00 0.16 H new ATOM 0 HA ASN A 69 2.773 1.849 -2.987 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.310 3.467 -0.485 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.183 1.953 -0.347 1.00 0.21 H new ATOM 0 HD21 ASN A 69 4.922 5.265 -2.052 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.217 5.233 -1.592 1.00 0.30 H new ATOM 553 N LEU A 70 0.210 1.259 -1.007 1.00 0.20 N ATOM 554 CA LEU A 70 -0.672 0.224 -0.482 1.00 0.21 C ATOM 555 C LEU A 70 -1.227 -0.619 -1.621 1.00 0.19 C ATOM 556 O LEU A 70 -1.207 -1.848 -1.565 1.00 0.21 O ATOM 557 CB LEU A 70 -1.812 0.878 0.304 1.00 0.24 C ATOM 558 CG LEU A 70 -2.802 -0.066 1.009 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.790 -0.649 0.040 1.00 1.00 C ATOM 560 CD2 LEU A 70 -2.098 -1.190 1.735 1.00 1.41 C ATOM 0 H LEU A 70 -0.080 2.210 -0.777 1.00 0.20 H new ATOM 0 HA LEU A 70 -0.108 -0.429 0.184 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.373 1.533 1.057 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.376 1.512 -0.380 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.332 0.543 1.741 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.474 -1.311 0.572 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -4.356 0.155 -0.431 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.259 -1.215 -0.725 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.836 -1.830 2.217 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.519 -1.777 1.022 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.430 -0.774 2.490 1.00 1.41 H new ATOM 572 N TYR A 71 -1.724 0.055 -2.654 1.00 0.15 N ATOM 573 CA TYR A 71 -2.279 -0.629 -3.813 1.00 0.14 C ATOM 574 C TYR A 71 -1.202 -1.477 -4.470 1.00 0.14 C ATOM 575 O TYR A 71 -1.480 -2.547 -5.005 1.00 0.16 O ATOM 576 CB TYR A 71 -2.841 0.384 -4.824 1.00 0.14 C ATOM 577 CG TYR A 71 -3.027 -0.184 -6.218 1.00 0.13 C ATOM 578 CD1 TYR A 71 -1.996 -0.147 -7.148 1.00 0.71 C ATOM 579 CD2 TYR A 71 -4.237 -0.751 -6.603 1.00 0.75 C ATOM 580 CE1 TYR A 71 -2.165 -0.658 -8.421 1.00 0.72 C ATOM 581 CE2 TYR A 71 -4.413 -1.264 -7.874 1.00 0.75 C ATOM 582 CZ TYR A 71 -3.363 -1.234 -8.773 1.00 0.16 C ATOM 583 OH TYR A 71 -3.546 -1.726 -10.046 1.00 0.19 O ATOM 0 H TYR A 71 -1.753 1.073 -2.710 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.095 -1.272 -3.482 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.800 0.752 -4.461 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.170 1.241 -4.877 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -1.047 0.288 -6.872 1.00 0.71 H new ATOM 0 HD2 TYR A 71 -5.053 -0.791 -5.897 1.00 0.75 H new ATOM 0 HE1 TYR A 71 -1.358 -0.605 -9.137 1.00 0.72 H new ATOM 0 HE2 TYR A 71 -5.364 -1.686 -8.163 1.00 0.75 H new ATOM 0 HH TYR A 71 -4.448 -2.100 -10.126 1.00 0.19 H new ATOM 593 N SER A 72 0.032 -0.990 -4.407 1.00 0.14 N ATOM 594 CA SER A 72 1.164 -1.684 -5.007 1.00 0.17 C ATOM 595 C SER A 72 1.565 -2.922 -4.209 1.00 0.13 C ATOM 596 O SER A 72 2.067 -3.897 -4.783 1.00 0.32 O ATOM 597 CB SER A 72 2.360 -0.736 -5.124 1.00 0.29 C ATOM 598 OG SER A 72 3.487 -1.401 -5.668 1.00 1.13 O ATOM 0 H SER A 72 0.274 -0.114 -3.944 1.00 0.14 H new ATOM 0 HA SER A 72 0.855 -2.013 -5.999 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.095 0.112 -5.755 1.00 0.29 H new ATOM 0 HB3 SER A 72 2.609 -0.337 -4.141 1.00 0.29 H new ATOM 0 HG SER A 72 4.237 -0.773 -5.734 1.00 1.13 H new ATOM 604 N PHE A 73 1.291 -2.931 -2.903 1.00 0.20 N ATOM 605 CA PHE A 73 1.685 -4.076 -2.089 1.00 0.17 C ATOM 606 C PHE A 73 0.660 -5.179 -2.241 1.00 0.13 C ATOM 607 O PHE A 73 1.007 -6.348 -2.398 1.00 0.15 O ATOM 608 CB PHE A 73 1.805 -3.697 -0.611 1.00 0.24 C ATOM 609 CG PHE A 73 2.689 -2.515 -0.347 1.00 0.24 C ATOM 610 CD1 PHE A 73 3.932 -2.403 -0.950 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.271 -1.516 0.511 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.740 -1.310 -0.699 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.073 -0.421 0.766 1.00 0.23 C ATOM 614 CZ PHE A 73 4.310 -0.318 0.160 1.00 0.26 C ATOM 0 H PHE A 73 0.813 -2.183 -2.401 1.00 0.20 H new ATOM 0 HA PHE A 73 2.661 -4.417 -2.434 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.810 -3.486 -0.220 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.189 -4.554 -0.058 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.272 -3.177 -1.622 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.305 -1.592 0.988 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.707 -1.232 -1.174 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.734 0.353 1.438 1.00 0.23 H new ATOM 0 HZ PHE A 73 4.940 0.537 0.358 1.00 0.26 H new ATOM 624 N CYS A 74 -0.609 -4.794 -2.206 1.00 0.15 N ATOM 625 CA CYS A 74 -1.688 -5.748 -2.357 1.00 0.20 C ATOM 626 C CYS A 74 -1.636 -6.365 -3.749 1.00 0.16 C ATOM 627 O CYS A 74 -1.806 -7.571 -3.910 1.00 0.27 O ATOM 628 CB CYS A 74 -3.043 -5.070 -2.141 1.00 0.31 C ATOM 629 SG CYS A 74 -3.123 -4.009 -0.680 1.00 0.90 S ATOM 0 H CYS A 74 -0.911 -3.829 -2.074 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.569 -6.530 -1.607 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -3.282 -4.474 -3.022 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.811 -5.839 -2.059 1.00 0.31 H new ATOM 0 HG CYS A 74 -2.282 -3.026 -0.811 1.00 0.90 H new ATOM 635 N VAL A 75 -1.414 -5.518 -4.755 1.00 0.25 N ATOM 636 CA VAL A 75 -1.330 -5.960 -6.131 1.00 0.28 C ATOM 637 C VAL A 75 -0.272 -7.037 -6.320 1.00 0.27 C ATOM 638 O VAL A 75 -0.480 -7.984 -7.078 1.00 0.29 O ATOM 639 CB VAL A 75 -1.048 -4.773 -7.072 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.404 -4.721 -7.530 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.981 -4.840 -8.248 1.00 0.43 C ATOM 0 H VAL A 75 -1.289 -4.513 -4.631 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.297 -6.394 -6.385 1.00 0.28 H new ATOM 0 HB VAL A 75 -1.224 -3.853 -6.515 1.00 0.37 H new ATOM 0 HG11 VAL A 75 0.547 -3.866 -8.191 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.056 -4.622 -6.662 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.650 -5.638 -8.066 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.785 -4.002 -8.916 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.824 -5.776 -8.784 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -3.012 -4.791 -7.898 1.00 0.43 H new ATOM 651 N SER A 76 0.867 -6.898 -5.651 1.00 0.27 N ATOM 652 CA SER A 76 1.913 -7.899 -5.781 1.00 0.28 C ATOM 653 C SER A 76 1.693 -9.034 -4.781 1.00 0.23 C ATOM 654 O SER A 76 2.338 -10.080 -4.857 1.00 0.26 O ATOM 655 CB SER A 76 3.290 -7.269 -5.567 1.00 0.32 C ATOM 656 OG SER A 76 4.319 -8.233 -5.710 1.00 0.90 O ATOM 0 H SER A 76 1.085 -6.121 -5.028 1.00 0.27 H new ATOM 0 HA SER A 76 1.871 -8.308 -6.790 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.440 -6.463 -6.285 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.340 -6.824 -4.573 1.00 0.32 H new ATOM 0 HG SER A 76 3.944 -9.131 -5.597 1.00 0.90 H new ATOM 662 N TYR A 77 0.773 -8.811 -3.847 1.00 0.18 N ATOM 663 CA TYR A 77 0.456 -9.792 -2.812 1.00 0.16 C ATOM 664 C TYR A 77 -0.673 -10.737 -3.238 1.00 0.17 C ATOM 665 O TYR A 77 -0.773 -11.855 -2.732 1.00 0.20 O ATOM 666 CB TYR A 77 0.099 -9.056 -1.515 1.00 0.16 C ATOM 667 CG TYR A 77 -0.962 -9.727 -0.676 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.645 -10.769 0.184 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.283 -9.311 -0.744 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.615 -11.379 0.951 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.257 -9.914 0.021 1.00 0.22 C ATOM 672 CZ TYR A 77 -2.921 -10.948 0.867 1.00 0.21 C ATOM 673 OH TYR A 77 -3.892 -11.551 1.632 1.00 0.25 O ATOM 0 H TYR A 77 0.229 -7.951 -3.785 1.00 0.18 H new ATOM 0 HA TYR A 77 1.334 -10.416 -2.648 1.00 0.16 H new ATOM 0 HB2 TYR A 77 1.002 -8.948 -0.915 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.239 -8.050 -1.766 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.378 -11.108 0.254 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.552 -8.502 -1.407 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.353 -12.190 1.614 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.281 -9.577 -0.042 1.00 0.22 H new ATOM 0 HH TYR A 77 -4.758 -11.128 1.455 1.00 0.25 H new ATOM 683 N VAL A 78 -1.516 -10.299 -4.169 1.00 0.19 N ATOM 684 CA VAL A 78 -2.624 -11.127 -4.635 1.00 0.25 C ATOM 685 C VAL A 78 -2.123 -12.303 -5.464 1.00 0.27 C ATOM 686 O VAL A 78 -2.888 -13.192 -5.836 1.00 0.25 O ATOM 687 CB VAL A 78 -3.645 -10.323 -5.458 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.563 -9.544 -4.540 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.942 -9.397 -6.438 1.00 0.72 C ATOM 0 H VAL A 78 -1.454 -9.383 -4.613 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.123 -11.501 -3.741 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.250 -11.022 -6.036 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.280 -8.980 -5.136 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.097 -10.235 -3.888 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.973 -8.856 -3.934 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.685 -8.839 -7.008 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.308 -8.701 -5.890 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.329 -9.986 -7.120 1.00 0.72 H new ATOM 699 N ASP A 79 -0.834 -12.288 -5.768 1.00 0.36 N ATOM 700 CA ASP A 79 -0.217 -13.361 -6.537 1.00 0.41 C ATOM 701 C ASP A 79 -0.040 -14.603 -5.668 1.00 0.43 C ATOM 702 O ASP A 79 0.442 -15.637 -6.131 1.00 0.51 O ATOM 703 CB ASP A 79 1.137 -12.904 -7.087 1.00 0.48 C ATOM 704 CG ASP A 79 1.769 -13.931 -8.006 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.435 -13.936 -9.209 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.597 -14.730 -7.522 1.00 0.93 O ATOM 0 H ASP A 79 -0.193 -11.544 -5.494 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.870 -13.611 -7.373 1.00 0.41 H new ATOM 0 HB2 ASP A 79 1.007 -11.967 -7.629 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.813 -12.700 -6.256 1.00 0.48 H new ATOM 711 N SER A 80 -0.443 -14.492 -4.403 1.00 0.41 N ATOM 712 CA SER A 80 -0.328 -15.594 -3.464 1.00 0.46 C ATOM 713 C SER A 80 -1.700 -16.099 -3.031 1.00 0.42 C ATOM 714 O SER A 80 -1.804 -16.972 -2.170 1.00 0.46 O ATOM 715 CB SER A 80 0.474 -15.154 -2.242 1.00 0.52 C ATOM 716 OG SER A 80 -0.153 -14.069 -1.580 1.00 1.49 O ATOM 0 H SER A 80 -0.853 -13.645 -4.009 1.00 0.41 H new ATOM 0 HA SER A 80 0.190 -16.412 -3.964 1.00 0.46 H new ATOM 0 HB2 SER A 80 0.580 -15.992 -1.553 1.00 0.52 H new ATOM 0 HB3 SER A 80 1.479 -14.864 -2.549 1.00 0.52 H new ATOM 0 HG SER A 80 -0.204 -13.301 -2.187 1.00 1.49 H new ATOM 722 N ILE A 81 -2.751 -15.547 -3.630 1.00 0.38 N ATOM 723 CA ILE A 81 -4.108 -15.950 -3.301 1.00 0.38 C ATOM 724 C ILE A 81 -4.404 -17.354 -3.810 1.00 0.51 C ATOM 725 O ILE A 81 -4.816 -17.528 -4.958 1.00 1.39 O ATOM 726 CB ILE A 81 -5.135 -14.984 -3.910 1.00 0.29 C ATOM 727 CG1 ILE A 81 -4.767 -13.539 -3.588 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.535 -15.312 -3.420 1.00 0.40 C ATOM 729 CD1 ILE A 81 -4.825 -13.182 -2.118 1.00 0.56 C ATOM 0 H ILE A 81 -2.686 -14.821 -4.344 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.188 -15.932 -2.214 1.00 0.38 H new ATOM 0 HB ILE A 81 -5.121 -15.103 -4.993 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -3.759 -13.345 -3.955 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -5.438 -12.877 -4.135 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.248 -14.616 -3.863 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.793 -16.330 -3.711 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.570 -15.225 -2.334 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.548 -12.136 -1.986 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -5.837 -13.339 -1.745 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -4.132 -13.814 -1.563 1.00 0.56 H new ATOM 741 N GLN A 82 -4.192 -18.354 -2.961 1.00 0.92 N ATOM 742 CA GLN A 82 -4.467 -19.732 -3.348 1.00 0.92 C ATOM 743 C GLN A 82 -5.937 -19.855 -3.706 1.00 0.93 C ATOM 744 O GLN A 82 -6.319 -20.613 -4.599 1.00 1.11 O ATOM 745 CB GLN A 82 -4.102 -20.709 -2.226 1.00 0.98 C ATOM 746 CG GLN A 82 -5.247 -20.985 -1.274 1.00 1.54 C ATOM 747 CD GLN A 82 -6.050 -22.222 -1.645 1.00 1.78 C ATOM 748 OE1 GLN A 82 -7.139 -22.031 -2.391 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -5.704 -23.338 -1.257 1.00 1.43 N flip ATOM 0 H GLN A 82 -3.835 -18.239 -2.012 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.853 -19.989 -4.212 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.771 -21.649 -2.666 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -3.260 -20.306 -1.663 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -4.851 -21.106 -0.266 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -5.911 -20.121 -1.255 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -4.864 -23.442 -0.688 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -6.257 -24.158 -1.505 1.00 1.43 H new ATOM 758 N GLN A 83 -6.753 -19.094 -2.987 1.00 0.85 N ATOM 759 CA GLN A 83 -8.175 -19.072 -3.199 1.00 0.93 C ATOM 760 C GLN A 83 -8.481 -18.606 -4.608 1.00 0.96 C ATOM 761 O GLN A 83 -7.588 -18.174 -5.337 1.00 1.85 O ATOM 762 CB GLN A 83 -8.827 -18.157 -2.169 1.00 0.93 C ATOM 763 CG GLN A 83 -9.074 -18.827 -0.839 1.00 1.39 C ATOM 764 CD GLN A 83 -7.799 -19.086 -0.058 1.00 2.06 C ATOM 765 OE1 GLN A 83 -6.794 -18.238 -0.254 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -7.718 -20.040 0.716 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.435 -18.476 -2.240 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.580 -20.077 -3.079 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.191 -17.285 -2.015 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.775 -17.794 -2.566 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -9.738 -18.202 -0.242 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -9.590 -19.773 -1.005 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -8.513 -20.667 0.837 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -6.856 -20.203 1.236 1.00 2.55 H new ATOM 775 N MET A 84 -9.741 -18.691 -4.992 1.00 0.95 N ATOM 776 CA MET A 84 -10.138 -18.298 -6.327 1.00 0.91 C ATOM 777 C MET A 84 -11.514 -17.643 -6.326 1.00 0.86 C ATOM 778 O MET A 84 -11.726 -16.624 -6.984 1.00 0.93 O ATOM 779 CB MET A 84 -10.104 -19.522 -7.238 1.00 1.14 C ATOM 780 CG MET A 84 -10.513 -20.808 -6.538 1.00 1.34 C ATOM 781 SD MET A 84 -10.767 -22.180 -7.682 1.00 1.97 S ATOM 782 CE MET A 84 -12.121 -21.555 -8.673 1.00 2.71 C ATOM 0 H MET A 84 -10.502 -19.027 -4.401 1.00 0.95 H new ATOM 0 HA MET A 84 -9.437 -17.554 -6.704 1.00 0.91 H new ATOM 0 HB2 MET A 84 -10.767 -19.352 -8.087 1.00 1.14 H new ATOM 0 HB3 MET A 84 -9.097 -19.640 -7.639 1.00 1.14 H new ATOM 0 HG2 MET A 84 -9.745 -21.082 -5.815 1.00 1.34 H new ATOM 0 HG3 MET A 84 -11.431 -20.634 -5.977 1.00 1.34 H new ATOM 0 HE1 MET A 84 -12.633 -22.387 -9.156 1.00 2.71 H new ATOM 0 HE2 MET A 84 -12.823 -21.019 -8.034 1.00 2.71 H new ATOM 0 HE3 MET A 84 -11.733 -20.877 -9.433 1.00 2.71 H new ATOM 792 N ARG A 85 -12.449 -18.231 -5.587 1.00 0.91 N ATOM 793 CA ARG A 85 -13.792 -17.676 -5.479 1.00 0.92 C ATOM 794 C ARG A 85 -13.789 -16.567 -4.435 1.00 0.87 C ATOM 795 O ARG A 85 -14.834 -16.058 -4.030 1.00 1.16 O ATOM 796 CB ARG A 85 -14.795 -18.767 -5.092 1.00 1.03 C ATOM 797 CG ARG A 85 -14.446 -19.478 -3.794 1.00 1.44 C ATOM 798 CD ARG A 85 -15.407 -20.620 -3.506 1.00 1.51 C ATOM 799 NE ARG A 85 -16.778 -20.150 -3.327 1.00 1.72 N ATOM 800 CZ ARG A 85 -17.769 -20.917 -2.879 1.00 1.89 C ATOM 801 NH1 ARG A 85 -17.541 -22.185 -2.566 1.00 1.65 N ATOM 802 NH2 ARG A 85 -18.988 -20.414 -2.742 1.00 2.78 N ATOM 0 H ARG A 85 -12.302 -19.089 -5.056 1.00 0.91 H new ATOM 0 HA ARG A 85 -14.092 -17.268 -6.444 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -15.786 -18.322 -4.998 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -14.850 -19.501 -5.896 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -13.428 -19.864 -3.852 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -14.470 -18.765 -2.970 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -15.374 -21.337 -4.326 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -15.085 -21.147 -2.608 1.00 1.51 H new ATOM 0 HE ARG A 85 -16.988 -19.179 -3.558 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -16.604 -22.575 -2.668 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -18.302 -22.770 -2.223 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -19.167 -19.438 -2.980 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -19.747 -21.003 -2.399 1.00 2.78 H new ATOM 816 N ASN A 86 -12.581 -16.209 -4.012 1.00 0.63 N ATOM 817 CA ASN A 86 -12.366 -15.180 -3.006 1.00 0.62 C ATOM 818 C ASN A 86 -11.387 -14.136 -3.528 1.00 0.53 C ATOM 819 O ASN A 86 -11.474 -12.955 -3.191 1.00 0.53 O ATOM 820 CB ASN A 86 -11.804 -15.832 -1.743 1.00 0.78 C ATOM 821 CG ASN A 86 -12.287 -17.261 -1.583 1.00 1.65 C ATOM 822 OD1 ASN A 86 -11.835 -18.134 -2.480 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -13.063 -17.574 -0.681 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.719 -16.629 -4.361 1.00 0.63 H new ATOM 0 HA ASN A 86 -13.312 -14.688 -2.778 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -10.715 -15.819 -1.781 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -12.099 -15.249 -0.871 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -13.383 -16.870 -0.016 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -13.387 -18.538 -0.598 1.00 1.68 H new ATOM 830 N LYS A 87 -10.450 -14.595 -4.353 1.00 0.53 N ATOM 831 CA LYS A 87 -9.438 -13.730 -4.947 1.00 0.56 C ATOM 832 C LYS A 87 -10.076 -12.507 -5.599 1.00 0.45 C ATOM 833 O LYS A 87 -9.601 -11.388 -5.434 1.00 0.40 O ATOM 834 CB LYS A 87 -8.621 -14.537 -5.969 1.00 0.71 C ATOM 835 CG LYS A 87 -8.237 -13.772 -7.229 1.00 1.06 C ATOM 836 CD LYS A 87 -9.233 -14.005 -8.352 1.00 1.59 C ATOM 837 CE LYS A 87 -9.095 -15.402 -8.917 1.00 1.84 C ATOM 838 NZ LYS A 87 -7.883 -15.541 -9.769 1.00 2.28 N ATOM 0 H LYS A 87 -10.372 -15.574 -4.627 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.773 -13.367 -4.163 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -7.711 -14.893 -5.486 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.194 -15.418 -6.257 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -8.183 -12.706 -7.006 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -7.243 -14.081 -7.554 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -10.247 -13.858 -7.980 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -9.074 -13.272 -9.142 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -9.048 -16.121 -8.099 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -9.981 -15.645 -9.504 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -7.808 -16.521 -10.108 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -7.955 -14.897 -10.583 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -7.038 -15.302 -9.212 1.00 2.28 H new ATOM 852 N PHE A 88 -11.151 -12.736 -6.338 1.00 0.43 N ATOM 853 CA PHE A 88 -11.853 -11.655 -7.022 1.00 0.38 C ATOM 854 C PHE A 88 -12.287 -10.596 -6.023 1.00 0.31 C ATOM 855 O PHE A 88 -12.103 -9.401 -6.237 1.00 0.29 O ATOM 856 CB PHE A 88 -13.065 -12.217 -7.774 1.00 0.41 C ATOM 857 CG PHE A 88 -14.359 -12.214 -7.003 1.00 1.01 C ATOM 858 CD1 PHE A 88 -14.669 -13.253 -6.138 1.00 1.34 C ATOM 859 CD2 PHE A 88 -15.259 -11.169 -7.138 1.00 1.44 C ATOM 860 CE1 PHE A 88 -15.854 -13.250 -5.426 1.00 2.07 C ATOM 861 CE2 PHE A 88 -16.444 -11.160 -6.428 1.00 2.19 C ATOM 862 CZ PHE A 88 -16.752 -12.213 -5.588 1.00 2.49 C ATOM 0 H PHE A 88 -11.558 -13.660 -6.481 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.179 -11.190 -7.742 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.204 -11.640 -8.688 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -12.843 -13.241 -8.075 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -13.977 -14.074 -6.019 1.00 1.34 H new ATOM 0 HD2 PHE A 88 -15.031 -10.352 -7.806 1.00 1.44 H new ATOM 0 HE1 PHE A 88 -16.077 -14.057 -4.744 1.00 2.07 H new ATOM 0 HE2 PHE A 88 -17.129 -10.331 -6.529 1.00 2.19 H new ATOM 0 HZ PHE A 88 -17.693 -12.225 -5.059 1.00 2.49 H new ATOM 872 N ALA A 89 -12.869 -11.063 -4.934 1.00 0.31 N ATOM 873 CA ALA A 89 -13.344 -10.186 -3.865 1.00 0.29 C ATOM 874 C ALA A 89 -12.254 -9.227 -3.376 1.00 0.26 C ATOM 875 O ALA A 89 -12.412 -8.007 -3.444 1.00 0.27 O ATOM 876 CB ALA A 89 -13.870 -11.019 -2.705 1.00 0.35 C ATOM 0 H ALA A 89 -13.028 -12.055 -4.760 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.151 -9.577 -4.274 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.222 -10.358 -1.913 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.694 -11.643 -3.050 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -13.071 -11.653 -2.321 1.00 0.35 H new ATOM 882 N PHE A 90 -11.151 -9.781 -2.883 1.00 0.24 N ATOM 883 CA PHE A 90 -10.049 -8.971 -2.367 1.00 0.24 C ATOM 884 C PHE A 90 -9.370 -8.156 -3.461 1.00 0.21 C ATOM 885 O PHE A 90 -9.152 -6.957 -3.302 1.00 0.22 O ATOM 886 CB PHE A 90 -9.003 -9.861 -1.693 1.00 0.26 C ATOM 887 CG PHE A 90 -7.870 -9.084 -1.088 1.00 0.23 C ATOM 888 CD1 PHE A 90 -7.952 -8.613 0.212 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.728 -8.814 -1.823 1.00 0.27 C ATOM 890 CE1 PHE A 90 -6.916 -7.887 0.767 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.690 -8.089 -1.274 1.00 0.28 C ATOM 892 CZ PHE A 90 -5.783 -7.623 0.022 1.00 0.23 C ATOM 0 H PHE A 90 -10.995 -10.788 -2.829 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.480 -8.280 -1.643 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.485 -10.453 -0.915 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.604 -10.562 -2.426 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -8.836 -8.816 0.798 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.649 -9.175 -2.838 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -6.992 -7.526 1.782 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.805 -7.886 -1.858 1.00 0.28 H new ATOM 0 HZ PHE A 90 -4.972 -7.054 0.452 1.00 0.23 H new ATOM 902 N ARG A 91 -9.048 -8.808 -4.570 1.00 0.19 N ATOM 903 CA ARG A 91 -8.351 -8.148 -5.667 1.00 0.21 C ATOM 904 C ARG A 91 -9.133 -6.926 -6.150 1.00 0.20 C ATOM 905 O ARG A 91 -8.589 -5.825 -6.236 1.00 0.19 O ATOM 906 CB ARG A 91 -8.119 -9.128 -6.822 1.00 0.25 C ATOM 907 CG ARG A 91 -6.724 -9.027 -7.419 1.00 0.34 C ATOM 908 CD ARG A 91 -6.692 -9.487 -8.866 1.00 1.15 C ATOM 909 NE ARG A 91 -6.864 -10.931 -8.993 1.00 1.75 N ATOM 910 CZ ARG A 91 -6.395 -11.640 -10.018 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.725 -11.038 -10.992 1.00 2.91 N ATOM 912 NH2 ARG A 91 -6.593 -12.949 -10.068 1.00 3.34 N ATOM 0 H ARG A 91 -9.258 -9.793 -4.734 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.382 -7.809 -5.300 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.283 -10.145 -6.466 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -8.856 -8.941 -7.603 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.377 -7.995 -7.358 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.033 -9.631 -6.831 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -7.479 -8.979 -9.424 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -5.743 -9.195 -9.317 1.00 1.15 H new ATOM 0 HE ARG A 91 -7.371 -11.423 -8.257 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -5.568 -10.031 -10.956 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -5.366 -11.582 -11.776 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -7.106 -13.416 -9.320 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -6.233 -13.490 -10.854 1.00 3.34 H new ATOM 926 N GLU A 92 -10.408 -7.131 -6.468 1.00 0.25 N ATOM 927 CA GLU A 92 -11.264 -6.036 -6.927 1.00 0.27 C ATOM 928 C GLU A 92 -11.268 -4.899 -5.905 1.00 0.26 C ATOM 929 O GLU A 92 -11.308 -3.727 -6.276 1.00 0.25 O ATOM 930 CB GLU A 92 -12.694 -6.522 -7.197 1.00 0.32 C ATOM 931 CG GLU A 92 -13.518 -6.758 -5.940 1.00 1.17 C ATOM 932 CD GLU A 92 -14.964 -7.096 -6.245 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.710 -6.187 -6.662 1.00 2.25 O ATOM 934 OE2 GLU A 92 -15.349 -8.271 -6.069 1.00 2.58 O ATOM 0 H GLU A 92 -10.871 -8.038 -6.418 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.856 -5.662 -7.866 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.204 -5.788 -7.820 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.649 -7.449 -7.769 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.073 -7.570 -5.365 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.482 -5.867 -5.314 1.00 1.17 H new ATOM 941 N ALA A 93 -11.235 -5.247 -4.617 1.00 0.26 N ATOM 942 CA ALA A 93 -11.205 -4.237 -3.560 1.00 0.26 C ATOM 943 C ALA A 93 -9.962 -3.369 -3.713 1.00 0.23 C ATOM 944 O ALA A 93 -10.000 -2.148 -3.519 1.00 0.22 O ATOM 945 CB ALA A 93 -11.236 -4.895 -2.188 1.00 0.29 C ATOM 0 H ALA A 93 -11.228 -6.211 -4.284 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.089 -3.606 -3.649 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.213 -4.127 -1.415 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.148 -5.484 -2.087 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.369 -5.547 -2.077 1.00 0.29 H new ATOM 951 N ILE A 94 -8.859 -4.014 -4.072 1.00 0.21 N ATOM 952 CA ILE A 94 -7.606 -3.310 -4.286 1.00 0.20 C ATOM 953 C ILE A 94 -7.782 -2.338 -5.434 1.00 0.19 C ATOM 954 O ILE A 94 -7.305 -1.200 -5.400 1.00 0.20 O ATOM 955 CB ILE A 94 -6.468 -4.271 -4.644 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.452 -5.471 -3.709 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.142 -3.547 -4.590 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.509 -6.554 -4.171 1.00 0.24 C ATOM 0 H ILE A 94 -8.809 -5.022 -4.220 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.348 -2.795 -3.361 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.634 -4.635 -5.658 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.163 -5.145 -2.710 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.459 -5.880 -3.632 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.339 -4.238 -4.846 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.149 -2.721 -5.301 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -4.980 -3.159 -3.584 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.537 -7.386 -3.467 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -5.812 -6.903 -5.158 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.495 -6.156 -4.222 1.00 0.24 H new ATOM 970 N ASN A 95 -8.484 -2.813 -6.454 1.00 0.20 N ATOM 971 CA ASN A 95 -8.764 -2.018 -7.629 1.00 0.21 C ATOM 972 C ASN A 95 -9.517 -0.758 -7.214 1.00 0.21 C ATOM 973 O ASN A 95 -9.258 0.325 -7.730 1.00 0.25 O ATOM 974 CB ASN A 95 -9.571 -2.853 -8.628 1.00 0.23 C ATOM 975 CG ASN A 95 -10.712 -2.083 -9.249 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.734 -1.845 -8.449 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.664 -1.695 -10.416 1.00 0.24 N flip ATOM 0 H ASN A 95 -8.871 -3.756 -6.485 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.836 -1.716 -8.114 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -8.908 -3.209 -9.416 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -9.966 -3.734 -8.122 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -9.849 -1.907 -10.991 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.440 -1.161 -10.808 1.00 0.24 H new ATOM 984 N LYS A 96 -10.462 -0.911 -6.278 1.00 0.20 N ATOM 985 CA LYS A 96 -11.222 0.222 -5.774 1.00 0.20 C ATOM 986 C LYS A 96 -10.279 1.326 -5.324 1.00 0.19 C ATOM 987 O LYS A 96 -10.440 2.487 -5.702 1.00 0.20 O ATOM 988 CB LYS A 96 -12.103 -0.216 -4.605 1.00 0.24 C ATOM 989 CG LYS A 96 -13.545 -0.485 -4.992 1.00 0.34 C ATOM 990 CD LYS A 96 -13.656 -1.431 -6.171 1.00 0.76 C ATOM 991 CE LYS A 96 -15.094 -1.582 -6.599 1.00 0.75 C ATOM 992 NZ LYS A 96 -15.217 -2.172 -7.961 1.00 1.64 N ATOM 0 H LYS A 96 -10.712 -1.807 -5.861 1.00 0.20 H new ATOM 0 HA LYS A 96 -11.856 0.602 -6.575 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -11.681 -1.118 -4.162 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.081 0.556 -3.836 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.075 -0.907 -4.139 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.035 0.457 -5.237 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -13.061 -1.054 -7.003 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.247 -2.405 -5.902 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.620 -2.213 -5.883 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -15.581 -0.607 -6.582 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -16.222 -2.257 -8.213 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -14.738 -1.558 -8.650 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -14.776 -3.114 -7.972 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.289 0.956 -4.509 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.316 1.927 -4.025 1.00 0.22 C ATOM 1008 C LEU A 97 -7.599 2.594 -5.191 1.00 0.21 C ATOM 1009 O LEU A 97 -7.229 3.762 -5.115 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.282 1.278 -3.102 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.220 2.247 -2.577 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -6.818 3.182 -1.544 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.035 1.502 -1.991 1.00 0.62 C ATOM 0 H LEU A 97 -9.144 0.003 -4.176 1.00 0.21 H new ATOM 0 HA LEU A 97 -8.866 2.677 -3.456 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -7.799 0.828 -2.254 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -6.787 0.469 -3.640 1.00 0.25 H new ATOM 0 HG LEU A 97 -5.862 2.838 -3.420 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.049 3.864 -1.182 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.627 3.755 -1.997 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.209 2.600 -0.710 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.299 2.218 -1.627 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.371 0.876 -1.165 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.583 0.876 -2.760 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.416 1.849 -6.275 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.737 2.374 -7.457 1.00 0.19 C ATOM 1027 C GLU A 98 -7.453 3.620 -7.976 1.00 0.17 C ATOM 1028 O GLU A 98 -6.870 4.703 -8.040 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.689 1.303 -8.547 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.628 1.540 -9.605 1.00 0.27 C ATOM 1031 CD GLU A 98 -5.932 2.732 -10.490 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -6.738 2.582 -11.433 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -5.366 3.816 -10.240 1.00 0.96 O ATOM 0 H GLU A 98 -7.727 0.881 -6.361 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.719 2.650 -7.182 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.511 0.334 -8.081 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.664 1.250 -9.032 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -4.665 1.692 -9.118 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -5.535 0.648 -10.225 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.722 3.457 -8.341 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.530 4.559 -8.847 1.00 0.17 C ATOM 1042 C ASN A 99 -9.911 5.534 -7.734 1.00 0.21 C ATOM 1043 O ASN A 99 -10.412 6.629 -8.006 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.780 4.019 -9.531 1.00 0.22 C ATOM 1045 CG ASN A 99 -11.344 2.813 -8.819 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.873 1.639 -9.210 1.00 2.12 O flip ATOM 1047 ND2 ASN A 99 -12.188 2.934 -7.931 1.00 0.62 N flip ATOM 0 H ASN A 99 -9.214 2.565 -8.294 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.932 5.108 -9.575 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.537 4.802 -9.571 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -10.542 3.753 -10.561 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -12.519 3.861 -7.665 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -12.556 2.107 -7.461 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.651 5.153 -6.485 1.00 0.17 N ATOM 1055 CA ASN A 100 -9.968 6.016 -5.356 1.00 0.16 C ATOM 1056 C ASN A 100 -8.878 7.065 -5.235 1.00 0.16 C ATOM 1057 O ASN A 100 -9.148 8.248 -5.029 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.078 5.204 -4.062 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.510 5.938 -2.865 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.209 5.790 -2.650 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.229 6.633 -2.148 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.226 4.261 -6.233 1.00 0.17 H new ATOM 0 HA ASN A 100 -10.932 6.497 -5.522 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.125 4.966 -3.874 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.553 4.257 -4.186 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.225 6.717 -2.353 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -9.829 7.125 -1.349 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.638 6.606 -5.368 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.486 7.485 -5.319 1.00 0.25 C ATOM 1070 C LEU A 101 -6.506 8.374 -6.553 1.00 0.23 C ATOM 1071 O LEU A 101 -6.091 9.532 -6.517 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.196 6.660 -5.275 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.156 5.596 -4.178 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.183 4.487 -4.541 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -4.780 6.217 -2.844 1.00 0.58 C ATOM 0 H LEU A 101 -7.409 5.622 -5.511 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.524 8.101 -4.421 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.059 6.173 -6.240 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.353 7.337 -5.137 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.152 5.163 -4.088 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.170 3.740 -3.747 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.496 4.019 -5.474 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.184 4.905 -4.663 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -4.757 5.444 -2.076 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -3.796 6.680 -2.923 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.517 6.974 -2.575 1.00 0.58 H new ATOM 1087 N ARG A 102 -7.008 7.803 -7.646 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.128 8.518 -8.910 1.00 0.23 C ATOM 1089 C ARG A 102 -7.919 9.807 -8.722 1.00 0.24 C ATOM 1090 O ARG A 102 -7.442 10.891 -9.057 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.824 7.638 -9.953 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.908 6.628 -10.622 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.588 5.973 -11.813 1.00 0.38 C ATOM 1094 NE ARG A 102 -6.697 5.061 -12.524 1.00 0.97 N ATOM 1095 CZ ARG A 102 -6.916 4.631 -13.763 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.991 5.034 -14.428 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -6.061 3.798 -14.338 1.00 2.09 N ATOM 0 H ARG A 102 -7.340 6.839 -7.679 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.125 8.765 -9.259 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.646 7.106 -9.474 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -8.262 8.278 -10.719 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.994 7.123 -10.949 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.616 5.864 -9.901 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -8.467 5.427 -11.472 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.938 6.744 -12.499 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.859 4.735 -12.043 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.652 5.675 -13.989 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -8.157 4.703 -15.378 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -5.233 3.486 -13.830 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -6.230 3.469 -15.289 1.00 2.09 H new ATOM 1111 N GLU A 103 -9.131 9.687 -8.188 1.00 0.24 N ATOM 1112 CA GLU A 103 -9.970 10.856 -7.948 1.00 0.24 C ATOM 1113 C GLU A 103 -9.424 11.678 -6.785 1.00 0.24 C ATOM 1114 O GLU A 103 -9.707 12.870 -6.663 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.410 10.423 -7.656 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.366 11.585 -7.430 1.00 0.34 C ATOM 1117 CD GLU A 103 -12.417 12.537 -8.609 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -13.233 12.303 -9.526 1.00 1.82 O ATOM 1119 OE2 GLU A 103 -11.642 13.516 -8.616 1.00 2.32 O ATOM 0 H GLU A 103 -9.552 8.799 -7.915 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.962 11.476 -8.845 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.775 9.821 -8.488 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.415 9.783 -6.774 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -13.366 11.196 -7.239 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.061 12.133 -6.538 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.635 11.030 -5.934 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.046 11.682 -4.773 1.00 0.25 C ATOM 1128 C LEU A 104 -6.847 12.541 -5.167 1.00 0.29 C ATOM 1129 O LEU A 104 -6.420 13.411 -4.406 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.617 10.617 -3.767 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.125 11.136 -2.427 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.279 11.715 -1.641 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.454 10.017 -1.653 1.00 0.24 C ATOM 0 H LEU A 104 -8.388 10.045 -6.030 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.792 12.339 -4.326 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.461 9.950 -3.590 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -6.825 10.017 -4.216 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.393 11.926 -2.595 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -7.917 12.085 -0.682 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.725 12.537 -2.201 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.029 10.942 -1.472 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.104 10.397 -0.693 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.169 9.211 -1.485 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.607 9.637 -2.224 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.305 12.288 -6.356 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.151 13.037 -6.850 1.00 0.51 C ATOM 1147 C GLN A 105 -5.392 14.535 -6.770 1.00 0.45 C ATOM 1148 O GLN A 105 -6.532 14.984 -6.648 1.00 1.00 O ATOM 1149 CB GLN A 105 -4.825 12.646 -8.294 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.349 12.356 -8.523 1.00 0.44 C ATOM 1151 CD GLN A 105 -2.967 10.949 -8.122 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -3.659 10.414 -7.128 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.058 10.351 -8.697 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.646 11.570 -6.996 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.303 12.785 -6.213 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.407 11.765 -8.564 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -5.137 13.451 -8.960 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.111 12.508 -9.576 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -2.750 13.068 -7.955 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -1.552 10.803 -9.458 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -1.811 9.403 -8.412 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.409 12.514 2.770 1.00 0.45 N ATOM 1343 CA PHE A 121 -12.100 11.229 2.156 1.00 0.36 C ATOM 1344 C PHE A 121 -12.577 10.059 3.011 1.00 0.31 C ATOM 1345 O PHE A 121 -11.861 9.069 3.170 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.591 11.103 1.906 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.903 12.383 1.488 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.621 13.369 0.830 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.555 12.609 1.753 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -10.015 14.549 0.442 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.947 13.787 1.367 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.595 14.720 0.731 1.00 0.31 C ATOM 0 HA PHE A 121 -12.632 11.191 1.206 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -10.117 10.734 2.815 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.427 10.351 1.134 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.668 13.213 0.618 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.978 11.854 2.267 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.576 15.323 -0.061 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.903 13.939 1.599 1.00 0.26 H new ATOM 0 HZ PHE A 121 -8.083 15.618 0.418 1.00 0.31 H new ATOM 1362 N SER A 122 -13.783 10.168 3.562 1.00 0.32 N ATOM 1363 CA SER A 122 -14.333 9.094 4.376 1.00 0.34 C ATOM 1364 C SER A 122 -14.600 7.872 3.510 1.00 0.29 C ATOM 1365 O SER A 122 -14.795 6.768 4.018 1.00 0.32 O ATOM 1366 CB SER A 122 -15.622 9.529 5.072 1.00 0.42 C ATOM 1367 OG SER A 122 -15.408 10.676 5.877 1.00 1.26 O ATOM 0 H SER A 122 -14.391 10.981 3.460 1.00 0.32 H new ATOM 0 HA SER A 122 -13.601 8.844 5.144 1.00 0.34 H new ATOM 0 HB2 SER A 122 -16.387 9.743 4.326 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.998 8.713 5.689 1.00 0.42 H new ATOM 0 HG SER A 122 -16.249 10.934 6.309 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.617 8.077 2.196 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.837 6.983 1.266 1.00 0.29 C ATOM 1375 C LYS A 123 -13.610 6.093 1.263 1.00 0.24 C ATOM 1376 O LYS A 123 -13.714 4.868 1.291 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.123 7.508 -0.140 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.398 8.333 -0.234 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.149 9.811 0.028 1.00 0.91 C ATOM 1380 CE LYS A 123 -15.252 10.422 -1.033 1.00 1.81 C ATOM 1381 NZ LYS A 123 -14.797 11.791 -0.658 1.00 2.58 N ATOM 0 H LYS A 123 -14.481 8.987 1.756 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.708 6.409 1.583 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.281 8.117 -0.470 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.195 6.664 -0.826 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.835 8.210 -1.225 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.126 7.956 0.485 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.100 10.342 0.051 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.690 9.935 1.009 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -14.384 9.781 -1.187 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -15.789 10.465 -1.981 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -13.979 12.057 -1.243 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -15.570 12.469 -0.815 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -14.524 11.803 0.345 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.444 6.728 1.222 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.182 6.022 1.265 1.00 0.20 C ATOM 1397 C LEU A 124 -11.099 5.235 2.569 1.00 0.16 C ATOM 1398 O LEU A 124 -10.364 4.256 2.681 1.00 0.16 O ATOM 1399 CB LEU A 124 -10.038 7.042 1.160 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.618 6.476 1.077 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.608 5.125 0.396 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.716 7.440 0.325 1.00 0.25 C ATOM 0 H LEU A 124 -12.354 7.742 1.158 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.101 5.323 0.433 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.211 7.658 0.277 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.091 7.703 2.025 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.245 6.349 2.093 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.586 4.748 0.351 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.228 4.428 0.961 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -9.003 5.224 -0.615 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.708 7.028 0.271 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.102 7.588 -0.684 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.690 8.396 0.847 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.883 5.676 3.549 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.935 5.026 4.850 1.00 0.22 C ATOM 1416 C LEU A 125 -12.699 3.710 4.742 1.00 0.24 C ATOM 1417 O LEU A 125 -12.239 2.665 5.211 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.618 5.951 5.868 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.982 5.992 7.260 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -11.780 4.587 7.812 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -10.666 6.751 7.215 1.00 1.30 C ATOM 0 H LEU A 125 -12.495 6.488 3.463 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.919 4.818 5.187 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.627 6.963 5.463 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.658 5.641 5.973 1.00 0.28 H new ATOM 0 HG LEU A 125 -12.662 6.516 7.932 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -11.327 4.647 8.802 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -12.743 4.082 7.884 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -11.125 4.025 7.146 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -10.224 6.773 8.211 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -9.983 6.254 6.526 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -10.846 7.771 6.876 1.00 1.30 H new ATOM 1433 N SER A 126 -13.872 3.773 4.115 1.00 0.28 N ATOM 1434 CA SER A 126 -14.705 2.591 3.926 1.00 0.34 C ATOM 1435 C SER A 126 -14.034 1.606 2.973 1.00 0.28 C ATOM 1436 O SER A 126 -14.200 0.391 3.095 1.00 0.29 O ATOM 1437 CB SER A 126 -16.078 2.991 3.383 1.00 0.44 C ATOM 1438 OG SER A 126 -16.753 3.850 4.287 1.00 1.40 O ATOM 0 H SER A 126 -14.266 4.631 3.730 1.00 0.28 H new ATOM 0 HA SER A 126 -14.834 2.106 4.893 1.00 0.34 H new ATOM 0 HB2 SER A 126 -15.961 3.490 2.421 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.678 2.098 3.208 1.00 0.44 H new ATOM 0 HG SER A 126 -17.627 4.093 3.917 1.00 1.40 H new ATOM 1444 N SER A 127 -13.273 2.144 2.026 1.00 0.25 N ATOM 1445 CA SER A 127 -12.571 1.328 1.042 1.00 0.25 C ATOM 1446 C SER A 127 -11.476 0.492 1.698 1.00 0.21 C ATOM 1447 O SER A 127 -11.306 -0.683 1.380 1.00 0.23 O ATOM 1448 CB SER A 127 -11.962 2.220 -0.042 1.00 0.31 C ATOM 1449 OG SER A 127 -12.969 2.930 -0.744 1.00 1.09 O ATOM 0 H SER A 127 -13.126 3.148 1.919 1.00 0.25 H new ATOM 0 HA SER A 127 -13.295 0.650 0.590 1.00 0.25 H new ATOM 0 HB2 SER A 127 -11.265 2.925 0.412 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.389 1.610 -0.740 1.00 0.31 H new ATOM 0 HG SER A 127 -13.319 3.648 -0.176 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.748 1.105 2.625 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.661 0.426 3.321 1.00 0.30 C ATOM 1457 C VAL A 128 -10.184 -0.744 4.144 1.00 0.29 C ATOM 1458 O VAL A 128 -9.743 -1.886 3.980 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.905 1.404 4.244 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.036 0.654 5.242 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.067 2.367 3.418 1.00 0.48 C ATOM 0 H VAL A 128 -10.891 2.073 2.912 1.00 0.23 H new ATOM 0 HA VAL A 128 -8.975 0.047 2.563 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.640 1.978 4.808 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.515 1.368 5.880 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.663 0.008 5.857 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.307 0.047 4.705 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.539 3.051 4.082 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.344 1.805 2.827 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.716 2.936 2.753 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.123 -0.445 5.031 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.721 -1.455 5.892 1.00 0.32 C ATOM 1473 C LYS A 129 -12.247 -2.635 5.081 1.00 0.27 C ATOM 1474 O LYS A 129 -12.171 -3.784 5.516 1.00 0.27 O ATOM 1475 CB LYS A 129 -12.853 -0.831 6.700 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.382 0.120 7.785 1.00 0.50 C ATOM 1477 CD LYS A 129 -11.573 -0.601 8.846 1.00 1.12 C ATOM 1478 CE LYS A 129 -10.430 0.263 9.344 1.00 1.77 C ATOM 1479 NZ LYS A 129 -9.516 -0.489 10.246 1.00 2.69 N ATOM 0 H LYS A 129 -11.489 0.496 5.173 1.00 0.28 H new ATOM 0 HA LYS A 129 -10.951 -1.830 6.567 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.517 -0.294 6.022 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.441 -1.627 7.158 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -11.777 0.910 7.340 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -13.244 0.601 8.248 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -12.220 -0.869 9.681 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -11.178 -1.531 8.437 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -9.866 0.645 8.493 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -10.832 1.127 9.873 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -8.749 0.137 10.564 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -10.048 -0.832 11.072 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -9.112 -1.299 9.734 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.784 -2.341 3.902 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.334 -3.372 3.031 1.00 0.21 C ATOM 1495 C GLU A 130 -12.274 -4.375 2.580 1.00 0.17 C ATOM 1496 O GLU A 130 -12.464 -5.583 2.718 1.00 0.16 O ATOM 1497 CB GLU A 130 -13.998 -2.735 1.809 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.677 -3.738 0.890 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.396 -3.076 -0.268 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -14.754 -2.852 -1.316 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -16.601 -2.779 -0.127 1.00 2.10 O ATOM 0 H GLU A 130 -12.850 -1.395 3.527 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.078 -3.918 3.611 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.736 -2.007 2.146 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.245 -2.187 1.242 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -13.931 -4.431 0.501 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -15.390 -4.328 1.466 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.158 -3.881 2.045 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.097 -4.767 1.567 1.00 0.16 C ATOM 1510 C ILE A 131 -9.644 -5.720 2.669 1.00 0.17 C ATOM 1511 O ILE A 131 -9.652 -6.940 2.489 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.870 -3.983 1.059 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.292 -2.690 0.364 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.057 -4.846 0.106 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.294 -1.568 0.546 1.00 0.27 C ATOM 0 H ILE A 131 -10.966 -2.886 1.932 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.521 -5.332 0.737 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.255 -3.721 1.920 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.424 -2.883 -0.701 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -10.260 -2.374 0.753 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.193 -4.283 -0.247 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -7.719 -5.742 0.626 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -8.676 -5.132 -0.744 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.650 -0.677 0.029 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -8.181 -1.351 1.608 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.331 -1.867 0.132 1.00 0.27 H new ATOM 1527 N SER A 132 -9.247 -5.157 3.807 1.00 0.20 N ATOM 1528 CA SER A 132 -8.804 -5.962 4.940 1.00 0.23 C ATOM 1529 C SER A 132 -9.865 -6.982 5.343 1.00 0.23 C ATOM 1530 O SER A 132 -9.558 -8.149 5.580 1.00 0.26 O ATOM 1531 CB SER A 132 -8.473 -5.065 6.134 1.00 0.27 C ATOM 1532 OG SER A 132 -9.492 -4.106 6.350 1.00 1.02 O ATOM 0 H SER A 132 -9.223 -4.150 3.968 1.00 0.20 H new ATOM 0 HA SER A 132 -7.907 -6.500 4.633 1.00 0.23 H new ATOM 0 HB2 SER A 132 -8.349 -5.676 7.028 1.00 0.27 H new ATOM 0 HB3 SER A 132 -7.524 -4.558 5.960 1.00 0.27 H new ATOM 0 HG SER A 132 -9.257 -3.546 7.119 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.113 -6.532 5.429 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.217 -7.407 5.808 1.00 0.26 C ATOM 1540 C ASP A 133 -12.297 -8.638 4.909 1.00 0.25 C ATOM 1541 O ASP A 133 -12.709 -9.709 5.350 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.538 -6.639 5.747 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.720 -7.484 6.181 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.019 -7.506 7.394 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.349 -8.120 5.310 1.00 0.37 O ATOM 0 H ASP A 133 -11.385 -5.567 5.241 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.034 -7.746 6.828 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.472 -5.757 6.384 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.702 -6.285 4.729 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.896 -8.483 3.652 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.951 -9.585 2.695 1.00 0.16 C ATOM 1552 C ILE A 134 -10.855 -10.625 2.923 1.00 0.16 C ATOM 1553 O ILE A 134 -11.142 -11.818 3.006 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.868 -9.076 1.241 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.047 -8.149 0.940 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.846 -10.248 0.269 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.957 -7.468 -0.409 1.00 0.18 C ATOM 0 H ILE A 134 -11.531 -7.610 3.272 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.915 -10.066 2.860 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.943 -8.512 1.118 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.971 -8.725 0.985 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -13.107 -7.388 1.718 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.787 -9.872 -0.753 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -10.979 -10.876 0.475 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.756 -10.836 0.388 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.827 -6.827 -0.552 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -12.051 -6.864 -0.452 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.928 -8.222 -1.196 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.602 -10.182 3.020 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.487 -11.110 3.218 1.00 0.17 C ATOM 1571 C VAL A 135 -8.669 -11.978 4.463 1.00 0.19 C ATOM 1572 O VAL A 135 -8.388 -13.177 4.442 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.123 -10.383 3.301 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.253 -9.016 3.948 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.118 -11.222 4.070 1.00 0.23 C ATOM 0 H VAL A 135 -9.334 -9.199 2.966 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.488 -11.753 2.338 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.769 -10.242 2.280 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.274 -8.538 3.988 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -7.935 -8.399 3.362 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.644 -9.128 4.959 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.165 -10.695 4.118 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.487 -11.397 5.080 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.979 -12.177 3.564 1.00 0.23 H new ATOM 1585 N GLN A 136 -9.138 -11.368 5.540 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.336 -12.074 6.803 1.00 0.29 C ATOM 1587 C GLN A 136 -10.227 -13.301 6.634 1.00 0.42 C ATOM 1588 O GLN A 136 -10.064 -14.298 7.337 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.916 -11.116 7.838 1.00 0.31 C ATOM 1590 CG GLN A 136 -9.010 -9.925 8.085 1.00 0.37 C ATOM 1591 CD GLN A 136 -9.731 -8.744 8.696 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -9.259 -7.546 8.377 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -10.698 -8.906 9.441 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.391 -10.380 5.568 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.367 -12.433 7.150 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.891 -10.765 7.500 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -10.076 -11.649 8.775 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -8.196 -10.226 8.745 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.559 -9.618 7.141 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -11.024 -9.848 9.656 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -11.173 -8.098 9.843 1.00 0.54 H new