USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 29 HIS : no HE2:sc= -0.619 K(o=-0.87,f=-1.8) USER MOD Set 1.2: A 61 THR OG1 : rot -50:sc= -0.256 USER MOD Set 2.1: A 27 THR OG1 : rot 88:sc= 1.8 USER MOD Set 2.2: A 35 CYS SG : rot -151:sc= 0.359 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.0377 USER MOD Set 3.2: A 17 SER OG : rot -84:sc= 0.292 USER MOD Set 3.3: A 18 CYS SG : rot -96:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 3.44 (180deg=2.65) USER MOD Single : A 13 MET CE :methyl 176:sc= -3.03! (180deg=-3.39!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.028) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 73:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.957 USER MOD Single : A 42 ASN : amide:sc= 1.46 K(o=1.5,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.82 (180deg=1.49) USER MOD Single : A 45 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-3.9) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 1.23 (180deg=1.09) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.15) USER MOD Single : A 64 SER OG : rot -27:sc= 0.263 USER MOD Single : A 70 SER OG : rot 74:sc= 2.17 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 1.99 (180deg=1.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.112 8.123 -12.721 1.00 6.80 N ATOM 2 CA MET A 1 8.211 9.011 -13.891 1.00 6.68 C ATOM 3 C MET A 1 6.847 9.009 -14.572 1.00 5.73 C ATOM 4 O MET A 1 5.976 9.798 -14.224 1.00 6.42 O ATOM 5 CB MET A 1 9.337 8.596 -14.858 1.00 6.92 C ATOM 6 CG MET A 1 10.740 8.842 -14.292 1.00 8.67 C ATOM 7 SD MET A 1 12.070 8.682 -15.508 1.00 9.47 S ATOM 8 CE MET A 1 13.490 9.045 -14.455 1.00 11.16 C ATOM 0 H1 MET A 1 9.066 7.908 -12.367 1.00 6.80 H new ATOM 0 H2 MET A 1 7.563 8.594 -11.973 1.00 6.80 H new ATOM 0 H3 MET A 1 7.637 7.239 -12.995 1.00 6.80 H new ATOM 0 HA MET A 1 8.478 10.018 -13.569 1.00 6.68 H new ATOM 0 HB2 MET A 1 9.229 7.538 -15.098 1.00 6.92 H new ATOM 0 HB3 MET A 1 9.227 9.148 -15.792 1.00 6.92 H new ATOM 0 HG2 MET A 1 10.775 9.843 -13.861 1.00 8.67 H new ATOM 0 HG3 MET A 1 10.920 8.139 -13.479 1.00 8.67 H new ATOM 0 HE1 MET A 1 14.404 8.991 -15.046 1.00 11.16 H new ATOM 0 HE2 MET A 1 13.387 10.047 -14.037 1.00 11.16 H new ATOM 0 HE3 MET A 1 13.538 8.317 -13.645 1.00 11.16 H new ATOM 20 N GLY A 2 6.624 8.032 -15.456 1.00 4.80 N ATOM 21 CA GLY A 2 5.322 7.398 -15.523 1.00 4.30 C ATOM 22 C GLY A 2 5.189 6.470 -14.311 1.00 3.40 C ATOM 23 O GLY A 2 6.116 6.387 -13.494 1.00 3.64 O ATOM 0 H GLY A 2 7.315 7.676 -16.116 1.00 4.80 H new ATOM 0 HA2 GLY A 2 4.531 8.148 -15.518 1.00 4.30 H new ATOM 0 HA3 GLY A 2 5.220 6.833 -16.450 1.00 4.30 H new ATOM 27 N ASP A 3 4.046 5.783 -14.229 1.00 2.97 N ATOM 28 CA ASP A 3 3.642 4.836 -13.202 1.00 2.38 C ATOM 29 C ASP A 3 4.813 4.042 -12.624 1.00 1.47 C ATOM 30 O ASP A 3 5.448 3.270 -13.342 1.00 2.06 O ATOM 31 CB ASP A 3 2.647 3.825 -13.806 1.00 3.14 C ATOM 32 CG ASP A 3 1.428 4.432 -14.483 1.00 4.07 C ATOM 33 OD1 ASP A 3 1.589 5.481 -15.143 1.00 4.97 O ATOM 34 OD2 ASP A 3 0.367 3.775 -14.376 1.00 4.65 O ATOM 0 H ASP A 3 3.324 5.888 -14.942 1.00 2.97 H new ATOM 0 HA ASP A 3 3.197 5.422 -12.398 1.00 2.38 H new ATOM 0 HB2 ASP A 3 3.177 3.210 -14.534 1.00 3.14 H new ATOM 0 HB3 ASP A 3 2.307 3.159 -13.013 1.00 3.14 H new ATOM 39 N GLY A 4 5.030 4.133 -11.311 1.00 1.09 N ATOM 40 CA GLY A 4 5.641 3.034 -10.595 1.00 1.33 C ATOM 41 C GLY A 4 4.560 1.988 -10.319 1.00 1.11 C ATOM 42 O GLY A 4 3.368 2.258 -10.467 1.00 1.49 O ATOM 0 H GLY A 4 4.794 4.944 -10.739 1.00 1.09 H new ATOM 0 HA2 GLY A 4 6.450 2.600 -11.183 1.00 1.33 H new ATOM 0 HA3 GLY A 4 6.079 3.385 -9.660 1.00 1.33 H new ATOM 46 N VAL A 5 4.967 0.785 -9.908 1.00 1.23 N ATOM 47 CA VAL A 5 4.056 -0.278 -9.501 1.00 1.06 C ATOM 48 C VAL A 5 4.597 -0.901 -8.212 1.00 1.03 C ATOM 49 O VAL A 5 5.256 -1.950 -8.194 1.00 1.66 O ATOM 50 CB VAL A 5 3.774 -1.238 -10.674 1.00 1.19 C ATOM 51 CG1 VAL A 5 5.031 -1.827 -11.325 1.00 2.49 C ATOM 52 CG2 VAL A 5 2.799 -2.350 -10.263 1.00 1.77 C ATOM 0 H VAL A 5 5.951 0.522 -9.849 1.00 1.23 H new ATOM 0 HA VAL A 5 3.063 0.097 -9.254 1.00 1.06 H new ATOM 0 HB VAL A 5 3.307 -0.621 -11.441 1.00 1.19 H new ATOM 0 HG11 VAL A 5 4.742 -2.490 -12.140 1.00 2.49 H new ATOM 0 HG12 VAL A 5 5.650 -1.020 -11.716 1.00 2.49 H new ATOM 0 HG13 VAL A 5 5.596 -2.390 -10.582 1.00 2.49 H new ATOM 0 HG21 VAL A 5 2.621 -3.010 -11.112 1.00 1.77 H new ATOM 0 HG22 VAL A 5 3.227 -2.924 -9.441 1.00 1.77 H new ATOM 0 HG23 VAL A 5 1.856 -1.907 -9.944 1.00 1.77 H new ATOM 62 N LEU A 6 4.340 -0.205 -7.104 1.00 1.10 N ATOM 63 CA LEU A 6 4.636 -0.702 -5.779 1.00 1.14 C ATOM 64 C LEU A 6 3.519 -1.654 -5.398 1.00 0.93 C ATOM 65 O LEU A 6 2.598 -1.342 -4.646 1.00 1.06 O ATOM 66 CB LEU A 6 4.855 0.454 -4.801 1.00 1.24 C ATOM 67 CG LEU A 6 5.157 0.006 -3.363 1.00 1.63 C ATOM 68 CD1 LEU A 6 6.318 -0.994 -3.293 1.00 1.92 C ATOM 69 CD2 LEU A 6 5.529 1.253 -2.561 1.00 2.51 C ATOM 0 H LEU A 6 3.918 0.724 -7.111 1.00 1.10 H new ATOM 0 HA LEU A 6 5.574 -1.256 -5.748 1.00 1.14 H new ATOM 0 HB2 LEU A 6 5.680 1.069 -5.160 1.00 1.24 H new ATOM 0 HB3 LEU A 6 3.966 1.085 -4.795 1.00 1.24 H new ATOM 0 HG LEU A 6 4.275 -0.494 -2.962 1.00 1.63 H new ATOM 0 HD11 LEU A 6 6.491 -1.279 -2.255 1.00 1.92 H new ATOM 0 HD12 LEU A 6 6.070 -1.881 -3.876 1.00 1.92 H new ATOM 0 HD13 LEU A 6 7.219 -0.534 -3.698 1.00 1.92 H new ATOM 0 HD21 LEU A 6 5.750 0.971 -1.532 1.00 2.51 H new ATOM 0 HD22 LEU A 6 6.406 1.723 -3.005 1.00 2.51 H new ATOM 0 HD23 LEU A 6 4.696 1.956 -2.573 1.00 2.51 H new ATOM 81 N GLU A 7 3.664 -2.852 -5.943 1.00 0.84 N ATOM 82 CA GLU A 7 2.951 -4.015 -5.500 1.00 0.79 C ATOM 83 C GLU A 7 3.659 -4.477 -4.229 1.00 0.79 C ATOM 84 O GLU A 7 4.867 -4.725 -4.258 1.00 1.10 O ATOM 85 CB GLU A 7 3.045 -5.073 -6.602 1.00 1.19 C ATOM 86 CG GLU A 7 1.736 -5.857 -6.656 1.00 1.00 C ATOM 87 CD GLU A 7 0.644 -5.162 -7.444 1.00 1.06 C ATOM 88 OE1 GLU A 7 0.889 -4.013 -7.864 1.00 2.59 O ATOM 89 OE2 GLU A 7 -0.402 -5.824 -7.652 1.00 1.78 O ATOM 0 H GLU A 7 4.297 -3.035 -6.722 1.00 0.84 H new ATOM 0 HA GLU A 7 1.897 -3.826 -5.298 1.00 0.79 H new ATOM 0 HB2 GLU A 7 3.238 -4.598 -7.564 1.00 1.19 H new ATOM 0 HB3 GLU A 7 3.879 -5.747 -6.406 1.00 1.19 H new ATOM 0 HG2 GLU A 7 1.926 -6.835 -7.099 1.00 1.00 H new ATOM 0 HG3 GLU A 7 1.384 -6.031 -5.639 1.00 1.00 H new ATOM 96 N LEU A 8 2.941 -4.574 -3.113 1.00 0.59 N ATOM 97 CA LEU A 8 3.489 -5.162 -1.899 1.00 0.66 C ATOM 98 C LEU A 8 2.458 -6.095 -1.278 1.00 0.57 C ATOM 99 O LEU A 8 1.268 -5.796 -1.287 1.00 0.58 O ATOM 100 CB LEU A 8 4.059 -4.082 -0.959 1.00 0.89 C ATOM 101 CG LEU A 8 3.125 -2.937 -0.530 1.00 0.74 C ATOM 102 CD1 LEU A 8 2.185 -3.338 0.609 1.00 1.83 C ATOM 103 CD2 LEU A 8 3.973 -1.766 -0.022 1.00 1.76 C ATOM 0 H LEU A 8 1.977 -4.252 -3.027 1.00 0.59 H new ATOM 0 HA LEU A 8 4.353 -5.784 -2.132 1.00 0.66 H new ATOM 0 HB2 LEU A 8 4.416 -4.578 -0.057 1.00 0.89 H new ATOM 0 HB3 LEU A 8 4.929 -3.640 -1.445 1.00 0.89 H new ATOM 0 HG LEU A 8 2.527 -2.672 -1.402 1.00 0.74 H new ATOM 0 HD11 LEU A 8 1.549 -2.492 0.871 1.00 1.83 H new ATOM 0 HD12 LEU A 8 1.563 -4.174 0.290 1.00 1.83 H new ATOM 0 HD13 LEU A 8 2.772 -3.633 1.478 1.00 1.83 H new ATOM 0 HD21 LEU A 8 3.319 -0.949 0.284 1.00 1.76 H new ATOM 0 HD22 LEU A 8 4.570 -2.092 0.830 1.00 1.76 H new ATOM 0 HD23 LEU A 8 4.634 -1.423 -0.818 1.00 1.76 H new ATOM 115 N VAL A 9 2.908 -7.242 -0.771 1.00 0.57 N ATOM 116 CA VAL A 9 2.096 -8.122 0.046 1.00 0.57 C ATOM 117 C VAL A 9 2.082 -7.510 1.442 1.00 0.59 C ATOM 118 O VAL A 9 3.103 -7.485 2.132 1.00 0.80 O ATOM 119 CB VAL A 9 2.652 -9.556 0.008 1.00 0.67 C ATOM 120 CG1 VAL A 9 2.039 -10.442 1.102 1.00 1.54 C ATOM 121 CG2 VAL A 9 2.328 -10.182 -1.354 1.00 1.97 C ATOM 0 H VAL A 9 3.857 -7.584 -0.922 1.00 0.57 H new ATOM 0 HA VAL A 9 1.073 -8.208 -0.321 1.00 0.57 H new ATOM 0 HB VAL A 9 3.728 -9.497 0.175 1.00 0.67 H new ATOM 0 HG11 VAL A 9 2.461 -11.445 1.037 1.00 1.54 H new ATOM 0 HG12 VAL A 9 2.262 -10.018 2.081 1.00 1.54 H new ATOM 0 HG13 VAL A 9 0.959 -10.493 0.966 1.00 1.54 H new ATOM 0 HG21 VAL A 9 2.719 -11.199 -1.389 1.00 1.97 H new ATOM 0 HG22 VAL A 9 1.248 -10.203 -1.497 1.00 1.97 H new ATOM 0 HG23 VAL A 9 2.787 -9.589 -2.145 1.00 1.97 H new ATOM 131 N VAL A 10 0.913 -7.016 1.841 1.00 0.81 N ATOM 132 CA VAL A 10 0.649 -6.560 3.187 1.00 0.72 C ATOM 133 C VAL A 10 0.438 -7.827 4.014 1.00 0.92 C ATOM 134 O VAL A 10 0.215 -8.907 3.465 1.00 1.73 O ATOM 135 CB VAL A 10 -0.630 -5.696 3.198 1.00 0.56 C ATOM 136 CG1 VAL A 10 -0.883 -5.031 4.558 1.00 1.63 C ATOM 137 CG2 VAL A 10 -0.596 -4.581 2.147 1.00 1.57 C ATOM 0 H VAL A 10 0.111 -6.923 1.218 1.00 0.81 H new ATOM 0 HA VAL A 10 1.463 -5.953 3.584 1.00 0.72 H new ATOM 0 HB VAL A 10 -1.432 -6.399 2.972 1.00 0.56 H new ATOM 0 HG11 VAL A 10 -1.795 -4.436 4.508 1.00 1.63 H new ATOM 0 HG12 VAL A 10 -0.992 -5.799 5.324 1.00 1.63 H new ATOM 0 HG13 VAL A 10 -0.042 -4.385 4.809 1.00 1.63 H new ATOM 0 HG21 VAL A 10 -1.519 -4.004 2.198 1.00 1.57 H new ATOM 0 HG22 VAL A 10 0.253 -3.925 2.340 1.00 1.57 H new ATOM 0 HG23 VAL A 10 -0.497 -5.020 1.154 1.00 1.57 H new ATOM 147 N ARG A 11 0.487 -7.727 5.337 1.00 0.66 N ATOM 148 CA ARG A 11 -0.020 -8.799 6.172 1.00 0.67 C ATOM 149 C ARG A 11 -0.792 -8.193 7.332 1.00 0.62 C ATOM 150 O ARG A 11 -0.279 -7.286 7.986 1.00 0.76 O ATOM 151 CB ARG A 11 1.127 -9.680 6.677 1.00 0.84 C ATOM 152 CG ARG A 11 2.108 -10.114 5.580 1.00 1.34 C ATOM 153 CD ARG A 11 3.232 -10.975 6.164 1.00 1.55 C ATOM 154 NE ARG A 11 4.387 -10.990 5.254 1.00 2.94 N ATOM 155 CZ ARG A 11 4.598 -11.839 4.241 1.00 4.17 C ATOM 156 NH1 ARG A 11 3.720 -12.818 3.995 1.00 4.85 N ATOM 157 NH2 ARG A 11 5.681 -11.704 3.472 1.00 5.44 N ATOM 0 H ARG A 11 0.866 -6.928 5.844 1.00 0.66 H new ATOM 0 HA ARG A 11 -0.686 -9.434 5.588 1.00 0.67 H new ATOM 0 HB2 ARG A 11 1.676 -9.139 7.448 1.00 0.84 H new ATOM 0 HB3 ARG A 11 0.708 -10.569 7.149 1.00 0.84 H new ATOM 0 HG2 ARG A 11 1.576 -10.675 4.812 1.00 1.34 H new ATOM 0 HG3 ARG A 11 2.532 -9.234 5.096 1.00 1.34 H new ATOM 0 HD2 ARG A 11 3.531 -10.584 7.136 1.00 1.55 H new ATOM 0 HD3 ARG A 11 2.874 -11.992 6.326 1.00 1.55 H new ATOM 0 HE ARG A 11 5.102 -10.279 5.411 1.00 2.94 H new ATOM 0 HH11 ARG A 11 2.890 -12.917 4.579 1.00 4.85 H new ATOM 0 HH12 ARG A 11 3.881 -13.465 3.223 1.00 4.85 H new ATOM 0 HH21 ARG A 11 6.347 -10.954 3.657 1.00 5.44 H new ATOM 0 HH22 ARG A 11 5.842 -12.351 2.700 1.00 5.44 H new ATOM 171 N GLY A 12 -2.006 -8.700 7.568 1.00 0.82 N ATOM 172 CA GLY A 12 -2.858 -8.331 8.689 1.00 0.96 C ATOM 173 C GLY A 12 -4.152 -7.652 8.238 1.00 1.05 C ATOM 174 O GLY A 12 -4.934 -7.210 9.080 1.00 1.60 O ATOM 0 H GLY A 12 -2.431 -9.401 6.961 1.00 0.82 H new ATOM 0 HA2 GLY A 12 -3.101 -9.223 9.266 1.00 0.96 H new ATOM 0 HA3 GLY A 12 -2.311 -7.661 9.352 1.00 0.96 H new ATOM 178 N MET A 13 -4.418 -7.575 6.929 1.00 1.16 N ATOM 179 CA MET A 13 -5.673 -7.017 6.454 1.00 1.18 C ATOM 180 C MET A 13 -6.771 -8.050 6.693 1.00 1.19 C ATOM 181 O MET A 13 -7.046 -8.889 5.834 1.00 2.01 O ATOM 182 CB MET A 13 -5.606 -6.632 4.978 1.00 1.46 C ATOM 183 CG MET A 13 -4.387 -5.810 4.561 1.00 1.01 C ATOM 184 SD MET A 13 -4.136 -5.824 2.770 1.00 1.72 S ATOM 185 CE MET A 13 -5.796 -5.371 2.251 1.00 1.44 C ATOM 0 H MET A 13 -3.785 -7.890 6.194 1.00 1.16 H new ATOM 0 HA MET A 13 -5.886 -6.099 7.002 1.00 1.18 H new ATOM 0 HB2 MET A 13 -5.627 -7.545 4.382 1.00 1.46 H new ATOM 0 HB3 MET A 13 -6.504 -6.068 4.728 1.00 1.46 H new ATOM 0 HG2 MET A 13 -4.510 -4.782 4.901 1.00 1.01 H new ATOM 0 HG3 MET A 13 -3.499 -6.205 5.054 1.00 1.01 H new ATOM 0 HE1 MET A 13 -5.820 -5.259 1.167 1.00 1.44 H new ATOM 0 HE2 MET A 13 -6.496 -6.150 2.551 1.00 1.44 H new ATOM 0 HE3 MET A 13 -6.079 -4.429 2.720 1.00 1.44 H new ATOM 195 N THR A 14 -7.353 -8.009 7.890 1.00 0.82 N ATOM 196 CA THR A 14 -8.320 -8.991 8.355 1.00 1.09 C ATOM 197 C THR A 14 -9.741 -8.681 7.856 1.00 1.27 C ATOM 198 O THR A 14 -10.542 -9.592 7.663 1.00 2.51 O ATOM 199 CB THR A 14 -8.207 -9.114 9.886 1.00 1.25 C ATOM 200 OG1 THR A 14 -9.008 -10.172 10.363 1.00 2.16 O ATOM 201 CG2 THR A 14 -8.580 -7.830 10.635 1.00 1.11 C ATOM 0 H THR A 14 -7.159 -7.277 8.574 1.00 0.82 H new ATOM 0 HA THR A 14 -8.092 -9.967 7.926 1.00 1.09 H new ATOM 0 HB THR A 14 -7.154 -9.313 10.085 1.00 1.25 H new ATOM 0 HG1 THR A 14 -8.921 -10.235 11.337 1.00 2.16 H new ATOM 0 HG21 THR A 14 -8.477 -7.992 11.708 1.00 1.11 H new ATOM 0 HG22 THR A 14 -7.918 -7.022 10.324 1.00 1.11 H new ATOM 0 HG23 THR A 14 -9.611 -7.562 10.406 1.00 1.11 H new ATOM 209 N CYS A 15 -10.074 -7.400 7.649 1.00 0.82 N ATOM 210 CA CYS A 15 -11.450 -6.964 7.422 1.00 0.83 C ATOM 211 C CYS A 15 -11.473 -5.668 6.607 1.00 0.76 C ATOM 212 O CYS A 15 -10.533 -4.880 6.710 1.00 1.03 O ATOM 213 CB CYS A 15 -12.112 -6.761 8.793 1.00 1.09 C ATOM 214 SG CYS A 15 -13.675 -5.865 8.642 1.00 2.04 S ATOM 0 H CYS A 15 -9.394 -6.640 7.635 1.00 0.82 H new ATOM 0 HA CYS A 15 -11.997 -7.715 6.853 1.00 0.83 H new ATOM 0 HB2 CYS A 15 -12.289 -7.730 9.260 1.00 1.09 H new ATOM 0 HB3 CYS A 15 -11.436 -6.210 9.447 1.00 1.09 H new ATOM 0 HG CYS A 15 -14.205 -5.715 9.820 1.00 2.04 H new ATOM 220 N ALA A 16 -12.556 -5.438 5.846 1.00 0.73 N ATOM 221 CA ALA A 16 -12.898 -4.217 5.108 1.00 0.68 C ATOM 222 C ALA A 16 -12.324 -2.939 5.730 1.00 0.69 C ATOM 223 O ALA A 16 -11.760 -2.098 5.037 1.00 1.18 O ATOM 224 CB ALA A 16 -14.422 -4.095 5.014 1.00 0.78 C ATOM 0 H ALA A 16 -13.268 -6.158 5.723 1.00 0.73 H new ATOM 0 HA ALA A 16 -12.447 -4.312 4.120 1.00 0.68 H new ATOM 0 HB1 ALA A 16 -14.681 -3.189 4.466 1.00 0.78 H new ATOM 0 HB2 ALA A 16 -14.825 -4.963 4.492 1.00 0.78 H new ATOM 0 HB3 ALA A 16 -14.846 -4.046 6.017 1.00 0.78 H new ATOM 230 N SER A 17 -12.476 -2.803 7.046 1.00 0.55 N ATOM 231 CA SER A 17 -11.848 -1.779 7.869 1.00 0.54 C ATOM 232 C SER A 17 -10.391 -1.483 7.482 1.00 0.51 C ATOM 233 O SER A 17 -10.035 -0.361 7.133 1.00 0.66 O ATOM 234 CB SER A 17 -11.908 -2.275 9.308 1.00 0.78 C ATOM 235 OG SER A 17 -11.304 -3.559 9.402 1.00 0.95 O ATOM 0 H SER A 17 -13.067 -3.433 7.589 1.00 0.55 H new ATOM 0 HA SER A 17 -12.384 -0.841 7.726 1.00 0.54 H new ATOM 0 HB2 SER A 17 -11.395 -1.573 9.966 1.00 0.78 H new ATOM 0 HB3 SER A 17 -12.944 -2.326 9.642 1.00 0.78 H new ATOM 0 HG SER A 17 -11.958 -4.247 9.158 1.00 0.95 H new ATOM 241 N CYS A 18 -9.533 -2.499 7.574 1.00 0.67 N ATOM 242 CA CYS A 18 -8.116 -2.414 7.279 1.00 0.70 C ATOM 243 C CYS A 18 -7.962 -1.981 5.836 1.00 0.69 C ATOM 244 O CYS A 18 -7.148 -1.115 5.522 1.00 0.77 O ATOM 245 CB CYS A 18 -7.455 -3.783 7.479 1.00 0.96 C ATOM 246 SG CYS A 18 -7.494 -4.270 9.220 1.00 1.24 S ATOM 0 H CYS A 18 -9.822 -3.432 7.866 1.00 0.67 H new ATOM 0 HA CYS A 18 -7.637 -1.697 7.946 1.00 0.70 H new ATOM 0 HB2 CYS A 18 -7.970 -4.531 6.876 1.00 0.96 H new ATOM 0 HB3 CYS A 18 -6.423 -3.747 7.130 1.00 0.96 H new ATOM 0 HG CYS A 18 -6.370 -3.946 9.786 1.00 1.24 H new ATOM 252 N VAL A 19 -8.778 -2.587 4.971 1.00 0.70 N ATOM 253 CA VAL A 19 -8.798 -2.286 3.558 1.00 0.76 C ATOM 254 C VAL A 19 -8.974 -0.776 3.334 1.00 0.74 C ATOM 255 O VAL A 19 -8.028 -0.094 2.934 1.00 0.83 O ATOM 256 CB VAL A 19 -9.826 -3.188 2.844 1.00 0.79 C ATOM 257 CG1 VAL A 19 -10.487 -2.570 1.609 1.00 0.85 C ATOM 258 CG2 VAL A 19 -9.220 -4.543 2.489 1.00 1.11 C ATOM 0 H VAL A 19 -9.447 -3.307 5.246 1.00 0.70 H new ATOM 0 HA VAL A 19 -7.839 -2.523 3.096 1.00 0.76 H new ATOM 0 HB VAL A 19 -10.626 -3.315 3.574 1.00 0.79 H new ATOM 0 HG11 VAL A 19 -11.192 -3.282 1.179 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -11.017 -1.662 1.896 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -9.723 -2.326 0.871 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -9.969 -5.156 1.987 1.00 1.11 H new ATOM 0 HG22 VAL A 19 -8.367 -4.398 1.827 1.00 1.11 H new ATOM 0 HG23 VAL A 19 -8.891 -5.044 3.399 1.00 1.11 H new ATOM 268 N HIS A 20 -10.160 -0.228 3.616 1.00 0.67 N ATOM 269 CA HIS A 20 -10.413 1.170 3.280 1.00 0.73 C ATOM 270 C HIS A 20 -9.540 2.096 4.127 1.00 0.70 C ATOM 271 O HIS A 20 -9.167 3.176 3.666 1.00 0.69 O ATOM 272 CB HIS A 20 -11.906 1.531 3.303 1.00 0.77 C ATOM 273 CG HIS A 20 -12.491 1.868 4.651 1.00 0.68 C ATOM 274 ND1 HIS A 20 -13.269 2.961 4.966 1.00 0.96 N ATOM 275 CD2 HIS A 20 -12.440 1.078 5.759 1.00 1.04 C ATOM 276 CE1 HIS A 20 -13.659 2.817 6.245 1.00 0.90 C ATOM 277 NE2 HIS A 20 -13.177 1.684 6.775 1.00 1.06 N ATOM 0 H HIS A 20 -10.937 -0.716 4.062 1.00 0.67 H new ATOM 0 HA HIS A 20 -10.117 1.322 2.242 1.00 0.73 H new ATOM 0 HB2 HIS A 20 -12.063 2.382 2.640 1.00 0.77 H new ATOM 0 HB3 HIS A 20 -12.467 0.694 2.886 1.00 0.77 H new ATOM 0 HD2 HIS A 20 -11.915 0.137 5.838 1.00 1.04 H new ATOM 0 HE1 HIS A 20 -14.280 3.523 6.776 1.00 0.90 H new ATOM 0 HE2 HIS A 20 -13.320 1.338 7.724 1.00 1.06 H new ATOM 285 N LYS A 21 -9.178 1.671 5.346 1.00 0.72 N ATOM 286 CA LYS A 21 -8.218 2.404 6.148 1.00 0.66 C ATOM 287 C LYS A 21 -6.926 2.603 5.360 1.00 0.64 C ATOM 288 O LYS A 21 -6.495 3.742 5.226 1.00 0.70 O ATOM 289 CB LYS A 21 -7.974 1.731 7.508 1.00 0.67 C ATOM 290 CG LYS A 21 -6.946 2.459 8.388 1.00 0.58 C ATOM 291 CD LYS A 21 -7.327 3.931 8.593 1.00 2.14 C ATOM 292 CE LYS A 21 -6.410 4.622 9.608 1.00 2.62 C ATOM 293 NZ LYS A 21 -6.659 6.075 9.676 1.00 4.38 N ATOM 0 H LYS A 21 -9.540 0.826 5.787 1.00 0.72 H new ATOM 0 HA LYS A 21 -8.633 3.387 6.371 1.00 0.66 H new ATOM 0 HB2 LYS A 21 -8.920 1.669 8.047 1.00 0.67 H new ATOM 0 HB3 LYS A 21 -7.635 0.709 7.341 1.00 0.67 H new ATOM 0 HG2 LYS A 21 -6.876 1.962 9.355 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -5.961 2.398 7.926 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -7.274 4.456 7.639 1.00 2.14 H new ATOM 0 HD3 LYS A 21 -8.360 3.995 8.935 1.00 2.14 H new ATOM 0 HE2 LYS A 21 -6.562 4.181 10.593 1.00 2.62 H new ATOM 0 HE3 LYS A 21 -5.369 4.444 9.337 1.00 2.62 H new ATOM 0 HZ1 LYS A 21 -6.019 6.505 10.374 1.00 4.38 H new ATOM 0 HZ2 LYS A 21 -6.489 6.500 8.742 1.00 4.38 H new ATOM 0 HZ3 LYS A 21 -7.645 6.245 9.960 1.00 4.38 H new ATOM 307 N ILE A 22 -6.299 1.540 4.845 1.00 0.57 N ATOM 308 CA ILE A 22 -5.071 1.670 4.062 1.00 0.55 C ATOM 309 C ILE A 22 -5.284 2.607 2.883 1.00 0.56 C ATOM 310 O ILE A 22 -4.524 3.565 2.736 1.00 0.55 O ATOM 311 CB ILE A 22 -4.543 0.298 3.623 1.00 0.46 C ATOM 312 CG1 ILE A 22 -3.945 -0.385 4.858 1.00 0.41 C ATOM 313 CG2 ILE A 22 -3.498 0.426 2.503 1.00 0.60 C ATOM 314 CD1 ILE A 22 -3.466 -1.796 4.557 1.00 0.58 C ATOM 0 H ILE A 22 -6.624 0.580 4.958 1.00 0.57 H new ATOM 0 HA ILE A 22 -4.304 2.113 4.697 1.00 0.55 H new ATOM 0 HB ILE A 22 -5.358 -0.299 3.215 1.00 0.46 H new ATOM 0 HG12 ILE A 22 -3.110 0.209 5.231 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.692 -0.418 5.651 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -3.147 -0.566 2.218 1.00 0.60 H new ATOM 0 HG22 ILE A 22 -3.949 0.914 1.639 1.00 0.60 H new ATOM 0 HG23 ILE A 22 -2.656 1.021 2.857 1.00 0.60 H new ATOM 0 HD11 ILE A 22 -3.050 -2.240 5.462 1.00 0.58 H new ATOM 0 HD12 ILE A 22 -4.305 -2.399 4.210 1.00 0.58 H new ATOM 0 HD13 ILE A 22 -2.699 -1.763 3.784 1.00 0.58 H new ATOM 326 N GLU A 23 -6.295 2.347 2.051 1.00 0.61 N ATOM 327 CA GLU A 23 -6.499 3.165 0.865 1.00 0.61 C ATOM 328 C GLU A 23 -6.607 4.640 1.265 1.00 0.51 C ATOM 329 O GLU A 23 -5.857 5.479 0.768 1.00 0.53 O ATOM 330 CB GLU A 23 -7.692 2.658 0.044 1.00 0.74 C ATOM 331 CG GLU A 23 -7.525 1.162 -0.274 1.00 1.13 C ATOM 332 CD GLU A 23 -8.353 0.694 -1.466 1.00 2.06 C ATOM 333 OE1 GLU A 23 -9.339 1.389 -1.788 1.00 2.53 O ATOM 334 OE2 GLU A 23 -7.990 -0.368 -2.022 1.00 3.26 O ATOM 0 H GLU A 23 -6.969 1.592 2.176 1.00 0.61 H new ATOM 0 HA GLU A 23 -5.636 3.079 0.205 1.00 0.61 H new ATOM 0 HB2 GLU A 23 -8.617 2.818 0.598 1.00 0.74 H new ATOM 0 HB3 GLU A 23 -7.773 3.227 -0.882 1.00 0.74 H new ATOM 0 HG2 GLU A 23 -6.473 0.956 -0.470 1.00 1.13 H new ATOM 0 HG3 GLU A 23 -7.805 0.579 0.603 1.00 1.13 H new ATOM 341 N SER A 24 -7.474 4.949 2.232 1.00 0.46 N ATOM 342 CA SER A 24 -7.621 6.292 2.782 1.00 0.47 C ATOM 343 C SER A 24 -6.289 6.834 3.326 1.00 0.47 C ATOM 344 O SER A 24 -5.955 7.997 3.115 1.00 0.64 O ATOM 345 CB SER A 24 -8.709 6.267 3.867 1.00 0.55 C ATOM 346 OG SER A 24 -9.001 7.570 4.342 1.00 0.95 O ATOM 0 H SER A 24 -8.099 4.264 2.657 1.00 0.46 H new ATOM 0 HA SER A 24 -7.923 6.973 1.986 1.00 0.47 H new ATOM 0 HB2 SER A 24 -9.615 5.814 3.464 1.00 0.55 H new ATOM 0 HB3 SER A 24 -8.382 5.641 4.697 1.00 0.55 H new ATOM 0 HG SER A 24 -9.698 7.519 5.029 1.00 0.95 H new ATOM 352 N SER A 25 -5.546 6.011 4.066 1.00 0.42 N ATOM 353 CA SER A 25 -4.302 6.388 4.726 1.00 0.53 C ATOM 354 C SER A 25 -3.218 6.744 3.725 1.00 0.57 C ATOM 355 O SER A 25 -2.438 7.656 3.988 1.00 1.03 O ATOM 356 CB SER A 25 -3.837 5.248 5.634 1.00 0.68 C ATOM 357 OG SER A 25 -4.736 5.117 6.719 1.00 2.45 O ATOM 0 H SER A 25 -5.803 5.037 4.226 1.00 0.42 H new ATOM 0 HA SER A 25 -4.493 7.278 5.326 1.00 0.53 H new ATOM 0 HB2 SER A 25 -3.790 4.316 5.071 1.00 0.68 H new ATOM 0 HB3 SER A 25 -2.831 5.449 6.003 1.00 0.68 H new ATOM 0 HG SER A 25 -5.574 4.718 6.403 1.00 2.45 H new ATOM 363 N LEU A 26 -3.107 6.012 2.618 1.00 0.38 N ATOM 364 CA LEU A 26 -2.185 6.414 1.573 1.00 0.43 C ATOM 365 C LEU A 26 -2.710 7.626 0.799 1.00 0.49 C ATOM 366 O LEU A 26 -1.945 8.553 0.523 1.00 0.57 O ATOM 367 CB LEU A 26 -1.817 5.272 0.634 1.00 0.59 C ATOM 368 CG LEU A 26 -1.409 3.970 1.335 1.00 0.83 C ATOM 369 CD1 LEU A 26 -1.796 2.788 0.443 1.00 2.28 C ATOM 370 CD2 LEU A 26 0.098 3.961 1.599 1.00 1.56 C ATOM 0 H LEU A 26 -3.633 5.159 2.429 1.00 0.38 H new ATOM 0 HA LEU A 26 -1.263 6.708 2.075 1.00 0.43 H new ATOM 0 HB2 LEU A 26 -2.667 5.067 -0.017 1.00 0.59 H new ATOM 0 HB3 LEU A 26 -0.996 5.596 -0.006 1.00 0.59 H new ATOM 0 HG LEU A 26 -1.924 3.892 2.293 1.00 0.83 H new ATOM 0 HD11 LEU A 26 -1.511 1.856 0.930 1.00 2.28 H new ATOM 0 HD12 LEU A 26 -2.873 2.796 0.276 1.00 2.28 H new ATOM 0 HD13 LEU A 26 -1.280 2.870 -0.514 1.00 2.28 H new ATOM 0 HD21 LEU A 26 0.375 3.032 2.097 1.00 1.56 H new ATOM 0 HD22 LEU A 26 0.634 4.039 0.653 1.00 1.56 H new ATOM 0 HD23 LEU A 26 0.361 4.806 2.236 1.00 1.56 H new ATOM 382 N THR A 27 -3.997 7.607 0.417 1.00 0.54 N ATOM 383 CA THR A 27 -4.622 8.626 -0.430 1.00 0.73 C ATOM 384 C THR A 27 -4.724 9.961 0.313 1.00 1.07 C ATOM 385 O THR A 27 -5.797 10.394 0.725 1.00 2.60 O ATOM 386 CB THR A 27 -5.972 8.139 -0.976 1.00 0.68 C ATOM 387 OG1 THR A 27 -5.797 6.862 -1.549 1.00 1.37 O ATOM 388 CG2 THR A 27 -6.503 9.053 -2.086 1.00 1.44 C ATOM 0 H THR A 27 -4.641 6.867 0.696 1.00 0.54 H new ATOM 0 HA THR A 27 -3.985 8.799 -1.298 1.00 0.73 H new ATOM 0 HB THR A 27 -6.677 8.130 -0.145 1.00 0.68 H new ATOM 0 HG1 THR A 27 -5.916 6.175 -0.860 1.00 1.37 H new ATOM 0 HG21 THR A 27 -7.460 8.672 -2.444 1.00 1.44 H new ATOM 0 HG22 THR A 27 -6.637 10.061 -1.694 1.00 1.44 H new ATOM 0 HG23 THR A 27 -5.790 9.076 -2.910 1.00 1.44 H new ATOM 396 N LYS A 28 -3.564 10.594 0.471 1.00 0.85 N ATOM 397 CA LYS A 28 -3.291 11.754 1.298 1.00 0.66 C ATOM 398 C LYS A 28 -1.840 12.223 1.111 1.00 0.57 C ATOM 399 O LYS A 28 -1.602 13.424 1.168 1.00 0.73 O ATOM 400 CB LYS A 28 -3.646 11.486 2.776 1.00 0.73 C ATOM 401 CG LYS A 28 -2.748 10.480 3.497 1.00 1.76 C ATOM 402 CD LYS A 28 -1.637 11.139 4.327 1.00 3.36 C ATOM 403 CE LYS A 28 -0.865 10.049 5.085 1.00 4.60 C ATOM 404 NZ LYS A 28 0.171 10.611 5.976 1.00 6.17 N ATOM 0 H LYS A 28 -2.726 10.279 -0.018 1.00 0.85 H new ATOM 0 HA LYS A 28 -3.935 12.571 0.973 1.00 0.66 H new ATOM 0 HB2 LYS A 28 -3.610 12.431 3.317 1.00 0.73 H new ATOM 0 HB3 LYS A 28 -4.675 11.129 2.825 1.00 0.73 H new ATOM 0 HG2 LYS A 28 -3.361 9.861 4.151 1.00 1.76 H new ATOM 0 HG3 LYS A 28 -2.296 9.815 2.761 1.00 1.76 H new ATOM 0 HD2 LYS A 28 -0.962 11.696 3.677 1.00 3.36 H new ATOM 0 HD3 LYS A 28 -2.066 11.854 5.029 1.00 3.36 H new ATOM 0 HE2 LYS A 28 -1.564 9.455 5.674 1.00 4.60 H new ATOM 0 HE3 LYS A 28 -0.397 9.374 4.369 1.00 4.60 H new ATOM 0 HZ1 LYS A 28 0.665 9.838 6.466 1.00 6.17 H new ATOM 0 HZ2 LYS A 28 0.854 11.156 5.413 1.00 6.17 H new ATOM 0 HZ3 LYS A 28 -0.276 11.235 6.678 1.00 6.17 H new ATOM 418 N HIS A 29 -0.865 11.313 0.901 1.00 0.50 N ATOM 419 CA HIS A 29 0.540 11.705 0.749 1.00 0.70 C ATOM 420 C HIS A 29 0.740 12.768 -0.342 1.00 1.29 C ATOM 421 O HIS A 29 1.075 13.903 -0.019 1.00 2.95 O ATOM 422 CB HIS A 29 1.431 10.489 0.462 1.00 0.62 C ATOM 423 CG HIS A 29 1.472 9.452 1.549 1.00 0.46 C ATOM 424 ND1 HIS A 29 2.243 9.517 2.684 1.00 1.02 N ATOM 425 CD2 HIS A 29 0.915 8.202 1.500 1.00 0.84 C ATOM 426 CE1 HIS A 29 2.109 8.340 3.313 1.00 0.88 C ATOM 427 NE2 HIS A 29 1.312 7.502 2.640 1.00 0.78 N ATOM 0 H HIS A 29 -1.030 10.309 0.834 1.00 0.50 H new ATOM 0 HA HIS A 29 0.836 12.146 1.701 1.00 0.70 H new ATOM 0 HB2 HIS A 29 1.086 10.015 -0.457 1.00 0.62 H new ATOM 0 HB3 HIS A 29 2.447 10.839 0.278 1.00 0.62 H new ATOM 0 HD1 HIS A 29 2.809 10.309 2.990 1.00 1.02 H new ATOM 0 HD2 HIS A 29 0.278 7.823 0.714 1.00 0.84 H new ATOM 0 HE1 HIS A 29 2.587 8.098 4.251 1.00 0.88 H new ATOM 435 N ARG A 30 0.558 12.357 -1.608 1.00 1.02 N ATOM 436 CA ARG A 30 0.543 13.107 -2.874 1.00 1.07 C ATOM 437 C ARG A 30 1.405 12.475 -3.972 1.00 0.92 C ATOM 438 O ARG A 30 1.317 12.926 -5.111 1.00 1.20 O ATOM 439 CB ARG A 30 0.946 14.594 -2.744 1.00 1.47 C ATOM 440 CG ARG A 30 -0.219 15.504 -2.332 1.00 1.93 C ATOM 441 CD ARG A 30 -1.075 15.830 -3.565 1.00 2.32 C ATOM 442 NE ARG A 30 -2.123 16.815 -3.262 1.00 3.28 N ATOM 443 CZ ARG A 30 -2.895 17.401 -4.193 1.00 4.39 C ATOM 444 NH1 ARG A 30 -2.765 17.054 -5.479 1.00 5.10 N ATOM 445 NH2 ARG A 30 -3.790 18.329 -3.836 1.00 5.57 N ATOM 0 H ARG A 30 0.398 11.366 -1.789 1.00 1.02 H new ATOM 0 HA ARG A 30 -0.507 13.057 -3.161 1.00 1.07 H new ATOM 0 HB2 ARG A 30 1.746 14.684 -2.009 1.00 1.47 H new ATOM 0 HB3 ARG A 30 1.348 14.939 -3.696 1.00 1.47 H new ATOM 0 HG2 ARG A 30 -0.828 15.012 -1.573 1.00 1.93 H new ATOM 0 HG3 ARG A 30 0.163 16.423 -1.888 1.00 1.93 H new ATOM 0 HD2 ARG A 30 -0.435 16.214 -4.359 1.00 2.32 H new ATOM 0 HD3 ARG A 30 -1.534 14.915 -3.940 1.00 2.32 H new ATOM 0 HE ARG A 30 -2.274 17.069 -2.286 1.00 3.28 H new ATOM 0 HH11 ARG A 30 -2.082 16.347 -5.750 1.00 5.10 H new ATOM 0 HH12 ARG A 30 -3.349 17.497 -6.188 1.00 5.10 H new ATOM 0 HH21 ARG A 30 -3.887 18.593 -2.856 1.00 5.57 H new ATOM 0 HH22 ARG A 30 -4.375 18.773 -4.544 1.00 5.57 H new ATOM 459 N GLY A 31 2.146 11.397 -3.693 1.00 0.79 N ATOM 460 CA GLY A 31 2.919 10.699 -4.722 1.00 0.81 C ATOM 461 C GLY A 31 2.320 9.345 -5.082 1.00 0.67 C ATOM 462 O GLY A 31 2.991 8.479 -5.644 1.00 0.90 O ATOM 0 H GLY A 31 2.226 10.990 -2.761 1.00 0.79 H new ATOM 0 HA2 GLY A 31 2.971 11.319 -5.617 1.00 0.81 H new ATOM 0 HA3 GLY A 31 3.942 10.559 -4.372 1.00 0.81 H new ATOM 466 N ILE A 32 1.047 9.171 -4.730 1.00 0.72 N ATOM 467 CA ILE A 32 0.286 7.952 -4.885 1.00 0.59 C ATOM 468 C ILE A 32 -0.841 8.224 -5.883 1.00 0.59 C ATOM 469 O ILE A 32 -1.627 9.147 -5.682 1.00 0.79 O ATOM 470 CB ILE A 32 -0.174 7.440 -3.502 1.00 0.67 C ATOM 471 CG1 ILE A 32 -1.463 8.051 -2.917 1.00 2.51 C ATOM 472 CG2 ILE A 32 0.975 7.464 -2.485 1.00 2.47 C ATOM 473 CD1 ILE A 32 -1.373 9.535 -2.544 1.00 4.04 C ATOM 0 H ILE A 32 0.499 9.921 -4.308 1.00 0.72 H new ATOM 0 HA ILE A 32 0.884 7.140 -5.297 1.00 0.59 H new ATOM 0 HB ILE A 32 -0.466 6.410 -3.706 1.00 0.67 H new ATOM 0 HG12 ILE A 32 -2.267 7.923 -3.641 1.00 2.51 H new ATOM 0 HG13 ILE A 32 -1.742 7.486 -2.028 1.00 2.51 H new ATOM 0 HG21 ILE A 32 0.617 7.098 -1.523 1.00 2.47 H new ATOM 0 HG22 ILE A 32 1.786 6.826 -2.837 1.00 2.47 H new ATOM 0 HG23 ILE A 32 1.339 8.485 -2.372 1.00 2.47 H new ATOM 0 HD11 ILE A 32 -2.330 9.868 -2.142 1.00 4.04 H new ATOM 0 HD12 ILE A 32 -0.596 9.675 -1.793 1.00 4.04 H new ATOM 0 HD13 ILE A 32 -1.129 10.119 -3.431 1.00 4.04 H new ATOM 485 N LEU A 33 -0.887 7.470 -6.983 1.00 0.51 N ATOM 486 CA LEU A 33 -1.882 7.653 -8.032 1.00 0.59 C ATOM 487 C LEU A 33 -3.056 6.708 -7.811 1.00 0.56 C ATOM 488 O LEU A 33 -4.200 7.081 -8.054 1.00 0.63 O ATOM 489 CB LEU A 33 -1.250 7.437 -9.416 1.00 0.69 C ATOM 490 CG LEU A 33 0.055 8.224 -9.640 1.00 0.77 C ATOM 491 CD1 LEU A 33 0.603 7.907 -11.035 1.00 1.40 C ATOM 492 CD2 LEU A 33 -0.160 9.737 -9.504 1.00 1.13 C ATOM 0 H LEU A 33 -0.230 6.712 -7.169 1.00 0.51 H new ATOM 0 HA LEU A 33 -2.255 8.676 -7.991 1.00 0.59 H new ATOM 0 HB2 LEU A 33 -1.048 6.374 -9.550 1.00 0.69 H new ATOM 0 HB3 LEU A 33 -1.971 7.724 -10.182 1.00 0.69 H new ATOM 0 HG LEU A 33 0.768 7.920 -8.874 1.00 0.77 H new ATOM 0 HD11 LEU A 33 1.527 8.462 -11.198 1.00 1.40 H new ATOM 0 HD12 LEU A 33 0.803 6.838 -11.113 1.00 1.40 H new ATOM 0 HD13 LEU A 33 -0.131 8.195 -11.788 1.00 1.40 H new ATOM 0 HD21 LEU A 33 0.785 10.255 -9.669 1.00 1.13 H new ATOM 0 HD22 LEU A 33 -0.890 10.069 -10.243 1.00 1.13 H new ATOM 0 HD23 LEU A 33 -0.528 9.964 -8.503 1.00 1.13 H new ATOM 504 N TYR A 34 -2.785 5.479 -7.361 1.00 0.50 N ATOM 505 CA TYR A 34 -3.810 4.506 -7.071 1.00 0.51 C ATOM 506 C TYR A 34 -3.231 3.521 -6.065 1.00 0.53 C ATOM 507 O TYR A 34 -2.008 3.436 -5.943 1.00 0.56 O ATOM 508 CB TYR A 34 -4.261 3.832 -8.373 1.00 0.65 C ATOM 509 CG TYR A 34 -5.599 3.154 -8.260 1.00 0.69 C ATOM 510 CD1 TYR A 34 -6.707 3.891 -7.815 1.00 2.01 C ATOM 511 CD2 TYR A 34 -5.731 1.786 -8.546 1.00 2.02 C ATOM 512 CE1 TYR A 34 -7.908 3.236 -7.520 1.00 2.08 C ATOM 513 CE2 TYR A 34 -6.967 1.154 -8.354 1.00 2.11 C ATOM 514 CZ TYR A 34 -8.044 1.863 -7.794 1.00 1.08 C ATOM 515 OH TYR A 34 -9.205 1.212 -7.508 1.00 1.37 O ATOM 0 H TYR A 34 -1.838 5.142 -7.191 1.00 0.50 H new ATOM 0 HA TYR A 34 -4.698 4.965 -6.637 1.00 0.51 H new ATOM 0 HB2 TYR A 34 -4.306 4.580 -9.164 1.00 0.65 H new ATOM 0 HB3 TYR A 34 -3.513 3.097 -8.671 1.00 0.65 H new ATOM 0 HD1 TYR A 34 -6.633 4.962 -7.700 1.00 2.01 H new ATOM 0 HD2 TYR A 34 -4.885 1.224 -8.912 1.00 2.02 H new ATOM 0 HE1 TYR A 34 -8.729 3.784 -7.083 1.00 2.08 H new ATOM 0 HE2 TYR A 34 -7.092 0.119 -8.637 1.00 2.11 H new ATOM 0 HH TYR A 34 -9.123 0.270 -7.764 1.00 1.37 H new ATOM 525 N CYS A 35 -4.090 2.832 -5.316 1.00 0.64 N ATOM 526 CA CYS A 35 -3.705 2.137 -4.094 1.00 0.66 C ATOM 527 C CYS A 35 -4.673 0.994 -3.810 1.00 0.90 C ATOM 528 O CYS A 35 -5.287 0.941 -2.754 1.00 1.83 O ATOM 529 CB CYS A 35 -3.644 3.152 -2.941 1.00 0.77 C ATOM 530 SG CYS A 35 -5.254 3.952 -2.702 1.00 2.78 S ATOM 0 H CYS A 35 -5.080 2.741 -5.544 1.00 0.64 H new ATOM 0 HA CYS A 35 -2.717 1.692 -4.207 1.00 0.66 H new ATOM 0 HB2 CYS A 35 -3.343 2.648 -2.022 1.00 0.77 H new ATOM 0 HB3 CYS A 35 -2.886 3.906 -3.154 1.00 0.77 H new ATOM 0 HG CYS A 35 -5.077 5.149 -2.227 1.00 2.78 H new ATOM 536 N SER A 36 -4.790 0.049 -4.746 1.00 0.65 N ATOM 537 CA SER A 36 -5.809 -0.985 -4.644 1.00 0.67 C ATOM 538 C SER A 36 -5.346 -2.056 -3.662 1.00 0.57 C ATOM 539 O SER A 36 -4.466 -2.850 -4.002 1.00 0.59 O ATOM 540 CB SER A 36 -6.134 -1.576 -6.019 1.00 0.82 C ATOM 541 OG SER A 36 -7.382 -2.241 -5.997 1.00 1.55 O ATOM 0 H SER A 36 -4.196 -0.017 -5.573 1.00 0.65 H new ATOM 0 HA SER A 36 -6.732 -0.545 -4.266 1.00 0.67 H new ATOM 0 HB2 SER A 36 -6.153 -0.782 -6.766 1.00 0.82 H new ATOM 0 HB3 SER A 36 -5.350 -2.273 -6.315 1.00 0.82 H new ATOM 0 HG SER A 36 -7.572 -2.610 -6.885 1.00 1.55 H new ATOM 547 N VAL A 37 -5.897 -2.065 -2.447 1.00 0.53 N ATOM 548 CA VAL A 37 -5.501 -3.009 -1.415 1.00 0.51 C ATOM 549 C VAL A 37 -6.450 -4.219 -1.411 1.00 0.54 C ATOM 550 O VAL A 37 -7.530 -4.207 -0.823 1.00 0.64 O ATOM 551 CB VAL A 37 -5.273 -2.269 -0.077 1.00 0.59 C ATOM 552 CG1 VAL A 37 -6.519 -2.095 0.789 1.00 1.23 C ATOM 553 CG2 VAL A 37 -4.141 -2.936 0.707 1.00 1.51 C ATOM 0 H VAL A 37 -6.629 -1.417 -2.157 1.00 0.53 H new ATOM 0 HA VAL A 37 -4.529 -3.456 -1.622 1.00 0.51 H new ATOM 0 HB VAL A 37 -4.989 -1.252 -0.349 1.00 0.59 H new ATOM 0 HG11 VAL A 37 -6.255 -1.565 1.704 1.00 1.23 H new ATOM 0 HG12 VAL A 37 -7.266 -1.521 0.240 1.00 1.23 H new ATOM 0 HG13 VAL A 37 -6.926 -3.074 1.041 1.00 1.23 H new ATOM 0 HG21 VAL A 37 -3.989 -2.407 1.648 1.00 1.51 H new ATOM 0 HG22 VAL A 37 -4.403 -3.974 0.913 1.00 1.51 H new ATOM 0 HG23 VAL A 37 -3.223 -2.903 0.120 1.00 1.51 H new ATOM 563 N ALA A 38 -6.057 -5.293 -2.103 1.00 0.59 N ATOM 564 CA ALA A 38 -6.886 -6.464 -2.287 1.00 0.66 C ATOM 565 C ALA A 38 -6.627 -7.450 -1.151 1.00 0.62 C ATOM 566 O ALA A 38 -5.716 -8.277 -1.227 1.00 0.66 O ATOM 567 CB ALA A 38 -6.601 -7.063 -3.665 1.00 0.78 C ATOM 0 H ALA A 38 -5.144 -5.364 -2.551 1.00 0.59 H new ATOM 0 HA ALA A 38 -7.944 -6.204 -2.253 1.00 0.66 H new ATOM 0 HB1 ALA A 38 -7.222 -7.947 -3.813 1.00 0.78 H new ATOM 0 HB2 ALA A 38 -6.828 -6.327 -4.436 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -5.550 -7.343 -3.730 1.00 0.78 H new ATOM 573 N LEU A 39 -7.467 -7.383 -0.113 1.00 0.62 N ATOM 574 CA LEU A 39 -7.522 -8.325 1.005 1.00 0.65 C ATOM 575 C LEU A 39 -7.406 -9.775 0.548 1.00 0.70 C ATOM 576 O LEU A 39 -6.721 -10.568 1.195 1.00 0.77 O ATOM 577 CB LEU A 39 -8.821 -8.088 1.788 1.00 0.74 C ATOM 578 CG LEU A 39 -9.004 -8.988 3.023 1.00 0.87 C ATOM 579 CD1 LEU A 39 -9.747 -8.212 4.119 1.00 1.53 C ATOM 580 CD2 LEU A 39 -9.809 -10.257 2.707 1.00 1.63 C ATOM 0 H LEU A 39 -8.157 -6.637 -0.027 1.00 0.62 H new ATOM 0 HA LEU A 39 -6.664 -8.146 1.654 1.00 0.65 H new ATOM 0 HB2 LEU A 39 -8.851 -7.046 2.107 1.00 0.74 H new ATOM 0 HB3 LEU A 39 -9.666 -8.240 1.117 1.00 0.74 H new ATOM 0 HG LEU A 39 -8.008 -9.284 3.352 1.00 0.87 H new ATOM 0 HD11 LEU A 39 -9.876 -8.850 4.993 1.00 1.53 H new ATOM 0 HD12 LEU A 39 -9.169 -7.330 4.396 1.00 1.53 H new ATOM 0 HD13 LEU A 39 -10.724 -7.904 3.748 1.00 1.53 H new ATOM 0 HD21 LEU A 39 -9.910 -10.858 3.611 1.00 1.63 H new ATOM 0 HD22 LEU A 39 -10.798 -9.979 2.343 1.00 1.63 H new ATOM 0 HD23 LEU A 39 -9.291 -10.836 1.942 1.00 1.63 H new ATOM 592 N ALA A 40 -8.041 -10.099 -0.584 1.00 0.76 N ATOM 593 CA ALA A 40 -8.080 -11.440 -1.157 1.00 0.87 C ATOM 594 C ALA A 40 -6.675 -12.007 -1.353 1.00 0.92 C ATOM 595 O ALA A 40 -6.460 -13.207 -1.215 1.00 1.07 O ATOM 596 CB ALA A 40 -8.816 -11.389 -2.498 1.00 0.95 C ATOM 0 H ALA A 40 -8.554 -9.414 -1.138 1.00 0.76 H new ATOM 0 HA ALA A 40 -8.606 -12.098 -0.465 1.00 0.87 H new ATOM 0 HB1 ALA A 40 -8.849 -12.388 -2.933 1.00 0.95 H new ATOM 0 HB2 ALA A 40 -9.832 -11.027 -2.342 1.00 0.95 H new ATOM 0 HB3 ALA A 40 -8.291 -10.716 -3.176 1.00 0.95 H new ATOM 602 N THR A 41 -5.728 -11.130 -1.686 1.00 0.84 N ATOM 603 CA THR A 41 -4.326 -11.450 -1.898 1.00 0.91 C ATOM 604 C THR A 41 -3.469 -10.725 -0.849 1.00 0.85 C ATOM 605 O THR A 41 -2.256 -10.631 -1.018 1.00 0.96 O ATOM 606 CB THR A 41 -3.978 -11.097 -3.359 1.00 0.96 C ATOM 607 OG1 THR A 41 -2.596 -11.194 -3.632 1.00 1.72 O ATOM 608 CG2 THR A 41 -4.505 -9.735 -3.810 1.00 1.50 C ATOM 0 H THR A 41 -5.930 -10.139 -1.819 1.00 0.84 H new ATOM 0 HA THR A 41 -4.117 -12.511 -1.762 1.00 0.91 H new ATOM 0 HB THR A 41 -4.499 -11.855 -3.944 1.00 0.96 H new ATOM 0 HG1 THR A 41 -2.087 -11.011 -2.815 1.00 1.72 H new ATOM 0 HG21 THR A 41 -4.220 -9.560 -4.847 1.00 1.50 H new ATOM 0 HG22 THR A 41 -5.592 -9.719 -3.725 1.00 1.50 H new ATOM 0 HG23 THR A 41 -4.080 -8.954 -3.180 1.00 1.50 H new ATOM 616 N ASN A 42 -4.108 -10.211 0.215 1.00 0.74 N ATOM 617 CA ASN A 42 -3.570 -9.309 1.231 1.00 0.74 C ATOM 618 C ASN A 42 -2.458 -8.423 0.660 1.00 0.70 C ATOM 619 O ASN A 42 -1.360 -8.366 1.200 1.00 0.80 O ATOM 620 CB ASN A 42 -3.193 -10.104 2.505 1.00 0.99 C ATOM 621 CG ASN A 42 -4.023 -9.701 3.728 1.00 1.28 C ATOM 622 OD1 ASN A 42 -3.495 -9.199 4.724 1.00 2.88 O ATOM 623 ND2 ASN A 42 -5.335 -9.938 3.674 1.00 1.38 N ATOM 0 H ASN A 42 -5.087 -10.436 0.395 1.00 0.74 H new ATOM 0 HA ASN A 42 -4.339 -8.603 1.544 1.00 0.74 H new ATOM 0 HB2 ASN A 42 -3.328 -11.169 2.316 1.00 0.99 H new ATOM 0 HB3 ASN A 42 -2.136 -9.951 2.723 1.00 0.99 H new ATOM 0 HD21 ASN A 42 -5.929 -9.703 4.469 1.00 1.38 H new ATOM 0 HD22 ASN A 42 -5.744 -10.354 2.837 1.00 1.38 H new ATOM 630 N LYS A 43 -2.722 -7.739 -0.457 1.00 0.61 N ATOM 631 CA LYS A 43 -1.686 -7.015 -1.190 1.00 0.60 C ATOM 632 C LYS A 43 -2.174 -5.628 -1.570 1.00 0.54 C ATOM 633 O LYS A 43 -3.332 -5.463 -1.943 1.00 0.57 O ATOM 634 CB LYS A 43 -1.199 -7.850 -2.389 1.00 0.69 C ATOM 635 CG LYS A 43 -0.629 -7.064 -3.584 1.00 0.82 C ATOM 636 CD LYS A 43 -1.732 -6.720 -4.602 1.00 0.93 C ATOM 637 CE LYS A 43 -1.995 -7.897 -5.544 1.00 1.06 C ATOM 638 NZ LYS A 43 -0.868 -8.141 -6.463 1.00 1.49 N ATOM 0 H LYS A 43 -3.651 -7.673 -0.873 1.00 0.61 H new ATOM 0 HA LYS A 43 -0.817 -6.864 -0.549 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -0.432 -8.539 -2.036 1.00 0.69 H new ATOM 0 HB3 LYS A 43 -2.033 -8.456 -2.745 1.00 0.69 H new ATOM 0 HG2 LYS A 43 -0.160 -6.147 -3.229 1.00 0.82 H new ATOM 0 HG3 LYS A 43 0.149 -7.652 -4.071 1.00 0.82 H new ATOM 0 HD2 LYS A 43 -2.650 -6.459 -4.075 1.00 0.93 H new ATOM 0 HD3 LYS A 43 -1.437 -5.845 -5.181 1.00 0.93 H new ATOM 0 HE2 LYS A 43 -2.182 -8.795 -4.956 1.00 1.06 H new ATOM 0 HE3 LYS A 43 -2.897 -7.701 -6.123 1.00 1.06 H new ATOM 0 HZ1 LYS A 43 -1.032 -9.025 -6.986 1.00 1.49 H new ATOM 0 HZ2 LYS A 43 -0.790 -7.351 -7.134 1.00 1.49 H new ATOM 0 HZ3 LYS A 43 0.014 -8.220 -5.917 1.00 1.49 H new ATOM 652 N ALA A 44 -1.267 -4.652 -1.491 1.00 0.54 N ATOM 653 CA ALA A 44 -1.450 -3.294 -1.957 1.00 0.55 C ATOM 654 C ALA A 44 -0.829 -3.188 -3.344 1.00 0.51 C ATOM 655 O ALA A 44 0.391 -3.246 -3.474 1.00 0.54 O ATOM 656 CB ALA A 44 -0.810 -2.313 -0.970 1.00 0.63 C ATOM 0 H ALA A 44 -0.346 -4.804 -1.080 1.00 0.54 H new ATOM 0 HA ALA A 44 -2.508 -3.040 -2.019 1.00 0.55 H new ATOM 0 HB1 ALA A 44 -0.952 -1.293 -1.327 1.00 0.63 H new ATOM 0 HB2 ALA A 44 -1.278 -2.423 0.008 1.00 0.63 H new ATOM 0 HB3 ALA A 44 0.256 -2.524 -0.887 1.00 0.63 H new ATOM 662 N HIS A 45 -1.672 -3.048 -4.367 1.00 0.51 N ATOM 663 CA HIS A 45 -1.277 -2.596 -5.686 1.00 0.49 C ATOM 664 C HIS A 45 -1.237 -1.076 -5.630 1.00 0.52 C ATOM 665 O HIS A 45 -2.264 -0.423 -5.832 1.00 0.63 O ATOM 666 CB HIS A 45 -2.271 -3.136 -6.723 1.00 0.52 C ATOM 667 CG HIS A 45 -1.870 -2.931 -8.161 1.00 0.54 C ATOM 668 ND1 HIS A 45 -1.651 -3.923 -9.086 1.00 0.64 N ATOM 669 CD2 HIS A 45 -1.432 -1.764 -8.713 1.00 0.68 C ATOM 670 CE1 HIS A 45 -1.144 -3.344 -10.188 1.00 0.73 C ATOM 671 NE2 HIS A 45 -1.008 -2.017 -10.020 1.00 0.77 N ATOM 0 H HIS A 45 -2.669 -3.252 -4.292 1.00 0.51 H new ATOM 0 HA HIS A 45 -0.295 -2.964 -5.984 1.00 0.49 H new ATOM 0 HB2 HIS A 45 -2.409 -4.203 -6.549 1.00 0.52 H new ATOM 0 HB3 HIS A 45 -3.237 -2.659 -6.560 1.00 0.52 H new ATOM 0 HD1 HIS A 45 -1.839 -4.918 -8.960 1.00 0.64 H new ATOM 0 HD2 HIS A 45 -1.415 -0.803 -8.221 1.00 0.68 H new ATOM 0 HE1 HIS A 45 -0.880 -3.875 -11.091 1.00 0.73 H new ATOM 679 N ILE A 46 -0.060 -0.512 -5.341 1.00 0.53 N ATOM 680 CA ILE A 46 0.112 0.925 -5.249 1.00 0.49 C ATOM 681 C ILE A 46 0.817 1.440 -6.497 1.00 0.64 C ATOM 682 O ILE A 46 2.019 1.252 -6.701 1.00 1.20 O ATOM 683 CB ILE A 46 0.786 1.343 -3.936 1.00 0.47 C ATOM 684 CG1 ILE A 46 0.016 0.704 -2.768 1.00 0.66 C ATOM 685 CG2 ILE A 46 0.763 2.878 -3.823 1.00 0.77 C ATOM 686 CD1 ILE A 46 0.668 1.001 -1.428 1.00 0.96 C ATOM 0 H ILE A 46 0.792 -1.044 -5.166 1.00 0.53 H new ATOM 0 HA ILE A 46 -0.868 1.401 -5.215 1.00 0.49 H new ATOM 0 HB ILE A 46 1.823 1.007 -3.911 1.00 0.47 H new ATOM 0 HG12 ILE A 46 -1.009 1.075 -2.763 1.00 0.66 H new ATOM 0 HG13 ILE A 46 -0.036 -0.375 -2.915 1.00 0.66 H new ATOM 0 HG21 ILE A 46 1.241 3.181 -2.891 1.00 0.77 H new ATOM 0 HG22 ILE A 46 1.301 3.313 -4.665 1.00 0.77 H new ATOM 0 HG23 ILE A 46 -0.269 3.228 -3.832 1.00 0.77 H new ATOM 0 HD11 ILE A 46 0.092 0.531 -0.631 1.00 0.96 H new ATOM 0 HD12 ILE A 46 1.684 0.607 -1.422 1.00 0.96 H new ATOM 0 HD13 ILE A 46 0.696 2.079 -1.268 1.00 0.96 H new ATOM 698 N LYS A 47 0.057 2.173 -7.305 1.00 0.46 N ATOM 699 CA LYS A 47 0.580 2.943 -8.410 1.00 0.46 C ATOM 700 C LYS A 47 1.185 4.209 -7.809 1.00 0.47 C ATOM 701 O LYS A 47 0.618 5.297 -7.900 1.00 1.02 O ATOM 702 CB LYS A 47 -0.572 3.268 -9.362 1.00 0.54 C ATOM 703 CG LYS A 47 -0.970 2.091 -10.260 1.00 0.71 C ATOM 704 CD LYS A 47 -0.062 2.067 -11.495 1.00 1.45 C ATOM 705 CE LYS A 47 -0.538 1.048 -12.534 1.00 2.00 C ATOM 706 NZ LYS A 47 0.175 1.235 -13.814 1.00 2.92 N ATOM 0 H LYS A 47 -0.955 2.245 -7.202 1.00 0.46 H new ATOM 0 HA LYS A 47 1.340 2.405 -8.977 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -1.439 3.580 -8.779 1.00 0.54 H new ATOM 0 HB3 LYS A 47 -0.288 4.114 -9.988 1.00 0.54 H new ATOM 0 HG2 LYS A 47 -0.882 1.154 -9.711 1.00 0.71 H new ATOM 0 HG3 LYS A 47 -2.013 2.186 -10.563 1.00 0.71 H new ATOM 0 HD2 LYS A 47 -0.035 3.059 -11.945 1.00 1.45 H new ATOM 0 HD3 LYS A 47 0.957 1.827 -11.192 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -0.370 0.037 -12.163 1.00 2.00 H new ATOM 0 HE3 LYS A 47 -1.611 1.155 -12.691 1.00 2.00 H new ATOM 0 HZ1 LYS A 47 -0.479 1.061 -14.604 1.00 2.92 H new ATOM 0 HZ2 LYS A 47 0.536 2.209 -13.871 1.00 2.92 H new ATOM 0 HZ3 LYS A 47 0.970 0.567 -13.869 1.00 2.92 H new ATOM 720 N TYR A 48 2.322 4.049 -7.134 1.00 0.94 N ATOM 721 CA TYR A 48 3.117 5.172 -6.670 1.00 0.91 C ATOM 722 C TYR A 48 3.887 5.774 -7.843 1.00 0.67 C ATOM 723 O TYR A 48 4.068 5.110 -8.867 1.00 0.84 O ATOM 724 CB TYR A 48 4.045 4.750 -5.521 1.00 1.09 C ATOM 725 CG TYR A 48 5.386 4.128 -5.888 1.00 1.06 C ATOM 726 CD1 TYR A 48 5.488 3.112 -6.859 1.00 1.85 C ATOM 727 CD2 TYR A 48 6.544 4.544 -5.204 1.00 1.91 C ATOM 728 CE1 TYR A 48 6.737 2.532 -7.149 1.00 2.04 C ATOM 729 CE2 TYR A 48 7.785 3.959 -5.489 1.00 1.98 C ATOM 730 CZ TYR A 48 7.886 2.961 -6.466 1.00 1.46 C ATOM 731 OH TYR A 48 9.099 2.404 -6.738 1.00 1.71 O ATOM 0 H TYR A 48 2.713 3.137 -6.896 1.00 0.94 H new ATOM 0 HA TYR A 48 2.457 5.942 -6.270 1.00 0.91 H new ATOM 0 HB2 TYR A 48 4.240 5.629 -4.907 1.00 1.09 H new ATOM 0 HB3 TYR A 48 3.504 4.038 -4.897 1.00 1.09 H new ATOM 0 HD1 TYR A 48 4.605 2.777 -7.382 1.00 1.85 H new ATOM 0 HD2 TYR A 48 6.475 5.319 -4.455 1.00 1.91 H new ATOM 0 HE1 TYR A 48 6.812 1.757 -7.897 1.00 2.04 H new ATOM 0 HE2 TYR A 48 8.667 4.279 -4.953 1.00 1.98 H new ATOM 0 HH TYR A 48 9.784 2.820 -6.174 1.00 1.71 H new ATOM 741 N ASP A 49 4.372 7.006 -7.681 1.00 0.70 N ATOM 742 CA ASP A 49 5.332 7.601 -8.599 1.00 0.79 C ATOM 743 C ASP A 49 6.646 7.862 -7.843 1.00 0.63 C ATOM 744 O ASP A 49 6.690 8.770 -7.008 1.00 0.72 O ATOM 745 CB ASP A 49 4.748 8.878 -9.205 1.00 1.23 C ATOM 746 CG ASP A 49 5.746 9.522 -10.153 1.00 2.05 C ATOM 747 OD1 ASP A 49 6.542 8.753 -10.737 1.00 3.06 O ATOM 748 OD2 ASP A 49 5.706 10.760 -10.287 1.00 3.08 O ATOM 0 H ASP A 49 4.107 7.616 -6.908 1.00 0.70 H new ATOM 0 HA ASP A 49 5.545 6.923 -9.425 1.00 0.79 H new ATOM 0 HB2 ASP A 49 3.827 8.646 -9.740 1.00 1.23 H new ATOM 0 HB3 ASP A 49 4.487 9.578 -8.411 1.00 1.23 H new ATOM 753 N PRO A 50 7.703 7.056 -8.063 1.00 0.64 N ATOM 754 CA PRO A 50 8.890 7.068 -7.219 1.00 0.69 C ATOM 755 C PRO A 50 9.533 8.449 -7.097 1.00 0.86 C ATOM 756 O PRO A 50 10.073 8.771 -6.039 1.00 1.75 O ATOM 757 CB PRO A 50 9.851 6.012 -7.775 1.00 0.76 C ATOM 758 CG PRO A 50 9.287 5.650 -9.147 1.00 0.86 C ATOM 759 CD PRO A 50 7.802 5.995 -9.050 1.00 0.84 C ATOM 0 HA PRO A 50 8.613 6.823 -6.194 1.00 0.69 H new ATOM 0 HB2 PRO A 50 10.865 6.404 -7.856 1.00 0.76 H new ATOM 0 HB3 PRO A 50 9.898 5.139 -7.124 1.00 0.76 H new ATOM 0 HG2 PRO A 50 9.776 6.217 -9.940 1.00 0.86 H new ATOM 0 HG3 PRO A 50 9.436 4.594 -9.372 1.00 0.86 H new ATOM 0 HD2 PRO A 50 7.413 6.321 -10.015 1.00 0.84 H new ATOM 0 HD3 PRO A 50 7.218 5.125 -8.749 1.00 0.84 H new ATOM 767 N GLU A 51 9.464 9.278 -8.146 1.00 0.95 N ATOM 768 CA GLU A 51 10.051 10.612 -8.112 1.00 1.06 C ATOM 769 C GLU A 51 9.532 11.447 -6.929 1.00 0.90 C ATOM 770 O GLU A 51 10.240 12.335 -6.458 1.00 1.23 O ATOM 771 CB GLU A 51 9.821 11.382 -9.427 1.00 1.34 C ATOM 772 CG GLU A 51 9.607 10.556 -10.701 1.00 1.59 C ATOM 773 CD GLU A 51 10.659 9.491 -10.957 1.00 2.55 C ATOM 774 OE1 GLU A 51 11.853 9.845 -11.012 1.00 3.07 O ATOM 775 OE2 GLU A 51 10.218 8.340 -11.172 1.00 3.86 O ATOM 0 H GLU A 51 9.006 9.043 -9.027 1.00 0.95 H new ATOM 0 HA GLU A 51 11.122 10.458 -7.982 1.00 1.06 H new ATOM 0 HB2 GLU A 51 8.951 12.025 -9.293 1.00 1.34 H new ATOM 0 HB3 GLU A 51 10.679 12.035 -9.589 1.00 1.34 H new ATOM 0 HG2 GLU A 51 8.630 10.075 -10.645 1.00 1.59 H new ATOM 0 HG3 GLU A 51 9.581 11.233 -11.555 1.00 1.59 H new ATOM 782 N ILE A 52 8.287 11.208 -6.489 1.00 0.81 N ATOM 783 CA ILE A 52 7.580 12.076 -5.550 1.00 0.92 C ATOM 784 C ILE A 52 7.205 11.382 -4.244 1.00 0.92 C ATOM 785 O ILE A 52 6.681 12.034 -3.342 1.00 1.32 O ATOM 786 CB ILE A 52 6.354 12.711 -6.226 1.00 1.04 C ATOM 787 CG1 ILE A 52 5.482 11.685 -6.964 1.00 1.85 C ATOM 788 CG2 ILE A 52 6.836 13.763 -7.220 1.00 1.60 C ATOM 789 CD1 ILE A 52 4.241 12.329 -7.592 1.00 2.48 C ATOM 0 H ILE A 52 7.742 10.397 -6.781 1.00 0.81 H new ATOM 0 HA ILE A 52 8.276 12.867 -5.269 1.00 0.92 H new ATOM 0 HB ILE A 52 5.738 13.154 -5.444 1.00 1.04 H new ATOM 0 HG12 ILE A 52 6.072 11.201 -7.742 1.00 1.85 H new ATOM 0 HG13 ILE A 52 5.172 10.905 -6.268 1.00 1.85 H new ATOM 0 HG21 ILE A 52 5.977 14.223 -7.708 1.00 1.60 H new ATOM 0 HG22 ILE A 52 7.406 14.528 -6.693 1.00 1.60 H new ATOM 0 HG23 ILE A 52 7.470 13.291 -7.971 1.00 1.60 H new ATOM 0 HD11 ILE A 52 3.654 11.566 -8.103 1.00 2.48 H new ATOM 0 HD12 ILE A 52 3.636 12.790 -6.811 1.00 2.48 H new ATOM 0 HD13 ILE A 52 4.549 13.090 -8.309 1.00 2.48 H new ATOM 801 N ILE A 53 7.485 10.088 -4.104 1.00 0.69 N ATOM 802 CA ILE A 53 7.306 9.397 -2.840 1.00 0.59 C ATOM 803 C ILE A 53 8.208 8.168 -2.865 1.00 0.86 C ATOM 804 O ILE A 53 8.220 7.444 -3.859 1.00 2.30 O ATOM 805 CB ILE A 53 5.813 9.071 -2.622 1.00 0.48 C ATOM 806 CG1 ILE A 53 5.571 8.700 -1.162 1.00 0.82 C ATOM 807 CG2 ILE A 53 5.315 7.990 -3.578 1.00 0.85 C ATOM 808 CD1 ILE A 53 4.086 8.590 -0.826 1.00 1.18 C ATOM 0 H ILE A 53 7.838 9.499 -4.858 1.00 0.69 H new ATOM 0 HA ILE A 53 7.594 10.014 -1.989 1.00 0.59 H new ATOM 0 HB ILE A 53 5.231 9.964 -2.851 1.00 0.48 H new ATOM 0 HG12 ILE A 53 6.061 7.750 -0.946 1.00 0.82 H new ATOM 0 HG13 ILE A 53 6.031 9.450 -0.519 1.00 0.82 H new ATOM 0 HG21 ILE A 53 4.260 7.794 -3.388 1.00 0.85 H new ATOM 0 HG22 ILE A 53 5.442 8.328 -4.607 1.00 0.85 H new ATOM 0 HG23 ILE A 53 5.888 7.076 -3.423 1.00 0.85 H new ATOM 0 HD11 ILE A 53 3.969 8.324 0.225 1.00 1.18 H new ATOM 0 HD12 ILE A 53 3.599 9.547 -1.014 1.00 1.18 H new ATOM 0 HD13 ILE A 53 3.628 7.821 -1.448 1.00 1.18 H new ATOM 820 N GLY A 54 8.997 7.930 -1.815 1.00 0.88 N ATOM 821 CA GLY A 54 9.835 6.752 -1.791 1.00 0.77 C ATOM 822 C GLY A 54 8.954 5.542 -1.498 1.00 0.58 C ATOM 823 O GLY A 54 7.912 5.674 -0.854 1.00 0.60 O ATOM 0 H GLY A 54 9.066 8.529 -0.992 1.00 0.88 H new ATOM 0 HA2 GLY A 54 10.344 6.629 -2.747 1.00 0.77 H new ATOM 0 HA3 GLY A 54 10.608 6.852 -1.029 1.00 0.77 H new ATOM 827 N PRO A 55 9.369 4.338 -1.914 1.00 0.55 N ATOM 828 CA PRO A 55 8.671 3.135 -1.512 1.00 0.59 C ATOM 829 C PRO A 55 8.690 3.041 0.015 1.00 0.59 C ATOM 830 O PRO A 55 7.680 2.719 0.631 1.00 0.58 O ATOM 831 CB PRO A 55 9.402 1.984 -2.209 1.00 0.73 C ATOM 832 CG PRO A 55 10.815 2.525 -2.448 1.00 0.73 C ATOM 833 CD PRO A 55 10.614 4.035 -2.600 1.00 0.67 C ATOM 0 HA PRO A 55 7.620 3.116 -1.799 1.00 0.59 H new ATOM 0 HB2 PRO A 55 9.418 1.089 -1.588 1.00 0.73 H new ATOM 0 HB3 PRO A 55 8.916 1.713 -3.146 1.00 0.73 H new ATOM 0 HG2 PRO A 55 11.477 2.293 -1.614 1.00 0.73 H new ATOM 0 HG3 PRO A 55 11.263 2.090 -3.342 1.00 0.73 H new ATOM 0 HD2 PRO A 55 11.446 4.587 -2.163 1.00 0.67 H new ATOM 0 HD3 PRO A 55 10.561 4.319 -3.651 1.00 0.67 H new ATOM 841 N ARG A 56 9.830 3.393 0.620 1.00 0.67 N ATOM 842 CA ARG A 56 10.007 3.474 2.062 1.00 0.81 C ATOM 843 C ARG A 56 8.870 4.241 2.752 1.00 0.67 C ATOM 844 O ARG A 56 8.373 3.775 3.773 1.00 0.63 O ATOM 845 CB ARG A 56 11.410 4.016 2.388 1.00 1.12 C ATOM 846 CG ARG A 56 11.662 5.459 1.915 1.00 2.90 C ATOM 847 CD ARG A 56 11.482 6.465 3.057 1.00 4.29 C ATOM 848 NE ARG A 56 11.189 7.811 2.538 1.00 6.18 N ATOM 849 CZ ARG A 56 11.598 8.984 3.040 1.00 7.74 C ATOM 850 NH1 ARG A 56 12.729 9.061 3.751 1.00 7.89 N ATOM 851 NH2 ARG A 56 10.864 10.078 2.830 1.00 9.52 N ATOM 0 H ARG A 56 10.674 3.635 0.100 1.00 0.67 H new ATOM 0 HA ARG A 56 9.945 2.469 2.478 1.00 0.81 H new ATOM 0 HB2 ARG A 56 11.563 3.969 3.466 1.00 1.12 H new ATOM 0 HB3 ARG A 56 12.153 3.362 1.932 1.00 1.12 H new ATOM 0 HG2 ARG A 56 12.672 5.540 1.513 1.00 2.90 H new ATOM 0 HG3 ARG A 56 10.976 5.702 1.104 1.00 2.90 H new ATOM 0 HD2 ARG A 56 10.671 6.139 3.708 1.00 4.29 H new ATOM 0 HD3 ARG A 56 12.386 6.495 3.665 1.00 4.29 H new ATOM 0 HE ARG A 56 10.608 7.856 1.701 1.00 6.18 H new ATOM 0 HH11 ARG A 56 13.287 8.223 3.914 1.00 7.89 H new ATOM 0 HH12 ARG A 56 13.033 9.958 4.130 1.00 7.89 H new ATOM 0 HH21 ARG A 56 10.000 10.017 2.291 1.00 9.52 H new ATOM 0 HH22 ARG A 56 11.167 10.976 3.208 1.00 9.52 H new ATOM 865 N ASP A 57 8.441 5.396 2.221 1.00 0.65 N ATOM 866 CA ASP A 57 7.370 6.189 2.824 1.00 0.61 C ATOM 867 C ASP A 57 6.108 5.339 2.942 1.00 0.48 C ATOM 868 O ASP A 57 5.529 5.191 4.014 1.00 0.47 O ATOM 869 CB ASP A 57 7.054 7.427 1.968 1.00 0.72 C ATOM 870 CG ASP A 57 8.228 8.367 1.791 1.00 1.82 C ATOM 871 OD1 ASP A 57 9.066 8.102 0.902 1.00 2.88 O ATOM 872 OD2 ASP A 57 8.356 9.322 2.585 1.00 2.96 O ATOM 0 H ASP A 57 8.826 5.801 1.368 1.00 0.65 H new ATOM 0 HA ASP A 57 7.702 6.514 3.810 1.00 0.61 H new ATOM 0 HB2 ASP A 57 6.712 7.100 0.986 1.00 0.72 H new ATOM 0 HB3 ASP A 57 6.230 7.973 2.427 1.00 0.72 H new ATOM 877 N ILE A 58 5.687 4.783 1.808 1.00 0.44 N ATOM 878 CA ILE A 58 4.487 3.967 1.705 1.00 0.39 C ATOM 879 C ILE A 58 4.596 2.761 2.629 1.00 0.38 C ATOM 880 O ILE A 58 3.665 2.465 3.379 1.00 0.42 O ATOM 881 CB ILE A 58 4.291 3.574 0.236 1.00 0.45 C ATOM 882 CG1 ILE A 58 3.792 4.814 -0.517 1.00 0.52 C ATOM 883 CG2 ILE A 58 3.303 2.413 0.082 1.00 0.54 C ATOM 884 CD1 ILE A 58 4.063 4.722 -2.017 1.00 0.71 C ATOM 0 H ILE A 58 6.181 4.891 0.922 1.00 0.44 H new ATOM 0 HA ILE A 58 3.607 4.525 2.026 1.00 0.39 H new ATOM 0 HB ILE A 58 5.239 3.229 -0.177 1.00 0.45 H new ATOM 0 HG12 ILE A 58 2.722 4.933 -0.349 1.00 0.52 H new ATOM 0 HG13 ILE A 58 4.279 5.702 -0.115 1.00 0.52 H new ATOM 0 HG21 ILE A 58 3.193 2.166 -0.974 1.00 0.54 H new ATOM 0 HG22 ILE A 58 3.678 1.543 0.621 1.00 0.54 H new ATOM 0 HG23 ILE A 58 2.335 2.703 0.490 1.00 0.54 H new ATOM 0 HD11 ILE A 58 3.693 5.621 -2.509 1.00 0.71 H new ATOM 0 HD12 ILE A 58 5.136 4.630 -2.188 1.00 0.71 H new ATOM 0 HD13 ILE A 58 3.554 3.849 -2.426 1.00 0.71 H new ATOM 896 N ILE A 59 5.738 2.073 2.577 1.00 0.43 N ATOM 897 CA ILE A 59 6.015 0.971 3.494 1.00 0.50 C ATOM 898 C ILE A 59 5.763 1.435 4.931 1.00 0.49 C ATOM 899 O ILE A 59 4.994 0.791 5.643 1.00 0.46 O ATOM 900 CB ILE A 59 7.426 0.376 3.276 1.00 0.68 C ATOM 901 CG1 ILE A 59 7.373 -0.805 2.291 1.00 0.97 C ATOM 902 CG2 ILE A 59 8.054 -0.164 4.572 1.00 1.27 C ATOM 903 CD1 ILE A 59 7.033 -0.398 0.857 1.00 1.42 C ATOM 0 H ILE A 59 6.485 2.261 1.908 1.00 0.43 H new ATOM 0 HA ILE A 59 5.332 0.147 3.286 1.00 0.50 H new ATOM 0 HB ILE A 59 8.029 1.198 2.891 1.00 0.68 H new ATOM 0 HG12 ILE A 59 8.337 -1.313 2.296 1.00 0.97 H new ATOM 0 HG13 ILE A 59 6.632 -1.524 2.640 1.00 0.97 H new ATOM 0 HG21 ILE A 59 9.043 -0.569 4.356 1.00 1.27 H new ATOM 0 HG22 ILE A 59 8.143 0.645 5.297 1.00 1.27 H new ATOM 0 HG23 ILE A 59 7.422 -0.951 4.982 1.00 1.27 H new ATOM 0 HD11 ILE A 59 7.014 -1.284 0.222 1.00 1.42 H new ATOM 0 HD12 ILE A 59 6.055 0.083 0.837 1.00 1.42 H new ATOM 0 HD13 ILE A 59 7.787 0.297 0.488 1.00 1.42 H new ATOM 915 N HIS A 60 6.365 2.559 5.336 1.00 0.59 N ATOM 916 CA HIS A 60 6.166 3.107 6.669 1.00 0.69 C ATOM 917 C HIS A 60 4.681 3.310 6.947 1.00 0.64 C ATOM 918 O HIS A 60 4.203 2.891 7.994 1.00 0.67 O ATOM 919 CB HIS A 60 6.961 4.398 6.901 1.00 0.82 C ATOM 920 CG HIS A 60 8.452 4.264 6.726 1.00 1.18 C ATOM 921 ND1 HIS A 60 9.294 5.256 6.278 1.00 2.02 N ATOM 922 CD2 HIS A 60 9.219 3.163 7.003 1.00 1.48 C ATOM 923 CE1 HIS A 60 10.541 4.757 6.278 1.00 2.73 C ATOM 924 NE2 HIS A 60 10.549 3.485 6.708 1.00 2.42 N ATOM 0 H HIS A 60 6.997 3.105 4.750 1.00 0.59 H new ATOM 0 HA HIS A 60 6.555 2.378 7.379 1.00 0.69 H new ATOM 0 HB2 HIS A 60 6.596 5.161 6.213 1.00 0.82 H new ATOM 0 HB3 HIS A 60 6.759 4.756 7.911 1.00 0.82 H new ATOM 0 HD2 HIS A 60 8.862 2.217 7.381 1.00 1.48 H new ATOM 0 HE1 HIS A 60 11.420 5.306 5.973 1.00 2.73 H new ATOM 0 HE2 HIS A 60 11.361 2.875 6.801 1.00 2.42 H new ATOM 932 N THR A 61 3.922 3.915 6.025 1.00 0.62 N ATOM 933 CA THR A 61 2.481 4.037 6.212 1.00 0.71 C ATOM 934 C THR A 61 1.870 2.676 6.549 1.00 0.52 C ATOM 935 O THR A 61 1.177 2.537 7.557 1.00 0.56 O ATOM 936 CB THR A 61 1.807 4.620 4.961 1.00 0.98 C ATOM 937 OG1 THR A 61 2.606 5.638 4.410 1.00 1.31 O ATOM 938 CG2 THR A 61 0.433 5.199 5.315 1.00 1.06 C ATOM 0 H THR A 61 4.278 4.319 5.159 1.00 0.62 H new ATOM 0 HA THR A 61 2.308 4.721 7.043 1.00 0.71 H new ATOM 0 HB THR A 61 1.684 3.817 4.234 1.00 0.98 H new ATOM 0 HG1 THR A 61 2.860 6.271 5.113 1.00 1.31 H new ATOM 0 HG21 THR A 61 -0.032 5.608 4.418 1.00 1.06 H new ATOM 0 HG22 THR A 61 -0.199 4.411 5.724 1.00 1.06 H new ATOM 0 HG23 THR A 61 0.551 5.990 6.055 1.00 1.06 H new ATOM 946 N ILE A 62 2.120 1.682 5.695 1.00 0.44 N ATOM 947 CA ILE A 62 1.531 0.365 5.847 1.00 0.47 C ATOM 948 C ILE A 62 1.896 -0.224 7.214 1.00 0.41 C ATOM 949 O ILE A 62 0.995 -0.548 7.989 1.00 0.42 O ATOM 950 CB ILE A 62 1.908 -0.550 4.667 1.00 0.55 C ATOM 951 CG1 ILE A 62 1.393 -0.025 3.315 1.00 0.74 C ATOM 952 CG2 ILE A 62 1.369 -1.967 4.908 1.00 0.64 C ATOM 953 CD1 ILE A 62 -0.104 -0.228 3.073 1.00 1.68 C ATOM 0 H ILE A 62 2.734 1.773 4.885 1.00 0.44 H new ATOM 0 HA ILE A 62 0.445 0.451 5.821 1.00 0.47 H new ATOM 0 HB ILE A 62 2.997 -0.564 4.615 1.00 0.55 H new ATOM 0 HG12 ILE A 62 1.616 1.040 3.246 1.00 0.74 H new ATOM 0 HG13 ILE A 62 1.946 -0.519 2.516 1.00 0.74 H new ATOM 0 HG21 ILE A 62 1.640 -2.607 4.069 1.00 0.64 H new ATOM 0 HG22 ILE A 62 1.800 -2.369 5.825 1.00 0.64 H new ATOM 0 HG23 ILE A 62 0.284 -1.932 5.002 1.00 0.64 H new ATOM 0 HD11 ILE A 62 -0.372 0.173 2.096 1.00 1.68 H new ATOM 0 HD12 ILE A 62 -0.337 -1.292 3.104 1.00 1.68 H new ATOM 0 HD13 ILE A 62 -0.671 0.290 3.846 1.00 1.68 H new ATOM 965 N GLU A 63 3.184 -0.376 7.531 1.00 0.45 N ATOM 966 CA GLU A 63 3.534 -1.008 8.797 1.00 0.56 C ATOM 967 C GLU A 63 3.052 -0.171 9.985 1.00 0.52 C ATOM 968 O GLU A 63 2.422 -0.701 10.902 1.00 0.55 O ATOM 969 CB GLU A 63 5.001 -1.465 8.857 1.00 0.81 C ATOM 970 CG GLU A 63 6.076 -0.373 8.735 1.00 1.62 C ATOM 971 CD GLU A 63 6.217 0.502 9.977 1.00 3.09 C ATOM 972 OE1 GLU A 63 6.064 -0.051 11.086 1.00 4.20 O ATOM 973 OE2 GLU A 63 6.474 1.711 9.794 1.00 3.97 O ATOM 0 H GLU A 63 3.971 -0.082 6.953 1.00 0.45 H new ATOM 0 HA GLU A 63 2.985 -1.947 8.871 1.00 0.56 H new ATOM 0 HB2 GLU A 63 5.155 -1.988 9.801 1.00 0.81 H new ATOM 0 HB3 GLU A 63 5.163 -2.191 8.060 1.00 0.81 H new ATOM 0 HG2 GLU A 63 7.036 -0.845 8.525 1.00 1.62 H new ATOM 0 HG3 GLU A 63 5.839 0.262 7.881 1.00 1.62 H new ATOM 980 N SER A 64 3.263 1.147 9.923 1.00 0.50 N ATOM 981 CA SER A 64 2.937 2.052 11.010 1.00 0.53 C ATOM 982 C SER A 64 1.441 2.083 11.320 1.00 0.48 C ATOM 983 O SER A 64 1.091 2.529 12.412 1.00 0.71 O ATOM 984 CB SER A 64 3.477 3.461 10.743 1.00 0.56 C ATOM 985 OG SER A 64 3.261 4.297 11.869 1.00 0.67 O ATOM 0 H SER A 64 3.667 1.611 9.109 1.00 0.50 H new ATOM 0 HA SER A 64 3.433 1.662 11.899 1.00 0.53 H new ATOM 0 HB2 SER A 64 4.542 3.412 10.518 1.00 0.56 H new ATOM 0 HB3 SER A 64 2.985 3.886 9.868 1.00 0.56 H new ATOM 0 HG SER A 64 2.480 3.978 12.368 1.00 0.67 H new ATOM 991 N LEU A 65 0.553 1.671 10.403 1.00 0.44 N ATOM 992 CA LEU A 65 -0.824 1.403 10.786 1.00 0.50 C ATOM 993 C LEU A 65 -0.879 0.186 11.718 1.00 0.61 C ATOM 994 O LEU A 65 -0.958 0.354 12.933 1.00 1.08 O ATOM 995 CB LEU A 65 -1.678 1.221 9.533 1.00 0.72 C ATOM 996 CG LEU A 65 -1.790 2.541 8.759 1.00 0.83 C ATOM 997 CD1 LEU A 65 -1.985 2.223 7.280 1.00 1.98 C ATOM 998 CD2 LEU A 65 -2.947 3.384 9.287 1.00 1.38 C ATOM 0 H LEU A 65 0.764 1.522 9.416 1.00 0.44 H new ATOM 0 HA LEU A 65 -1.233 2.249 11.339 1.00 0.50 H new ATOM 0 HB2 LEU A 65 -1.238 0.455 8.894 1.00 0.72 H new ATOM 0 HB3 LEU A 65 -2.672 0.871 9.812 1.00 0.72 H new ATOM 0 HG LEU A 65 -0.877 3.121 8.893 1.00 0.83 H new ATOM 0 HD11 LEU A 65 -2.066 3.152 6.716 1.00 1.98 H new ATOM 0 HD12 LEU A 65 -1.132 1.651 6.915 1.00 1.98 H new ATOM 0 HD13 LEU A 65 -2.896 1.639 7.150 1.00 1.98 H new ATOM 0 HD21 LEU A 65 -3.006 4.315 8.723 1.00 1.38 H new ATOM 0 HD22 LEU A 65 -3.880 2.832 9.175 1.00 1.38 H new ATOM 0 HD23 LEU A 65 -2.782 3.609 10.341 1.00 1.38 H new ATOM 1010 N GLY A 66 -0.903 -1.034 11.173 1.00 0.62 N ATOM 1011 CA GLY A 66 -0.840 -2.230 12.006 1.00 0.74 C ATOM 1012 C GLY A 66 -0.384 -3.484 11.264 1.00 0.72 C ATOM 1013 O GLY A 66 -0.771 -4.579 11.666 1.00 1.10 O ATOM 0 H GLY A 66 -0.965 -1.215 10.171 1.00 0.62 H new ATOM 0 HA2 GLY A 66 -0.160 -2.045 12.837 1.00 0.74 H new ATOM 0 HA3 GLY A 66 -1.825 -2.413 12.435 1.00 0.74 H new ATOM 1017 N PHE A 67 0.372 -3.347 10.169 1.00 0.57 N ATOM 1018 CA PHE A 67 0.589 -4.449 9.233 1.00 0.47 C ATOM 1019 C PHE A 67 2.065 -4.846 9.097 1.00 0.69 C ATOM 1020 O PHE A 67 2.949 -4.160 9.597 1.00 1.40 O ATOM 1021 CB PHE A 67 -0.006 -4.033 7.881 1.00 0.45 C ATOM 1022 CG PHE A 67 -1.442 -3.548 7.969 1.00 0.40 C ATOM 1023 CD1 PHE A 67 -2.438 -4.417 8.448 1.00 1.79 C ATOM 1024 CD2 PHE A 67 -1.759 -2.196 7.730 1.00 1.79 C ATOM 1025 CE1 PHE A 67 -3.739 -3.944 8.681 1.00 1.86 C ATOM 1026 CE2 PHE A 67 -3.046 -1.712 8.009 1.00 1.74 C ATOM 1027 CZ PHE A 67 -4.044 -2.592 8.449 1.00 0.48 C ATOM 0 H PHE A 67 0.844 -2.480 9.911 1.00 0.57 H new ATOM 0 HA PHE A 67 0.093 -5.341 9.617 1.00 0.47 H new ATOM 0 HB2 PHE A 67 0.609 -3.243 7.451 1.00 0.45 H new ATOM 0 HB3 PHE A 67 0.041 -4.881 7.197 1.00 0.45 H new ATOM 0 HD1 PHE A 67 -2.201 -5.453 8.638 1.00 1.79 H new ATOM 0 HD2 PHE A 67 -1.009 -1.530 7.331 1.00 1.79 H new ATOM 0 HE1 PHE A 67 -4.504 -4.618 9.038 1.00 1.86 H new ATOM 0 HE2 PHE A 67 -3.267 -0.662 7.885 1.00 1.74 H new ATOM 0 HZ PHE A 67 -5.049 -2.231 8.610 1.00 0.48 H new ATOM 1037 N GLU A 68 2.328 -5.943 8.379 1.00 0.49 N ATOM 1038 CA GLU A 68 3.619 -6.188 7.728 1.00 0.55 C ATOM 1039 C GLU A 68 3.469 -5.709 6.279 1.00 0.68 C ATOM 1040 O GLU A 68 2.332 -5.584 5.810 1.00 1.48 O ATOM 1041 CB GLU A 68 3.952 -7.690 7.795 1.00 1.07 C ATOM 1042 CG GLU A 68 5.444 -8.059 7.756 1.00 1.99 C ATOM 1043 CD GLU A 68 6.068 -7.888 6.379 1.00 3.69 C ATOM 1044 OE1 GLU A 68 5.811 -8.751 5.507 1.00 4.57 O ATOM 1045 OE2 GLU A 68 6.739 -6.854 6.193 1.00 4.95 O ATOM 0 H GLU A 68 1.648 -6.689 8.233 1.00 0.49 H new ATOM 0 HA GLU A 68 4.435 -5.657 8.218 1.00 0.55 H new ATOM 0 HB2 GLU A 68 3.523 -8.095 8.712 1.00 1.07 H new ATOM 0 HB3 GLU A 68 3.454 -8.188 6.963 1.00 1.07 H new ATOM 0 HG2 GLU A 68 5.984 -7.439 8.472 1.00 1.99 H new ATOM 0 HG3 GLU A 68 5.564 -9.094 8.076 1.00 1.99 H new ATOM 1052 N ALA A 69 4.574 -5.463 5.568 1.00 0.56 N ATOM 1053 CA ALA A 69 4.568 -5.111 4.157 1.00 0.72 C ATOM 1054 C ALA A 69 5.816 -5.622 3.424 1.00 0.79 C ATOM 1055 O ALA A 69 6.829 -4.927 3.347 1.00 1.64 O ATOM 1056 CB ALA A 69 4.483 -3.589 4.027 1.00 0.94 C ATOM 0 H ALA A 69 5.510 -5.505 5.970 1.00 0.56 H new ATOM 0 HA ALA A 69 3.704 -5.587 3.694 1.00 0.72 H new ATOM 0 HB1 ALA A 69 4.478 -3.314 2.972 1.00 0.94 H new ATOM 0 HB2 ALA A 69 3.567 -3.234 4.499 1.00 0.94 H new ATOM 0 HB3 ALA A 69 5.344 -3.133 4.517 1.00 0.94 H new ATOM 1062 N SER A 70 5.721 -6.794 2.796 1.00 0.81 N ATOM 1063 CA SER A 70 6.767 -7.337 1.940 1.00 0.81 C ATOM 1064 C SER A 70 6.582 -6.825 0.505 1.00 0.72 C ATOM 1065 O SER A 70 5.553 -7.103 -0.104 1.00 0.63 O ATOM 1066 CB SER A 70 6.673 -8.864 1.971 1.00 0.83 C ATOM 1067 OG SER A 70 6.966 -9.372 3.262 1.00 1.73 O ATOM 0 H SER A 70 4.903 -7.398 2.871 1.00 0.81 H new ATOM 0 HA SER A 70 7.747 -7.020 2.296 1.00 0.81 H new ATOM 0 HB2 SER A 70 5.671 -9.175 1.674 1.00 0.83 H new ATOM 0 HB3 SER A 70 7.367 -9.288 1.245 1.00 0.83 H new ATOM 0 HG SER A 70 6.213 -9.191 3.863 1.00 1.73 H new ATOM 1073 N LEU A 71 7.557 -6.106 -0.060 1.00 0.91 N ATOM 1074 CA LEU A 71 7.495 -5.658 -1.452 1.00 0.92 C ATOM 1075 C LEU A 71 7.487 -6.854 -2.405 1.00 0.79 C ATOM 1076 O LEU A 71 8.222 -7.814 -2.178 1.00 1.23 O ATOM 1077 CB LEU A 71 8.692 -4.765 -1.810 1.00 1.18 C ATOM 1078 CG LEU A 71 8.692 -3.386 -1.134 1.00 1.52 C ATOM 1079 CD1 LEU A 71 9.182 -3.449 0.317 1.00 3.04 C ATOM 1080 CD2 LEU A 71 9.606 -2.442 -1.927 1.00 2.23 C ATOM 0 H LEU A 71 8.404 -5.821 0.431 1.00 0.91 H new ATOM 0 HA LEU A 71 6.573 -5.086 -1.559 1.00 0.92 H new ATOM 0 HB2 LEU A 71 9.610 -5.287 -1.540 1.00 1.18 H new ATOM 0 HB3 LEU A 71 8.712 -4.624 -2.891 1.00 1.18 H new ATOM 0 HG LEU A 71 7.665 -3.022 -1.123 1.00 1.52 H new ATOM 0 HD11 LEU A 71 9.163 -2.449 0.751 1.00 3.04 H new ATOM 0 HD12 LEU A 71 8.531 -4.107 0.893 1.00 3.04 H new ATOM 0 HD13 LEU A 71 10.201 -3.836 0.341 1.00 3.04 H new ATOM 0 HD21 LEU A 71 9.612 -1.460 -1.454 1.00 2.23 H new ATOM 0 HD22 LEU A 71 10.619 -2.844 -1.942 1.00 2.23 H new ATOM 0 HD23 LEU A 71 9.237 -2.351 -2.948 1.00 2.23 H new ATOM 1092 N VAL A 72 6.693 -6.777 -3.479 1.00 1.03 N ATOM 1093 CA VAL A 72 6.661 -7.761 -4.554 1.00 1.25 C ATOM 1094 C VAL A 72 6.658 -7.038 -5.913 1.00 1.61 C ATOM 1095 O VAL A 72 6.962 -5.840 -5.994 1.00 3.06 O ATOM 1096 CB VAL A 72 5.490 -8.740 -4.332 1.00 1.21 C ATOM 1097 CG1 VAL A 72 5.496 -9.291 -2.906 1.00 1.27 C ATOM 1098 CG2 VAL A 72 4.110 -8.144 -4.629 1.00 1.24 C ATOM 0 H VAL A 72 6.040 -6.007 -3.623 1.00 1.03 H new ATOM 0 HA VAL A 72 7.558 -8.380 -4.552 1.00 1.25 H new ATOM 0 HB VAL A 72 5.656 -9.542 -5.051 1.00 1.21 H new ATOM 0 HG11 VAL A 72 4.660 -9.978 -2.778 1.00 1.27 H new ATOM 0 HG12 VAL A 72 6.432 -9.820 -2.724 1.00 1.27 H new ATOM 0 HG13 VAL A 72 5.401 -8.468 -2.198 1.00 1.27 H new ATOM 0 HG21 VAL A 72 3.342 -8.896 -4.448 1.00 1.24 H new ATOM 0 HG22 VAL A 72 3.937 -7.286 -3.980 1.00 1.24 H new ATOM 0 HG23 VAL A 72 4.068 -7.825 -5.671 1.00 1.24 H new ATOM 1108 N LYS A 73 6.366 -7.734 -7.012 1.00 1.56 N ATOM 1109 CA LYS A 73 6.507 -7.192 -8.354 1.00 1.87 C ATOM 1110 C LYS A 73 5.529 -7.879 -9.312 1.00 2.22 C ATOM 1111 O LYS A 73 5.929 -8.534 -10.270 1.00 2.96 O ATOM 1112 CB LYS A 73 7.985 -7.291 -8.771 1.00 2.47 C ATOM 1113 CG LYS A 73 8.384 -6.351 -9.915 1.00 3.37 C ATOM 1114 CD LYS A 73 8.728 -4.914 -9.472 1.00 3.54 C ATOM 1115 CE LYS A 73 7.515 -4.005 -9.201 1.00 4.60 C ATOM 1116 NZ LYS A 73 7.204 -3.811 -7.766 1.00 5.53 N ATOM 0 H LYS A 73 6.023 -8.695 -6.991 1.00 1.56 H new ATOM 0 HA LYS A 73 6.239 -6.136 -8.386 1.00 1.87 H new ATOM 0 HB2 LYS A 73 8.610 -7.075 -7.904 1.00 2.47 H new ATOM 0 HB3 LYS A 73 8.198 -8.318 -9.069 1.00 2.47 H new ATOM 0 HG2 LYS A 73 9.245 -6.774 -10.432 1.00 3.37 H new ATOM 0 HG3 LYS A 73 7.568 -6.310 -10.636 1.00 3.37 H new ATOM 0 HD2 LYS A 73 9.334 -4.965 -8.567 1.00 3.54 H new ATOM 0 HD3 LYS A 73 9.344 -4.451 -10.242 1.00 3.54 H new ATOM 0 HE2 LYS A 73 7.697 -3.031 -9.656 1.00 4.60 H new ATOM 0 HE3 LYS A 73 6.641 -4.429 -9.696 1.00 4.60 H new ATOM 0 HZ1 LYS A 73 6.278 -3.348 -7.671 1.00 5.53 H new ATOM 0 HZ2 LYS A 73 7.180 -4.734 -7.288 1.00 5.53 H new ATOM 0 HZ3 LYS A 73 7.935 -3.214 -7.330 1.00 5.53 H new ATOM 1130 N ILE A 74 4.239 -7.624 -9.073 1.00 2.64 N ATOM 1131 CA ILE A 74 3.105 -8.217 -9.770 1.00 3.78 C ATOM 1132 C ILE A 74 2.987 -9.681 -9.335 1.00 4.80 C ATOM 1133 O ILE A 74 2.988 -10.613 -10.136 1.00 5.71 O ATOM 1134 CB ILE A 74 3.078 -7.939 -11.295 1.00 4.25 C ATOM 1135 CG1 ILE A 74 3.042 -6.431 -11.625 1.00 4.61 C ATOM 1136 CG2 ILE A 74 1.796 -8.518 -11.927 1.00 5.63 C ATOM 1137 CD1 ILE A 74 4.336 -5.657 -11.367 1.00 4.97 C ATOM 0 H ILE A 74 3.948 -6.965 -8.351 1.00 2.64 H new ATOM 0 HA ILE A 74 2.183 -7.719 -9.471 1.00 3.78 H new ATOM 0 HB ILE A 74 3.987 -8.397 -11.686 1.00 4.25 H new ATOM 0 HG12 ILE A 74 2.776 -6.316 -12.676 1.00 4.61 H new ATOM 0 HG13 ILE A 74 2.244 -5.971 -11.042 1.00 4.61 H new ATOM 0 HG21 ILE A 74 1.794 -8.314 -12.998 1.00 5.63 H new ATOM 0 HG22 ILE A 74 1.764 -9.595 -11.763 1.00 5.63 H new ATOM 0 HG23 ILE A 74 0.923 -8.055 -11.468 1.00 5.63 H new ATOM 0 HD11 ILE A 74 4.193 -4.610 -11.634 1.00 4.97 H new ATOM 0 HD12 ILE A 74 4.599 -5.729 -10.312 1.00 4.97 H new ATOM 0 HD13 ILE A 74 5.139 -6.079 -11.971 1.00 4.97 H new ATOM 1149 N GLU A 75 2.812 -9.835 -8.025 1.00 5.61 N ATOM 1150 CA GLU A 75 2.206 -10.970 -7.377 1.00 7.55 C ATOM 1151 C GLU A 75 1.024 -10.324 -6.656 1.00 8.75 C ATOM 1152 O GLU A 75 1.269 -9.439 -5.803 1.00 9.27 O ATOM 1153 CB GLU A 75 3.205 -11.625 -6.408 1.00 8.24 C ATOM 1154 CG GLU A 75 4.367 -12.347 -7.121 1.00 8.15 C ATOM 1155 CD GLU A 75 5.514 -11.458 -7.605 1.00 7.97 C ATOM 1156 OE1 GLU A 75 5.528 -10.256 -7.260 1.00 8.16 O ATOM 1157 OE2 GLU A 75 6.405 -12.016 -8.278 1.00 8.18 O ATOM 1158 OXT GLU A 75 -0.133 -10.533 -7.084 1.00 9.49 O ATOM 0 H GLU A 75 3.111 -9.123 -7.358 1.00 5.61 H new ATOM 0 HA GLU A 75 1.902 -11.775 -8.046 1.00 7.55 H new ATOM 0 HB2 GLU A 75 3.613 -10.860 -5.747 1.00 8.24 H new ATOM 0 HB3 GLU A 75 2.674 -12.340 -5.779 1.00 8.24 H new ATOM 0 HG2 GLU A 75 4.775 -13.095 -6.441 1.00 8.15 H new ATOM 0 HG3 GLU A 75 3.963 -12.884 -7.979 1.00 8.15 H new TER 1165 GLU A 75