USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 26 THR OG1 : rot -24:sc= 1.12 USER MOD Set 1.2: A 38 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= -0.998! (180deg=-1.02!) USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= -0.224 (180deg=-0.801) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 60:sc= 0.98 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 20 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.7!) USER MOD Single : A 21 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.4) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.172 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.298 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0545 X(o=-0.055,f=-0.00092) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.17) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.031) USER MOD Single : A 60 THR OG1 : rot 97:sc= 2.09 USER MOD Single : A 62 ASN : amide:sc= 1.17 K(o=1.2,f=-0.046) USER MOD Single : A 69 SER OG : rot 72:sc= 1.03 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 76 SER OG : rot -64:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -40:sc= 0.106 USER MOD Single : A 85 HIS : no HE2:sc= 0.365 K(o=0.37,f=-6.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -143:sc= 1.27 (180deg=1.04) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 1.48 (180deg=1.14) USER MOD Single : A 96 MET CE :methyl 149:sc= -0.0316 (180deg=-0.846) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00988 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00801 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -2.62 (180deg=-3.62!) USER MOD Single : A 400 HEM CMB :methyl 150:sc= -0.184 (180deg=-0.184) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -1.67 (180deg=-5.26!) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -2.43 (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.997 -13.338 17.368 1.00 1.40 N ATOM 2 CA MET A 1 19.781 -13.450 18.200 1.00 1.19 C ATOM 3 C MET A 1 18.548 -13.038 17.401 1.00 1.07 C ATOM 4 O MET A 1 17.875 -13.881 16.806 1.00 1.47 O ATOM 5 CB MET A 1 19.918 -12.592 19.461 1.00 1.39 C ATOM 6 CG MET A 1 18.734 -12.702 20.409 1.00 1.77 C ATOM 7 SD MET A 1 18.837 -11.537 21.783 1.00 2.23 S ATOM 8 CE MET A 1 20.187 -12.243 22.725 1.00 2.70 C ATOM 0 H1 MET A 1 21.827 -13.622 17.926 1.00 1.40 H new ATOM 0 H2 MET A 1 20.909 -13.959 16.539 1.00 1.40 H new ATOM 0 H3 MET A 1 21.112 -12.354 17.052 1.00 1.40 H new ATOM 0 HA MET A 1 19.661 -14.490 18.502 1.00 1.19 H new ATOM 0 HB2 MET A 1 20.825 -12.884 19.991 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.042 -11.549 19.168 1.00 1.39 H new ATOM 0 HG2 MET A 1 17.812 -12.525 19.855 1.00 1.77 H new ATOM 0 HG3 MET A 1 18.680 -13.718 20.801 1.00 1.77 H new ATOM 0 HE1 MET A 1 20.257 -11.743 23.691 1.00 2.70 H new ATOM 0 HE2 MET A 1 20.006 -13.307 22.879 1.00 2.70 H new ATOM 0 HE3 MET A 1 21.121 -12.109 22.179 1.00 2.70 H new ATOM 20 N ALA A 2 18.263 -11.738 17.362 1.00 0.86 N ATOM 21 CA ALA A 2 17.108 -11.233 16.633 1.00 0.87 C ATOM 22 C ALA A 2 17.493 -10.868 15.206 1.00 0.72 C ATOM 23 O ALA A 2 17.796 -9.713 14.907 1.00 0.87 O ATOM 24 CB ALA A 2 16.507 -10.035 17.355 1.00 1.10 C ATOM 0 H ALA A 2 18.817 -11.018 17.827 1.00 0.86 H new ATOM 0 HA ALA A 2 16.355 -12.019 16.590 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.645 -9.669 16.797 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.193 -10.333 18.355 1.00 1.10 H new ATOM 0 HB3 ALA A 2 17.253 -9.244 17.430 1.00 1.10 H new ATOM 30 N ALA A 3 17.504 -11.865 14.335 1.00 0.71 N ATOM 31 CA ALA A 3 17.854 -11.651 12.941 1.00 0.72 C ATOM 32 C ALA A 3 17.100 -12.616 12.036 1.00 0.70 C ATOM 33 O ALA A 3 17.492 -13.776 11.883 1.00 1.05 O ATOM 34 CB ALA A 3 19.355 -11.799 12.741 1.00 0.96 C ATOM 0 H ALA A 3 17.274 -12.831 14.570 1.00 0.71 H new ATOM 0 HA ALA A 3 17.564 -10.635 12.671 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.600 -11.636 11.692 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.878 -11.065 13.354 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.664 -12.802 13.034 1.00 0.96 H new ATOM 40 N GLN A 4 16.001 -12.148 11.467 1.00 0.66 N ATOM 41 CA GLN A 4 15.202 -12.964 10.565 1.00 0.68 C ATOM 42 C GLN A 4 14.922 -12.196 9.278 1.00 0.66 C ATOM 43 O GLN A 4 14.439 -11.064 9.307 1.00 0.81 O ATOM 44 CB GLN A 4 13.889 -13.414 11.223 1.00 0.83 C ATOM 45 CG GLN A 4 13.113 -12.299 11.906 1.00 0.97 C ATOM 46 CD GLN A 4 11.700 -12.714 12.274 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.422 -13.897 12.492 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.798 -11.750 12.355 1.00 1.63 N ATOM 0 H GLN A 4 15.641 -11.205 11.614 1.00 0.66 H new ATOM 0 HA GLN A 4 15.772 -13.862 10.327 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.254 -13.869 10.463 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.112 -14.188 11.958 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.644 -11.991 12.807 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.073 -11.432 11.247 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.066 -10.784 12.168 1.00 1.63 H new ATOM 0 HE22 GLN A 4 9.835 -11.973 12.605 1.00 1.63 H new ATOM 57 N SER A 5 15.240 -12.810 8.155 1.00 0.71 N ATOM 58 CA SER A 5 15.031 -12.182 6.865 1.00 0.76 C ATOM 59 C SER A 5 14.240 -13.101 5.946 1.00 0.73 C ATOM 60 O SER A 5 14.766 -13.626 4.965 1.00 1.11 O ATOM 61 CB SER A 5 16.374 -11.819 6.230 1.00 0.98 C ATOM 62 OG SER A 5 17.170 -11.061 7.127 1.00 1.18 O ATOM 0 H SER A 5 15.645 -13.745 8.110 1.00 0.71 H new ATOM 0 HA SER A 5 14.457 -11.268 7.013 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.904 -12.728 5.946 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.206 -11.249 5.316 1.00 0.98 H new ATOM 0 HG SER A 5 18.025 -10.842 6.701 1.00 1.18 H new ATOM 68 N ASP A 6 12.976 -13.300 6.277 1.00 0.62 N ATOM 69 CA ASP A 6 12.114 -14.153 5.477 1.00 0.68 C ATOM 70 C ASP A 6 11.197 -13.302 4.613 1.00 0.58 C ATOM 71 O ASP A 6 10.723 -12.254 5.045 1.00 0.80 O ATOM 72 CB ASP A 6 11.292 -15.084 6.368 1.00 0.89 C ATOM 73 CG ASP A 6 10.826 -16.317 5.627 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.662 -16.967 4.961 1.00 1.98 O ATOM 75 OD2 ASP A 6 9.624 -16.649 5.707 1.00 2.18 O ATOM 0 H ASP A 6 12.525 -12.884 7.092 1.00 0.62 H new ATOM 0 HA ASP A 6 12.740 -14.768 4.831 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.891 -15.383 7.228 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.427 -14.545 6.754 1.00 0.89 H new ATOM 80 N LYS A 7 10.960 -13.747 3.390 1.00 0.54 N ATOM 81 CA LYS A 7 10.110 -13.009 2.469 1.00 0.58 C ATOM 82 C LYS A 7 8.862 -13.805 2.122 1.00 0.53 C ATOM 83 O LYS A 7 8.907 -14.734 1.317 1.00 0.85 O ATOM 84 CB LYS A 7 10.884 -12.653 1.196 1.00 0.81 C ATOM 85 CG LYS A 7 12.072 -11.732 1.438 1.00 1.05 C ATOM 86 CD LYS A 7 11.627 -10.355 1.911 1.00 1.24 C ATOM 87 CE LYS A 7 12.814 -9.438 2.155 1.00 1.58 C ATOM 88 NZ LYS A 7 12.386 -8.060 2.517 1.00 1.91 N ATOM 0 H LYS A 7 11.343 -14.614 3.012 1.00 0.54 H new ATOM 0 HA LYS A 7 9.800 -12.087 2.961 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.238 -13.572 0.728 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.204 -12.176 0.490 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.732 -12.177 2.182 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.649 -11.633 0.519 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.969 -9.909 1.166 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.048 -10.454 2.829 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.431 -9.848 2.954 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.435 -9.402 1.260 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.220 -7.494 2.774 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 11.906 -7.621 1.705 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.733 -8.100 3.325 1.00 1.91 H new ATOM 102 N ASP A 8 7.753 -13.438 2.743 1.00 0.50 N ATOM 103 CA ASP A 8 6.480 -14.103 2.501 1.00 0.54 C ATOM 104 C ASP A 8 5.491 -13.100 1.915 1.00 0.51 C ATOM 105 O ASP A 8 5.759 -11.900 1.902 1.00 0.83 O ATOM 106 CB ASP A 8 5.927 -14.698 3.803 1.00 0.75 C ATOM 107 CG ASP A 8 5.106 -15.955 3.574 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.372 -16.023 2.563 1.00 1.72 O ATOM 109 OD2 ASP A 8 5.188 -16.882 4.409 1.00 1.44 O ATOM 0 H ASP A 8 7.707 -12.679 3.423 1.00 0.50 H new ATOM 0 HA ASP A 8 6.631 -14.918 1.793 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.756 -14.928 4.473 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.310 -13.953 4.304 1.00 0.75 H new ATOM 114 N VAL A 9 4.356 -13.582 1.438 1.00 0.39 N ATOM 115 CA VAL A 9 3.350 -12.710 0.852 1.00 0.35 C ATOM 116 C VAL A 9 1.941 -13.219 1.149 1.00 0.33 C ATOM 117 O VAL A 9 1.568 -14.327 0.758 1.00 0.44 O ATOM 118 CB VAL A 9 3.550 -12.561 -0.678 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.741 -13.916 -1.342 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.385 -11.813 -1.310 1.00 0.47 C ATOM 0 H VAL A 9 4.107 -14.571 1.445 1.00 0.39 H new ATOM 0 HA VAL A 9 3.470 -11.728 1.309 1.00 0.35 H new ATOM 0 HB VAL A 9 4.456 -11.977 -0.837 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.879 -13.779 -2.415 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.620 -14.406 -0.923 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.861 -14.535 -1.165 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.550 -11.722 -2.384 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.460 -12.361 -1.130 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.309 -10.819 -0.869 1.00 0.47 H new ATOM 130 N LYS A 10 1.170 -12.420 1.867 1.00 0.30 N ATOM 131 CA LYS A 10 -0.197 -12.784 2.197 1.00 0.34 C ATOM 132 C LYS A 10 -1.172 -12.013 1.315 1.00 0.34 C ATOM 133 O LYS A 10 -1.060 -10.797 1.168 1.00 0.48 O ATOM 134 CB LYS A 10 -0.491 -12.514 3.676 1.00 0.42 C ATOM 135 CG LYS A 10 -1.961 -12.662 4.042 1.00 0.93 C ATOM 136 CD LYS A 10 -2.156 -12.810 5.541 1.00 0.98 C ATOM 137 CE LYS A 10 -2.183 -14.270 5.959 1.00 1.27 C ATOM 138 NZ LYS A 10 -3.312 -15.004 5.328 1.00 1.97 N ATOM 0 H LYS A 10 1.467 -11.515 2.232 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.322 -13.851 2.014 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.097 -13.200 4.286 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.163 -11.505 3.925 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.513 -11.792 3.688 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -2.377 -13.532 3.534 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.351 -12.295 6.066 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -3.088 -12.329 5.837 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.241 -14.745 5.683 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -2.267 -14.336 7.044 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -3.632 -15.762 5.964 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -4.098 -14.346 5.150 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -2.997 -15.418 4.428 1.00 1.97 H new ATOM 152 N TYR A 11 -2.112 -12.725 0.715 1.00 0.34 N ATOM 153 CA TYR A 11 -3.105 -12.101 -0.145 1.00 0.35 C ATOM 154 C TYR A 11 -4.195 -11.447 0.694 1.00 0.33 C ATOM 155 O TYR A 11 -5.061 -12.125 1.251 1.00 0.39 O ATOM 156 CB TYR A 11 -3.717 -13.129 -1.099 1.00 0.43 C ATOM 157 CG TYR A 11 -2.954 -13.299 -2.398 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.571 -13.144 -2.453 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.622 -13.618 -3.572 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.883 -13.304 -3.642 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.939 -13.783 -4.763 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.571 -13.624 -4.792 1.00 0.83 C ATOM 163 OH TYR A 11 -0.889 -13.793 -5.976 1.00 1.03 O ATOM 0 H TYR A 11 -2.209 -13.736 0.808 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.610 -11.333 -0.739 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.770 -14.093 -0.592 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.741 -12.832 -1.327 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.028 -12.895 -1.553 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.695 -13.740 -3.555 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.189 -13.179 -3.669 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -3.475 -14.035 -5.666 1.00 0.95 H new ATOM 0 HH TYR A 11 -1.523 -14.017 -6.689 1.00 1.03 H new ATOM 173 N TYR A 12 -4.143 -10.132 0.791 1.00 0.37 N ATOM 174 CA TYR A 12 -5.117 -9.383 1.560 1.00 0.41 C ATOM 175 C TYR A 12 -6.266 -8.955 0.659 1.00 0.42 C ATOM 176 O TYR A 12 -6.151 -8.982 -0.570 1.00 0.45 O ATOM 177 CB TYR A 12 -4.475 -8.143 2.189 1.00 0.45 C ATOM 178 CG TYR A 12 -3.378 -8.432 3.197 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.668 -9.008 4.430 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.055 -8.109 2.920 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.667 -9.254 5.356 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.054 -8.348 3.842 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.363 -8.922 5.055 1.00 0.82 C ATOM 184 OH TYR A 12 -0.364 -9.155 5.975 1.00 1.02 O ATOM 0 H TYR A 12 -3.430 -9.557 0.342 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.493 -10.025 2.356 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.063 -7.522 1.393 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.253 -7.558 2.679 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.689 -9.267 4.669 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.805 -7.664 1.968 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.907 -9.703 6.308 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.032 -8.085 3.612 1.00 0.82 H new ATOM 0 HH TYR A 12 0.496 -8.865 5.605 1.00 1.02 H new ATOM 194 N THR A 13 -7.377 -8.580 1.268 1.00 0.47 N ATOM 195 CA THR A 13 -8.534 -8.132 0.521 1.00 0.51 C ATOM 196 C THR A 13 -8.605 -6.606 0.521 1.00 0.47 C ATOM 197 O THR A 13 -8.143 -5.955 1.460 1.00 0.46 O ATOM 198 CB THR A 13 -9.848 -8.723 1.078 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.577 -9.712 2.090 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.649 -9.361 -0.047 1.00 0.86 C ATOM 0 H THR A 13 -7.500 -8.578 2.281 1.00 0.47 H new ATOM 0 HA THR A 13 -8.419 -8.490 -0.502 1.00 0.51 H new ATOM 0 HB THR A 13 -10.423 -7.911 1.524 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.080 -9.299 2.827 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.574 -9.775 0.354 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.885 -8.607 -0.798 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.063 -10.158 -0.504 1.00 0.86 H new ATOM 208 N LEU A 14 -9.185 -6.045 -0.535 1.00 0.50 N ATOM 209 CA LEU A 14 -9.300 -4.597 -0.693 1.00 0.51 C ATOM 210 C LEU A 14 -9.993 -3.933 0.499 1.00 0.48 C ATOM 211 O LEU A 14 -9.556 -2.885 0.973 1.00 0.51 O ATOM 212 CB LEU A 14 -10.070 -4.283 -1.980 1.00 0.58 C ATOM 213 CG LEU A 14 -10.116 -2.807 -2.377 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.728 -2.305 -2.747 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.080 -2.601 -3.535 1.00 0.95 C ATOM 0 H LEU A 14 -9.588 -6.579 -1.305 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.290 -4.191 -0.747 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.622 -4.847 -2.798 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.093 -4.643 -1.868 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.470 -2.233 -1.521 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.784 -1.253 -3.026 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.060 -2.419 -1.893 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.344 -2.883 -3.587 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.102 -1.546 -3.807 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.751 -3.189 -4.392 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.079 -2.920 -3.238 1.00 0.95 H new ATOM 227 N GLU A 15 -11.050 -4.555 0.993 1.00 0.50 N ATOM 228 CA GLU A 15 -11.814 -4.002 2.106 1.00 0.53 C ATOM 229 C GLU A 15 -11.064 -4.059 3.440 1.00 0.51 C ATOM 230 O GLU A 15 -11.361 -3.282 4.350 1.00 0.61 O ATOM 231 CB GLU A 15 -13.156 -4.730 2.234 1.00 0.61 C ATOM 232 CG GLU A 15 -13.027 -6.216 2.542 1.00 0.67 C ATOM 233 CD GLU A 15 -13.050 -7.089 1.301 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.404 -6.726 0.295 1.00 0.83 O ATOM 235 OE2 GLU A 15 -13.700 -8.151 1.333 1.00 1.05 O ATOM 0 H GLU A 15 -11.402 -5.446 0.642 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.977 -2.948 1.879 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.742 -4.256 3.022 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.714 -4.609 1.305 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.096 -6.389 3.082 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.840 -6.515 3.204 1.00 0.67 H new ATOM 242 N GLU A 16 -10.086 -4.949 3.565 1.00 0.46 N ATOM 243 CA GLU A 16 -9.359 -5.073 4.825 1.00 0.50 C ATOM 244 C GLU A 16 -8.131 -4.160 4.872 1.00 0.46 C ATOM 245 O GLU A 16 -7.790 -3.630 5.932 1.00 0.51 O ATOM 246 CB GLU A 16 -8.966 -6.535 5.090 1.00 0.58 C ATOM 247 CG GLU A 16 -7.712 -6.995 4.368 1.00 1.05 C ATOM 248 CD GLU A 16 -7.351 -8.429 4.686 1.00 1.60 C ATOM 249 OE1 GLU A 16 -6.827 -8.686 5.792 1.00 2.32 O ATOM 250 OE2 GLU A 16 -7.591 -9.305 3.830 1.00 2.19 O ATOM 0 H GLU A 16 -9.782 -5.584 2.827 1.00 0.46 H new ATOM 0 HA GLU A 16 -10.032 -4.748 5.618 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.822 -6.670 6.162 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -9.795 -7.179 4.796 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.857 -6.891 3.293 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.881 -6.346 4.642 1.00 1.05 H new ATOM 257 N ILE A 17 -7.480 -3.957 3.730 1.00 0.42 N ATOM 258 CA ILE A 17 -6.290 -3.110 3.679 1.00 0.44 C ATOM 259 C ILE A 17 -6.649 -1.635 3.811 1.00 0.43 C ATOM 260 O ILE A 17 -5.957 -0.880 4.496 1.00 0.48 O ATOM 261 CB ILE A 17 -5.473 -3.326 2.386 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.359 -3.189 1.148 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.787 -4.685 2.409 1.00 0.58 C ATOM 264 CD1 ILE A 17 -5.582 -3.222 -0.147 1.00 0.98 C ATOM 0 H ILE A 17 -7.752 -4.363 2.835 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.672 -3.405 4.527 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.706 -2.553 2.337 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -7.093 -3.994 1.144 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -6.913 -2.252 1.208 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.216 -4.820 1.490 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -4.115 -4.739 3.265 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.538 -5.471 2.488 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.270 -3.120 -0.987 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -4.866 -2.400 -0.163 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.049 -4.169 -0.227 1.00 0.98 H new ATOM 276 N LYS A 18 -7.744 -1.229 3.183 1.00 0.42 N ATOM 277 CA LYS A 18 -8.178 0.161 3.243 1.00 0.48 C ATOM 278 C LYS A 18 -8.671 0.520 4.643 1.00 0.50 C ATOM 279 O LYS A 18 -8.740 1.689 5.002 1.00 0.63 O ATOM 280 CB LYS A 18 -9.274 0.439 2.213 1.00 0.56 C ATOM 281 CG LYS A 18 -10.571 -0.319 2.466 1.00 0.53 C ATOM 282 CD LYS A 18 -11.789 0.555 2.200 1.00 0.87 C ATOM 283 CE LYS A 18 -11.856 1.004 0.749 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.956 1.976 0.515 1.00 1.48 N ATOM 0 H LYS A 18 -8.346 -1.838 2.629 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.316 0.785 3.008 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.486 1.508 2.204 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.901 0.179 1.222 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.609 -1.201 1.827 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.593 -0.671 3.497 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.694 0.003 2.452 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.758 1.429 2.850 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.906 1.457 0.466 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.998 0.135 0.107 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.965 2.255 -0.487 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.866 1.536 0.760 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.808 2.818 1.108 1.00 1.48 H new ATOM 298 N LYS A 19 -9.005 -0.495 5.433 1.00 0.47 N ATOM 299 CA LYS A 19 -9.480 -0.274 6.793 1.00 0.53 C ATOM 300 C LYS A 19 -8.311 -0.289 7.770 1.00 0.54 C ATOM 301 O LYS A 19 -8.490 -0.382 8.986 1.00 0.67 O ATOM 302 CB LYS A 19 -10.516 -1.333 7.175 1.00 0.60 C ATOM 303 CG LYS A 19 -11.683 -0.779 7.981 1.00 0.84 C ATOM 304 CD LYS A 19 -12.535 0.186 7.161 1.00 1.09 C ATOM 305 CE LYS A 19 -13.448 -0.554 6.199 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.614 -1.151 6.897 1.00 1.68 N ATOM 0 H LYS A 19 -8.956 -1.475 5.156 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.957 0.705 6.841 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.900 -1.798 6.267 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.026 -2.117 7.752 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.304 -1.603 8.333 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.303 -0.266 8.865 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.134 0.803 7.831 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.886 0.860 6.602 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.798 0.133 5.428 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.885 -1.339 5.694 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.266 -1.560 6.197 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.287 -1.898 7.543 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -15.107 -0.415 7.441 1.00 1.68 H new ATOM 320 N HIS A 20 -7.108 -0.193 7.225 1.00 0.55 N ATOM 321 CA HIS A 20 -5.898 -0.180 8.030 1.00 0.59 C ATOM 322 C HIS A 20 -5.086 1.073 7.728 1.00 0.58 C ATOM 323 O HIS A 20 -3.903 1.144 8.045 1.00 0.66 O ATOM 324 CB HIS A 20 -5.050 -1.423 7.748 1.00 0.68 C ATOM 325 CG HIS A 20 -5.404 -2.612 8.592 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.320 -3.571 8.209 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.950 -2.998 9.807 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.413 -4.488 9.154 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.591 -4.167 10.132 1.00 1.13 N ATOM 0 H HIS A 20 -6.944 -0.122 6.221 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.184 -0.182 9.082 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.158 -1.692 6.697 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.000 -1.177 7.908 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.843 -3.571 7.333 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.218 -2.481 10.410 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.055 -5.356 9.129 1.00 1.07 H new ATOM 338 N ASN A 21 -5.738 2.071 7.137 1.00 0.58 N ATOM 339 CA ASN A 21 -5.077 3.326 6.766 1.00 0.61 C ATOM 340 C ASN A 21 -4.781 4.209 7.981 1.00 0.60 C ATOM 341 O ASN A 21 -5.106 5.395 8.001 1.00 0.75 O ATOM 342 CB ASN A 21 -5.923 4.104 5.744 1.00 0.72 C ATOM 343 CG ASN A 21 -7.372 4.307 6.169 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.740 4.102 7.328 1.00 0.96 O ATOM 345 ND2 ASN A 21 -8.207 4.716 5.225 1.00 0.88 N ATOM 0 H ASN A 21 -6.730 2.037 6.902 1.00 0.58 H new ATOM 0 HA ASN A 21 -4.122 3.058 6.314 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -5.465 5.078 5.574 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.905 3.573 4.792 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -9.190 4.872 5.446 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -7.866 4.875 4.277 1.00 0.88 H new ATOM 352 N HIS A 22 -4.144 3.631 8.985 1.00 0.64 N ATOM 353 CA HIS A 22 -3.794 4.364 10.191 1.00 0.76 C ATOM 354 C HIS A 22 -2.302 4.656 10.196 1.00 0.88 C ATOM 355 O HIS A 22 -1.549 4.058 9.429 1.00 1.61 O ATOM 356 CB HIS A 22 -4.189 3.577 11.445 1.00 0.83 C ATOM 357 CG HIS A 22 -5.667 3.524 11.681 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.391 4.588 12.172 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.562 2.525 11.482 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.662 4.249 12.267 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.794 3.003 11.851 1.00 1.09 N ATOM 0 H HIS A 22 -3.857 2.652 8.989 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.344 5.305 10.200 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.807 2.560 11.360 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -3.707 4.027 12.313 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.345 1.537 11.103 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.460 4.883 12.625 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.669 2.481 11.811 1.00 1.09 H new ATOM 370 N SER A 23 -1.876 5.556 11.070 1.00 0.60 N ATOM 371 CA SER A 23 -0.470 5.941 11.171 1.00 0.62 C ATOM 372 C SER A 23 0.402 4.819 11.747 1.00 0.52 C ATOM 373 O SER A 23 1.622 4.959 11.850 1.00 0.62 O ATOM 374 CB SER A 23 -0.371 7.186 12.045 1.00 0.84 C ATOM 375 OG SER A 23 -1.666 7.611 12.453 1.00 1.32 O ATOM 0 H SER A 23 -2.489 6.039 11.727 1.00 0.60 H new ATOM 0 HA SER A 23 -0.095 6.145 10.168 1.00 0.62 H new ATOM 0 HB2 SER A 23 0.242 6.975 12.921 1.00 0.84 H new ATOM 0 HB3 SER A 23 0.124 7.986 11.495 1.00 0.84 H new ATOM 0 HG SER A 23 -1.586 8.410 13.015 1.00 1.32 H new ATOM 381 N LYS A 24 -0.227 3.711 12.115 1.00 0.51 N ATOM 382 CA LYS A 24 0.488 2.574 12.682 1.00 0.51 C ATOM 383 C LYS A 24 0.489 1.380 11.727 1.00 0.44 C ATOM 384 O LYS A 24 1.071 0.339 12.028 1.00 0.45 O ATOM 385 CB LYS A 24 -0.144 2.177 14.015 1.00 0.71 C ATOM 386 CG LYS A 24 -1.591 1.720 13.895 1.00 0.97 C ATOM 387 CD LYS A 24 -2.357 1.940 15.188 1.00 1.41 C ATOM 388 CE LYS A 24 -1.723 1.199 16.354 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.362 1.553 17.646 1.00 2.36 N ATOM 0 H LYS A 24 -1.234 3.575 12.031 1.00 0.51 H new ATOM 0 HA LYS A 24 1.524 2.873 12.844 1.00 0.51 H new ATOM 0 HB2 LYS A 24 0.445 1.376 14.462 1.00 0.71 H new ATOM 0 HB3 LYS A 24 -0.096 3.026 14.697 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -2.079 2.264 13.086 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -1.618 0.663 13.631 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -2.393 3.006 15.412 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -3.387 1.605 15.062 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -1.806 0.125 16.190 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -0.659 1.433 16.398 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -1.902 1.027 18.416 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -2.261 2.574 17.815 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -3.372 1.306 17.613 1.00 2.36 H new ATOM 403 N SER A 25 -0.172 1.525 10.583 1.00 0.43 N ATOM 404 CA SER A 25 -0.240 0.455 9.591 1.00 0.42 C ATOM 405 C SER A 25 -0.522 1.028 8.202 1.00 0.42 C ATOM 406 O SER A 25 -1.310 0.474 7.440 1.00 0.50 O ATOM 407 CB SER A 25 -1.331 -0.560 9.963 1.00 0.48 C ATOM 408 OG SER A 25 -1.226 -0.960 11.323 1.00 0.83 O ATOM 0 H SER A 25 -0.670 2.375 10.318 1.00 0.43 H new ATOM 0 HA SER A 25 0.724 -0.053 9.576 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.313 -0.122 9.786 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.251 -1.435 9.318 1.00 0.48 H new ATOM 0 HG SER A 25 -1.934 -1.605 11.530 1.00 0.83 H new ATOM 414 N THR A 26 0.130 2.140 7.882 1.00 0.42 N ATOM 415 CA THR A 26 -0.056 2.801 6.599 1.00 0.43 C ATOM 416 C THR A 26 0.396 1.912 5.440 1.00 0.36 C ATOM 417 O THR A 26 1.588 1.813 5.141 1.00 0.41 O ATOM 418 CB THR A 26 0.710 4.136 6.557 1.00 0.51 C ATOM 419 OG1 THR A 26 0.531 4.837 7.794 1.00 0.64 O ATOM 420 CG2 THR A 26 0.227 5.009 5.408 1.00 0.56 C ATOM 0 H THR A 26 0.796 2.604 8.499 1.00 0.42 H new ATOM 0 HA THR A 26 -1.123 2.996 6.487 1.00 0.43 H new ATOM 0 HB THR A 26 1.767 3.916 6.405 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.300 4.541 8.220 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.785 5.945 5.403 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.384 4.487 4.464 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.835 5.221 5.533 1.00 0.56 H new ATOM 428 N TRP A 27 -0.569 1.259 4.809 1.00 0.35 N ATOM 429 CA TRP A 27 -0.295 0.378 3.688 1.00 0.33 C ATOM 430 C TRP A 27 -0.610 1.073 2.369 1.00 0.32 C ATOM 431 O TRP A 27 -1.654 1.712 2.226 1.00 0.36 O ATOM 432 CB TRP A 27 -1.113 -0.912 3.809 1.00 0.38 C ATOM 433 CG TRP A 27 -0.630 -1.831 4.890 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.571 -1.776 5.529 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.334 -2.946 5.452 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.662 -2.785 6.454 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.496 -3.519 6.428 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.589 -3.516 5.226 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.876 -4.631 7.179 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.965 -4.620 5.967 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.113 -5.166 6.936 1.00 0.71 C ATOM 0 H TRP A 27 -1.556 1.325 5.059 1.00 0.35 H new ATOM 0 HA TRP A 27 0.765 0.126 3.705 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.155 -0.655 4.001 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -1.086 -1.440 2.856 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.341 -1.044 5.336 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.462 -2.961 7.063 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.255 -3.101 4.484 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.219 -5.054 7.924 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.932 -5.070 5.796 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.438 -6.026 7.503 1.00 0.71 H new ATOM 452 N LEU A 28 0.300 0.956 1.417 1.00 0.32 N ATOM 453 CA LEU A 28 0.123 1.565 0.109 1.00 0.33 C ATOM 454 C LEU A 28 0.115 0.496 -0.973 1.00 0.32 C ATOM 455 O LEU A 28 0.868 -0.480 -0.895 1.00 0.32 O ATOM 456 CB LEU A 28 1.239 2.578 -0.155 1.00 0.36 C ATOM 457 CG LEU A 28 0.789 4.037 -0.230 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.973 4.970 -0.030 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.113 4.315 -1.562 1.00 0.99 C ATOM 0 H LEU A 28 1.174 0.442 1.526 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.835 2.085 0.091 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.986 2.485 0.633 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.730 2.317 -1.092 1.00 0.36 H new ATOM 0 HG LEU A 28 0.069 4.218 0.568 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.635 6.005 -0.086 1.00 0.85 H new ATOM 0 HD12 LEU A 28 2.419 4.787 0.947 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.715 4.788 -0.807 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.202 5.358 -1.600 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.813 4.118 -2.374 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.758 3.669 -1.670 1.00 0.99 H new ATOM 471 N ILE A 29 -0.741 0.673 -1.971 1.00 0.35 N ATOM 472 CA ILE A 29 -0.843 -0.281 -3.062 1.00 0.36 C ATOM 473 C ILE A 29 -0.074 0.202 -4.284 1.00 0.36 C ATOM 474 O ILE A 29 -0.380 1.253 -4.855 1.00 0.39 O ATOM 475 CB ILE A 29 -2.310 -0.539 -3.465 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.165 -0.814 -2.228 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.392 -1.706 -4.441 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.650 -0.759 -2.503 1.00 0.80 C ATOM 0 H ILE A 29 -1.374 1.469 -2.045 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.409 -1.213 -2.700 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.697 0.353 -3.957 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.912 -1.797 -1.832 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.918 -0.086 -1.455 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.433 -1.877 -4.717 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.813 -1.474 -5.335 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.989 -2.603 -3.970 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.198 -0.963 -1.583 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.915 0.232 -2.871 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.909 -1.506 -3.253 1.00 0.80 H new ATOM 490 N LEU A 30 0.932 -0.566 -4.666 1.00 0.34 N ATOM 491 CA LEU A 30 1.747 -0.254 -5.825 1.00 0.37 C ATOM 492 C LEU A 30 1.868 -1.492 -6.702 1.00 0.38 C ATOM 493 O LEU A 30 2.395 -2.514 -6.267 1.00 0.38 O ATOM 494 CB LEU A 30 3.135 0.238 -5.398 1.00 0.38 C ATOM 495 CG LEU A 30 3.150 1.543 -4.600 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.523 1.783 -3.996 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.747 2.716 -5.482 1.00 0.48 C ATOM 0 H LEU A 30 1.205 -1.421 -4.182 1.00 0.34 H new ATOM 0 HA LEU A 30 1.269 0.545 -6.391 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.610 -0.540 -4.800 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.746 0.371 -6.291 1.00 0.38 H new ATOM 0 HG LEU A 30 2.426 1.456 -3.790 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.514 2.716 -3.432 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.777 0.958 -3.330 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.265 1.847 -4.792 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.764 3.635 -4.896 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.446 2.803 -6.313 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.742 2.551 -5.869 1.00 0.48 H new ATOM 509 N HIS A 31 1.350 -1.400 -7.925 1.00 0.41 N ATOM 510 CA HIS A 31 1.377 -2.514 -8.880 1.00 0.43 C ATOM 511 C HIS A 31 0.551 -3.685 -8.347 1.00 0.42 C ATOM 512 O HIS A 31 0.876 -4.850 -8.583 1.00 0.45 O ATOM 513 CB HIS A 31 2.817 -2.966 -9.172 1.00 0.47 C ATOM 514 CG HIS A 31 3.624 -1.979 -9.955 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.452 -1.767 -11.304 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.627 -1.152 -9.573 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.316 -0.860 -11.720 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.041 -0.468 -10.690 1.00 1.18 N ATOM 0 H HIS A 31 0.901 -0.557 -8.284 1.00 0.41 H new ATOM 0 HA HIS A 31 0.940 -2.166 -9.816 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.323 -3.163 -8.227 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.786 -3.908 -9.719 1.00 0.47 H new ATOM 0 HD2 HIS A 31 5.027 -1.050 -8.575 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.413 -0.499 -12.733 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.786 0.228 -10.718 1.00 1.18 H new ATOM 527 N HIS A 32 -0.519 -3.344 -7.622 1.00 0.42 N ATOM 528 CA HIS A 32 -1.436 -4.324 -7.024 1.00 0.44 C ATOM 529 C HIS A 32 -0.766 -5.088 -5.883 1.00 0.40 C ATOM 530 O HIS A 32 -1.231 -6.153 -5.465 1.00 0.44 O ATOM 531 CB HIS A 32 -1.983 -5.294 -8.080 1.00 0.52 C ATOM 532 CG HIS A 32 -2.980 -4.670 -9.009 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.126 -5.053 -10.325 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.891 -3.689 -8.803 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.083 -4.334 -10.888 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.561 -3.501 -9.985 1.00 0.97 N ATOM 0 H HIS A 32 -0.776 -2.375 -7.432 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.278 -3.770 -6.609 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.152 -5.688 -8.664 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.449 -6.141 -7.576 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.059 -3.154 -7.880 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.416 -4.415 -11.912 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.309 -2.825 -10.140 1.00 0.97 H new ATOM 545 N LYS A 33 0.324 -4.529 -5.381 1.00 0.37 N ATOM 546 CA LYS A 33 1.062 -5.123 -4.281 1.00 0.37 C ATOM 547 C LYS A 33 0.988 -4.207 -3.069 1.00 0.33 C ATOM 548 O LYS A 33 0.976 -2.984 -3.212 1.00 0.36 O ATOM 549 CB LYS A 33 2.516 -5.373 -4.692 1.00 0.40 C ATOM 550 CG LYS A 33 2.651 -6.407 -5.796 1.00 0.57 C ATOM 551 CD LYS A 33 3.998 -6.324 -6.488 1.00 0.79 C ATOM 552 CE LYS A 33 4.096 -7.334 -7.620 1.00 0.94 C ATOM 553 NZ LYS A 33 4.328 -8.716 -7.121 1.00 1.02 N ATOM 0 H LYS A 33 0.720 -3.654 -5.724 1.00 0.37 H new ATOM 0 HA LYS A 33 0.618 -6.084 -4.021 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.960 -4.435 -5.024 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.082 -5.703 -3.821 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.519 -7.405 -5.377 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.857 -6.261 -6.529 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.147 -5.318 -6.880 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.793 -6.505 -5.765 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.177 -7.311 -8.206 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.908 -7.050 -8.289 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.456 -9.360 -7.928 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.182 -8.732 -6.527 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.509 -9.024 -6.559 1.00 1.02 H new ATOM 567 N VAL A 34 0.928 -4.796 -1.884 1.00 0.30 N ATOM 568 CA VAL A 34 0.823 -4.025 -0.654 1.00 0.30 C ATOM 569 C VAL A 34 2.191 -3.804 -0.023 1.00 0.27 C ATOM 570 O VAL A 34 2.896 -4.759 0.316 1.00 0.28 O ATOM 571 CB VAL A 34 -0.104 -4.715 0.375 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.319 -3.824 1.592 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.436 -5.079 -0.262 1.00 0.35 C ATOM 0 H VAL A 34 0.950 -5.807 -1.748 1.00 0.30 H new ATOM 0 HA VAL A 34 0.392 -3.061 -0.926 1.00 0.30 H new ATOM 0 HB VAL A 34 0.381 -5.633 0.706 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.974 -4.329 2.302 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.641 -3.618 2.066 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.778 -2.886 1.280 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.073 -5.563 0.478 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.925 -4.175 -0.626 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.266 -5.760 -1.096 1.00 0.35 H new ATOM 583 N TYR A 35 2.553 -2.541 0.132 1.00 0.28 N ATOM 584 CA TYR A 35 3.829 -2.172 0.727 1.00 0.28 C ATOM 585 C TYR A 35 3.601 -1.439 2.046 1.00 0.30 C ATOM 586 O TYR A 35 2.799 -0.501 2.112 1.00 0.32 O ATOM 587 CB TYR A 35 4.635 -1.291 -0.233 1.00 0.31 C ATOM 588 CG TYR A 35 5.079 -1.997 -1.497 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.249 -2.743 -1.522 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.333 -1.907 -2.663 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.661 -3.381 -2.675 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.742 -2.542 -3.820 1.00 0.47 C ATOM 593 CZ TYR A 35 5.907 -3.278 -3.821 1.00 0.41 C ATOM 594 OH TYR A 35 6.322 -3.907 -4.971 1.00 0.48 O ATOM 0 H TYR A 35 1.977 -1.748 -0.148 1.00 0.28 H new ATOM 0 HA TYR A 35 4.397 -3.082 0.921 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.032 -0.425 -0.506 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.515 -0.915 0.289 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.846 -2.826 -0.626 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.419 -1.332 -2.667 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.573 -3.960 -2.677 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.151 -2.462 -4.720 1.00 0.47 H new ATOM 0 HH TYR A 35 5.677 -3.736 -5.689 1.00 0.48 H new ATOM 604 N ASP A 36 4.295 -1.881 3.089 1.00 0.32 N ATOM 605 CA ASP A 36 4.183 -1.271 4.414 1.00 0.36 C ATOM 606 C ASP A 36 5.296 -0.256 4.619 1.00 0.38 C ATOM 607 O ASP A 36 6.477 -0.597 4.577 1.00 0.50 O ATOM 608 CB ASP A 36 4.254 -2.341 5.513 1.00 0.43 C ATOM 609 CG ASP A 36 3.869 -1.820 6.892 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.293 -0.701 7.272 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.149 -2.545 7.617 1.00 1.28 O ATOM 0 H ASP A 36 4.946 -2.665 3.044 1.00 0.32 H new ATOM 0 HA ASP A 36 3.218 -0.768 4.476 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.594 -3.167 5.248 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.267 -2.742 5.554 1.00 0.43 H new ATOM 616 N LEU A 37 4.916 0.991 4.831 1.00 0.37 N ATOM 617 CA LEU A 37 5.879 2.057 5.052 1.00 0.43 C ATOM 618 C LEU A 37 5.379 2.981 6.154 1.00 0.37 C ATOM 619 O LEU A 37 5.705 4.168 6.186 1.00 0.40 O ATOM 620 CB LEU A 37 6.123 2.849 3.758 1.00 0.56 C ATOM 621 CG LEU A 37 4.940 3.687 3.262 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.430 4.831 2.391 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.952 2.826 2.491 1.00 0.80 C ATOM 0 H LEU A 37 3.942 1.292 4.855 1.00 0.37 H new ATOM 0 HA LEU A 37 6.826 1.614 5.360 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.974 3.511 3.914 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.404 2.148 2.972 1.00 0.56 H new ATOM 0 HG LEU A 37 4.429 4.101 4.131 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.578 5.417 2.047 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.098 5.468 2.970 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.966 4.430 1.531 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.121 3.443 2.149 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.451 2.381 1.630 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.574 2.036 3.140 1.00 0.80 H new ATOM 635 N THR A 38 4.621 2.413 7.084 1.00 0.34 N ATOM 636 CA THR A 38 4.051 3.179 8.183 1.00 0.36 C ATOM 637 C THR A 38 5.133 3.831 9.048 1.00 0.38 C ATOM 638 O THR A 38 4.885 4.836 9.714 1.00 0.44 O ATOM 639 CB THR A 38 3.124 2.300 9.056 1.00 0.41 C ATOM 640 OG1 THR A 38 2.083 3.104 9.619 1.00 0.48 O ATOM 641 CG2 THR A 38 3.887 1.598 10.173 1.00 0.48 C ATOM 0 H THR A 38 4.387 1.420 7.098 1.00 0.34 H new ATOM 0 HA THR A 38 3.456 3.976 7.737 1.00 0.36 H new ATOM 0 HB THR A 38 2.697 1.532 8.411 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.424 3.575 10.408 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.197 0.992 10.760 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.656 0.957 9.741 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.355 2.342 10.817 1.00 0.48 H new ATOM 649 N LYS A 39 6.334 3.274 9.023 1.00 0.39 N ATOM 650 CA LYS A 39 7.432 3.817 9.805 1.00 0.47 C ATOM 651 C LYS A 39 8.466 4.482 8.905 1.00 0.47 C ATOM 652 O LYS A 39 9.531 4.884 9.363 1.00 0.59 O ATOM 653 CB LYS A 39 8.081 2.717 10.642 1.00 0.56 C ATOM 654 CG LYS A 39 7.515 2.624 12.048 1.00 0.75 C ATOM 655 CD LYS A 39 7.859 3.857 12.868 1.00 0.92 C ATOM 656 CE LYS A 39 6.685 4.301 13.722 1.00 1.27 C ATOM 657 NZ LYS A 39 7.050 5.434 14.611 1.00 1.50 N ATOM 0 H LYS A 39 6.572 2.449 8.472 1.00 0.39 H new ATOM 0 HA LYS A 39 7.030 4.576 10.476 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.947 1.759 10.139 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.154 2.899 10.700 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.432 2.509 11.999 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.908 1.735 12.542 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.715 3.643 13.507 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.153 4.668 12.202 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.857 4.596 13.077 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.336 3.463 14.325 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.224 5.710 15.179 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.823 5.144 15.243 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.359 6.242 14.034 1.00 1.50 H new ATOM 671 N PHE A 40 8.136 4.615 7.629 1.00 0.40 N ATOM 672 CA PHE A 40 9.044 5.234 6.676 1.00 0.44 C ATOM 673 C PHE A 40 8.446 6.518 6.117 1.00 0.40 C ATOM 674 O PHE A 40 9.006 7.125 5.209 1.00 0.42 O ATOM 675 CB PHE A 40 9.371 4.264 5.538 1.00 0.52 C ATOM 676 CG PHE A 40 10.813 3.840 5.510 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.305 2.950 6.451 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.675 4.333 4.542 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.629 2.558 6.427 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.999 3.945 4.514 1.00 2.45 C ATOM 681 CZ PHE A 40 13.477 3.056 5.458 1.00 2.68 C ATOM 0 H PHE A 40 7.250 4.304 7.231 1.00 0.40 H new ATOM 0 HA PHE A 40 9.967 5.482 7.199 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.742 3.379 5.633 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.120 4.733 4.587 1.00 0.52 H new ATOM 0 HD1 PHE A 40 10.646 2.558 7.212 1.00 1.66 H new ATOM 0 HD2 PHE A 40 11.306 5.028 3.802 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.001 1.863 7.165 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.661 4.336 3.755 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.513 2.751 5.438 1.00 2.68 H new ATOM 691 N LEU A 41 7.312 6.928 6.676 1.00 0.39 N ATOM 692 CA LEU A 41 6.627 8.142 6.237 1.00 0.43 C ATOM 693 C LEU A 41 7.511 9.368 6.437 1.00 0.44 C ATOM 694 O LEU A 41 7.546 10.267 5.600 1.00 0.47 O ATOM 695 CB LEU A 41 5.320 8.331 7.014 1.00 0.49 C ATOM 696 CG LEU A 41 4.347 7.153 6.971 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.196 7.380 7.938 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.817 6.946 5.562 1.00 0.59 C ATOM 0 H LEU A 41 6.845 6.436 7.438 1.00 0.39 H new ATOM 0 HA LEU A 41 6.406 8.033 5.175 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.565 8.538 8.056 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.811 9.213 6.624 1.00 0.49 H new ATOM 0 HG LEU A 41 4.885 6.254 7.273 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.512 6.532 7.895 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.586 7.481 8.951 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.663 8.290 7.662 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.126 6.103 5.553 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.296 7.845 5.233 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.648 6.741 4.887 1.00 0.59 H new ATOM 710 N GLU A 42 8.239 9.386 7.547 1.00 0.49 N ATOM 711 CA GLU A 42 9.121 10.502 7.868 1.00 0.56 C ATOM 712 C GLU A 42 10.502 10.319 7.251 1.00 0.54 C ATOM 713 O GLU A 42 11.359 11.195 7.354 1.00 0.66 O ATOM 714 CB GLU A 42 9.237 10.659 9.382 1.00 0.67 C ATOM 715 CG GLU A 42 9.503 9.358 10.117 1.00 0.72 C ATOM 716 CD GLU A 42 9.499 9.537 11.620 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.453 9.946 12.171 1.00 1.40 O ATOM 718 OE2 GLU A 42 10.540 9.266 12.257 1.00 1.50 O ATOM 0 H GLU A 42 8.236 8.639 8.241 1.00 0.49 H new ATOM 0 HA GLU A 42 8.685 11.406 7.444 1.00 0.56 H new ATOM 0 HB2 GLU A 42 10.041 11.361 9.604 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.315 11.098 9.763 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.746 8.625 9.839 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.467 8.956 9.804 1.00 0.72 H new ATOM 725 N GLU A 43 10.713 9.179 6.613 1.00 0.48 N ATOM 726 CA GLU A 43 11.988 8.887 5.972 1.00 0.50 C ATOM 727 C GLU A 43 11.814 8.921 4.458 1.00 0.43 C ATOM 728 O GLU A 43 12.695 8.512 3.700 1.00 0.54 O ATOM 729 CB GLU A 43 12.517 7.518 6.415 1.00 0.58 C ATOM 730 CG GLU A 43 12.713 7.393 7.920 1.00 0.76 C ATOM 731 CD GLU A 43 13.629 6.247 8.304 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.859 6.370 8.101 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.129 5.223 8.810 1.00 1.56 O ATOM 0 H GLU A 43 10.017 8.438 6.524 1.00 0.48 H new ATOM 0 HA GLU A 43 12.715 9.643 6.270 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.823 6.746 6.083 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.468 7.328 5.917 1.00 0.58 H new ATOM 0 HG2 GLU A 43 13.125 8.325 8.306 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.743 7.251 8.397 1.00 0.76 H new ATOM 740 N HIS A 44 10.661 9.419 4.034 1.00 0.43 N ATOM 741 CA HIS A 44 10.329 9.513 2.622 1.00 0.39 C ATOM 742 C HIS A 44 10.517 10.942 2.117 1.00 0.43 C ATOM 743 O HIS A 44 9.875 11.876 2.608 1.00 0.51 O ATOM 744 CB HIS A 44 8.887 9.047 2.395 1.00 0.41 C ATOM 745 CG HIS A 44 8.479 9.018 0.955 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.691 9.980 0.368 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.767 8.119 -0.023 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.526 9.650 -0.918 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.162 8.531 -1.208 1.00 0.41 N ATOM 0 H HIS A 44 9.933 9.768 4.657 1.00 0.43 H new ATOM 0 HA HIS A 44 11.002 8.866 2.060 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.767 8.049 2.817 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.212 9.707 2.941 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.301 10.801 0.831 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.367 7.230 0.099 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.948 10.225 -1.626 1.00 0.40 H new ATOM 757 N PRO A 45 11.402 11.130 1.129 1.00 0.44 N ATOM 758 CA PRO A 45 11.676 12.450 0.561 1.00 0.53 C ATOM 759 C PRO A 45 10.519 12.965 -0.292 1.00 0.62 C ATOM 760 O PRO A 45 10.245 12.447 -1.374 1.00 1.11 O ATOM 761 CB PRO A 45 12.918 12.216 -0.298 1.00 0.58 C ATOM 762 CG PRO A 45 12.871 10.775 -0.662 1.00 0.56 C ATOM 763 CD PRO A 45 12.209 10.071 0.491 1.00 0.44 C ATOM 0 HA PRO A 45 11.815 13.207 1.333 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.908 12.848 -1.186 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.828 12.454 0.252 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.309 10.625 -1.584 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.874 10.384 -0.833 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.587 9.243 0.151 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.943 9.656 1.182 1.00 0.44 H new ATOM 771 N GLY A 46 9.839 13.985 0.204 1.00 0.75 N ATOM 772 CA GLY A 46 8.720 14.546 -0.520 1.00 0.82 C ATOM 773 C GLY A 46 7.549 14.835 0.393 1.00 0.83 C ATOM 774 O GLY A 46 6.609 15.535 0.013 1.00 1.38 O ATOM 0 H GLY A 46 10.042 14.435 1.096 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.031 15.466 -1.014 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.409 13.853 -1.302 1.00 0.82 H new ATOM 778 N GLY A 47 7.599 14.277 1.595 1.00 0.66 N ATOM 779 CA GLY A 47 6.545 14.502 2.559 1.00 0.67 C ATOM 780 C GLY A 47 5.736 13.255 2.836 1.00 0.60 C ATOM 781 O GLY A 47 5.862 12.254 2.128 1.00 0.64 O ATOM 0 H GLY A 47 8.353 13.671 1.918 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.981 14.863 3.491 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.883 15.286 2.192 1.00 0.67 H new ATOM 785 N GLU A 48 4.904 13.325 3.865 1.00 0.61 N ATOM 786 CA GLU A 48 4.067 12.203 4.263 1.00 0.63 C ATOM 787 C GLU A 48 2.630 12.401 3.792 1.00 0.63 C ATOM 788 O GLU A 48 1.846 11.451 3.754 1.00 0.65 O ATOM 789 CB GLU A 48 4.088 12.044 5.787 1.00 0.76 C ATOM 790 CG GLU A 48 3.620 13.282 6.541 1.00 0.95 C ATOM 791 CD GLU A 48 3.225 12.982 7.972 1.00 1.21 C ATOM 792 OE1 GLU A 48 4.126 12.778 8.814 1.00 1.86 O ATOM 793 OE2 GLU A 48 2.009 12.943 8.262 1.00 1.79 O ATOM 0 H GLU A 48 4.790 14.157 4.445 1.00 0.61 H new ATOM 0 HA GLU A 48 4.466 11.302 3.797 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.455 11.201 6.064 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.102 11.799 6.103 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.416 14.027 6.537 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.770 13.721 6.018 1.00 0.95 H new ATOM 800 N GLU A 49 2.296 13.639 3.431 1.00 0.66 N ATOM 801 CA GLU A 49 0.952 13.982 2.975 1.00 0.74 C ATOM 802 C GLU A 49 0.529 13.125 1.785 1.00 0.68 C ATOM 803 O GLU A 49 -0.536 12.507 1.803 1.00 0.72 O ATOM 804 CB GLU A 49 0.882 15.465 2.601 1.00 0.86 C ATOM 805 CG GLU A 49 -0.530 16.029 2.604 1.00 1.10 C ATOM 806 CD GLU A 49 -1.216 15.887 3.948 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.874 16.646 4.882 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.099 15.016 4.082 1.00 1.69 O ATOM 0 H GLU A 49 2.944 14.426 3.446 1.00 0.66 H new ATOM 0 HA GLU A 49 0.263 13.783 3.796 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.494 16.036 3.299 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.317 15.602 1.611 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.496 17.083 2.328 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.122 15.519 1.844 1.00 1.10 H new ATOM 815 N VAL A 50 1.375 13.072 0.761 1.00 0.63 N ATOM 816 CA VAL A 50 1.074 12.288 -0.438 1.00 0.60 C ATOM 817 C VAL A 50 0.949 10.795 -0.130 1.00 0.54 C ATOM 818 O VAL A 50 0.268 10.060 -0.842 1.00 0.54 O ATOM 819 CB VAL A 50 2.142 12.489 -1.536 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.041 13.886 -2.128 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.544 12.240 -0.994 1.00 0.62 C ATOM 0 H VAL A 50 2.271 13.559 0.734 1.00 0.63 H new ATOM 0 HA VAL A 50 0.114 12.654 -0.803 1.00 0.60 H new ATOM 0 HB VAL A 50 1.953 11.761 -2.325 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.801 14.010 -2.900 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.053 14.025 -2.566 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.197 14.626 -1.343 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.274 12.389 -1.790 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.748 12.935 -0.180 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.615 11.217 -0.624 1.00 0.62 H new ATOM 831 N LEU A 51 1.585 10.354 0.947 1.00 0.52 N ATOM 832 CA LEU A 51 1.556 8.949 1.326 1.00 0.50 C ATOM 833 C LEU A 51 0.282 8.604 2.091 1.00 0.53 C ATOM 834 O LEU A 51 -0.384 7.614 1.793 1.00 0.55 O ATOM 835 CB LEU A 51 2.775 8.606 2.185 1.00 0.48 C ATOM 836 CG LEU A 51 4.130 8.973 1.579 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.235 8.732 2.593 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.386 8.175 0.308 1.00 0.47 C ATOM 0 H LEU A 51 2.127 10.949 1.573 1.00 0.52 H new ATOM 0 HA LEU A 51 1.577 8.360 0.409 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.676 9.113 3.145 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.765 7.535 2.388 1.00 0.48 H new ATOM 0 HG LEU A 51 4.119 10.031 1.316 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.197 8.996 2.153 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.059 9.347 3.476 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.243 7.680 2.879 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.355 8.452 -0.106 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.381 7.110 0.540 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.605 8.391 -0.421 1.00 0.47 H new ATOM 850 N ARG A 52 -0.061 9.437 3.064 1.00 0.59 N ATOM 851 CA ARG A 52 -1.239 9.203 3.893 1.00 0.66 C ATOM 852 C ARG A 52 -2.539 9.409 3.115 1.00 0.65 C ATOM 853 O ARG A 52 -3.568 8.819 3.451 1.00 0.69 O ATOM 854 CB ARG A 52 -1.212 10.108 5.131 1.00 0.79 C ATOM 855 CG ARG A 52 -1.331 11.591 4.817 1.00 0.97 C ATOM 856 CD ARG A 52 -2.706 12.129 5.178 1.00 1.22 C ATOM 857 NE ARG A 52 -2.892 12.235 6.625 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.720 13.359 7.317 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.376 14.480 6.697 1.00 2.00 N ATOM 860 NH2 ARG A 52 -2.901 13.366 8.631 1.00 2.61 N ATOM 0 H ARG A 52 0.459 10.282 3.300 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.209 8.161 4.211 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.027 9.821 5.795 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.283 9.936 5.674 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.568 12.142 5.366 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.142 11.756 3.756 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.842 13.110 4.722 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.472 11.475 4.761 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.170 11.397 7.135 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.242 14.483 5.686 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.245 15.339 7.231 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -3.172 12.509 9.113 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -2.769 14.228 9.159 1.00 2.61 H new ATOM 874 N GLU A 53 -2.502 10.241 2.080 1.00 0.64 N ATOM 875 CA GLU A 53 -3.698 10.498 1.288 1.00 0.68 C ATOM 876 C GLU A 53 -3.983 9.339 0.333 1.00 0.65 C ATOM 877 O GLU A 53 -5.117 9.154 -0.111 1.00 0.78 O ATOM 878 CB GLU A 53 -3.563 11.813 0.522 1.00 0.72 C ATOM 879 CG GLU A 53 -2.681 11.732 -0.710 1.00 0.67 C ATOM 880 CD GLU A 53 -2.695 13.018 -1.507 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.775 13.635 -1.618 1.00 1.35 O ATOM 882 OE2 GLU A 53 -1.633 13.420 -2.023 1.00 1.26 O ATOM 0 H GLU A 53 -1.669 10.743 1.773 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.544 10.584 1.970 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.556 12.148 0.222 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.160 12.571 1.194 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.659 11.504 -0.409 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -3.017 10.911 -1.343 1.00 0.67 H new ATOM 889 N GLN A 54 -2.955 8.558 0.026 1.00 0.57 N ATOM 890 CA GLN A 54 -3.105 7.416 -0.868 1.00 0.58 C ATOM 891 C GLN A 54 -3.105 6.115 -0.072 1.00 0.57 C ATOM 892 O GLN A 54 -3.144 5.025 -0.642 1.00 0.60 O ATOM 893 CB GLN A 54 -1.984 7.395 -1.912 1.00 0.57 C ATOM 894 CG GLN A 54 -1.986 8.603 -2.838 1.00 0.64 C ATOM 895 CD GLN A 54 -3.168 8.618 -3.786 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.087 8.116 -4.909 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.275 9.194 -3.344 1.00 0.96 N ATOM 0 H GLN A 54 -2.009 8.694 0.382 1.00 0.57 H new ATOM 0 HA GLN A 54 -4.059 7.511 -1.386 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -1.023 7.343 -1.399 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -2.075 6.489 -2.511 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.996 9.514 -2.239 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.062 8.612 -3.417 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.301 9.598 -2.408 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.102 9.234 -3.940 1.00 0.96 H new ATOM 906 N ALA A 55 -3.067 6.245 1.251 1.00 0.58 N ATOM 907 CA ALA A 55 -3.062 5.089 2.141 1.00 0.60 C ATOM 908 C ALA A 55 -4.337 4.269 1.978 1.00 0.61 C ATOM 909 O ALA A 55 -5.446 4.792 2.104 1.00 0.68 O ATOM 910 CB ALA A 55 -2.903 5.535 3.587 1.00 0.65 C ATOM 0 H ALA A 55 -3.039 7.144 1.732 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.215 4.458 1.872 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.901 4.662 4.239 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.963 6.074 3.700 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.731 6.189 3.859 1.00 0.65 H new ATOM 916 N GLY A 56 -4.170 2.985 1.702 1.00 0.59 N ATOM 917 CA GLY A 56 -5.311 2.114 1.514 1.00 0.64 C ATOM 918 C GLY A 56 -5.811 2.138 0.083 1.00 0.62 C ATOM 919 O GLY A 56 -6.808 1.491 -0.252 1.00 0.66 O ATOM 0 H GLY A 56 -3.263 2.530 1.605 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.038 1.094 1.786 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.115 2.419 2.184 1.00 0.64 H new ATOM 923 N GLY A 57 -5.121 2.895 -0.761 1.00 0.63 N ATOM 924 CA GLY A 57 -5.498 2.999 -2.153 1.00 0.65 C ATOM 925 C GLY A 57 -4.333 2.750 -3.083 1.00 0.59 C ATOM 926 O GLY A 57 -3.217 2.470 -2.639 1.00 0.55 O ATOM 0 H GLY A 57 -4.300 3.442 -0.501 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.291 2.282 -2.367 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.906 3.992 -2.343 1.00 0.65 H new ATOM 930 N ASP A 58 -4.595 2.856 -4.375 1.00 0.65 N ATOM 931 CA ASP A 58 -3.576 2.631 -5.388 1.00 0.62 C ATOM 932 C ASP A 58 -2.890 3.937 -5.769 1.00 0.61 C ATOM 933 O ASP A 58 -3.548 4.943 -6.043 1.00 0.71 O ATOM 934 CB ASP A 58 -4.202 1.974 -6.623 1.00 0.69 C ATOM 935 CG ASP A 58 -3.346 2.130 -7.863 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.167 1.715 -7.834 1.00 1.32 O ATOM 937 OD2 ASP A 58 -3.853 2.650 -8.879 1.00 1.51 O ATOM 0 H ASP A 58 -5.512 3.098 -4.750 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.820 1.962 -4.976 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.359 0.914 -6.426 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.183 2.413 -6.806 1.00 0.69 H new ATOM 942 N ALA A 59 -1.567 3.916 -5.771 1.00 0.55 N ATOM 943 CA ALA A 59 -0.787 5.089 -6.123 1.00 0.57 C ATOM 944 C ALA A 59 0.271 4.741 -7.161 1.00 0.54 C ATOM 945 O ALA A 59 1.248 5.475 -7.336 1.00 0.54 O ATOM 946 CB ALA A 59 -0.144 5.689 -4.886 1.00 0.60 C ATOM 0 H ALA A 59 -1.010 3.096 -5.532 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.459 5.830 -6.557 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.437 6.567 -5.168 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.920 5.979 -4.177 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.513 4.952 -4.424 1.00 0.60 H new ATOM 952 N THR A 60 0.069 3.623 -7.859 1.00 0.56 N ATOM 953 CA THR A 60 1.005 3.184 -8.886 1.00 0.57 C ATOM 954 C THR A 60 1.156 4.270 -9.945 1.00 0.57 C ATOM 955 O THR A 60 2.248 4.515 -10.459 1.00 0.58 O ATOM 956 CB THR A 60 0.538 1.878 -9.554 1.00 0.64 C ATOM 957 OG1 THR A 60 0.159 0.930 -8.551 1.00 0.67 O ATOM 958 CG2 THR A 60 1.634 1.288 -10.426 1.00 0.71 C ATOM 0 H THR A 60 -0.734 3.008 -7.730 1.00 0.56 H new ATOM 0 HA THR A 60 1.965 2.996 -8.405 1.00 0.57 H new ATOM 0 HB THR A 60 -0.319 2.106 -10.187 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.813 0.955 -8.427 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.277 0.366 -10.885 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.903 2.001 -11.205 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.510 1.073 -9.814 1.00 0.71 H new ATOM 966 N GLU A 61 0.043 4.927 -10.236 1.00 0.62 N ATOM 967 CA GLU A 61 0.010 6.008 -11.208 1.00 0.67 C ATOM 968 C GLU A 61 0.998 7.111 -10.830 1.00 0.63 C ATOM 969 O GLU A 61 1.789 7.552 -11.657 1.00 0.74 O ATOM 970 CB GLU A 61 -1.406 6.574 -11.298 1.00 0.78 C ATOM 971 CG GLU A 61 -2.170 6.482 -9.986 1.00 0.83 C ATOM 972 CD GLU A 61 -2.750 7.807 -9.556 1.00 1.06 C ATOM 973 OE1 GLU A 61 -2.037 8.583 -8.884 1.00 1.64 O ATOM 974 OE2 GLU A 61 -3.924 8.076 -9.877 1.00 1.48 O ATOM 0 H GLU A 61 -0.860 4.726 -9.806 1.00 0.62 H new ATOM 0 HA GLU A 61 0.303 5.612 -12.181 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.355 7.617 -11.609 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -1.957 6.038 -12.071 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.975 5.754 -10.089 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.503 6.112 -9.207 1.00 0.83 H new ATOM 981 N ASN A 62 0.955 7.532 -9.571 1.00 0.56 N ATOM 982 CA ASN A 62 1.845 8.575 -9.067 1.00 0.55 C ATOM 983 C ASN A 62 3.290 8.087 -9.025 1.00 0.50 C ATOM 984 O ASN A 62 4.222 8.854 -9.272 1.00 0.50 O ATOM 985 CB ASN A 62 1.411 9.010 -7.667 1.00 0.58 C ATOM 986 CG ASN A 62 0.855 10.419 -7.638 1.00 0.82 C ATOM 987 OD1 ASN A 62 1.590 11.385 -7.436 1.00 1.28 O ATOM 988 ND2 ASN A 62 -0.445 10.546 -7.846 1.00 1.32 N ATOM 0 H ASN A 62 0.308 7.164 -8.874 1.00 0.56 H new ATOM 0 HA ASN A 62 1.784 9.425 -9.746 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.656 8.318 -7.294 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.263 8.946 -6.991 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -0.874 11.471 -7.843 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -1.019 9.719 -8.010 1.00 1.32 H new ATOM 995 N PHE A 63 3.459 6.804 -8.716 1.00 0.48 N ATOM 996 CA PHE A 63 4.778 6.182 -8.634 1.00 0.46 C ATOM 997 C PHE A 63 5.552 6.376 -9.937 1.00 0.49 C ATOM 998 O PHE A 63 6.709 6.805 -9.931 1.00 0.50 O ATOM 999 CB PHE A 63 4.617 4.686 -8.331 1.00 0.48 C ATOM 1000 CG PHE A 63 5.889 3.985 -7.936 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.702 3.407 -8.895 1.00 0.70 C ATOM 1002 CD2 PHE A 63 6.262 3.896 -6.604 1.00 0.63 C ATOM 1003 CE1 PHE A 63 7.866 2.757 -8.536 1.00 0.77 C ATOM 1004 CE2 PHE A 63 7.426 3.247 -6.238 1.00 0.76 C ATOM 1005 CZ PHE A 63 8.229 2.678 -7.205 1.00 0.73 C ATOM 0 H PHE A 63 2.688 6.167 -8.516 1.00 0.48 H new ATOM 0 HA PHE A 63 5.343 6.657 -7.832 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.889 4.568 -7.529 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.205 4.193 -9.211 1.00 0.48 H new ATOM 0 HD1 PHE A 63 6.423 3.465 -9.937 1.00 0.70 H new ATOM 0 HD2 PHE A 63 5.636 4.339 -5.844 1.00 0.63 H new ATOM 0 HE1 PHE A 63 8.492 2.311 -9.295 1.00 0.77 H new ATOM 0 HE2 PHE A 63 7.707 3.185 -5.197 1.00 0.76 H new ATOM 0 HZ PHE A 63 9.140 2.172 -6.922 1.00 0.73 H new ATOM 1015 N GLU A 64 4.901 6.074 -11.052 1.00 0.53 N ATOM 1016 CA GLU A 64 5.524 6.210 -12.361 1.00 0.58 C ATOM 1017 C GLU A 64 5.429 7.642 -12.883 1.00 0.57 C ATOM 1018 O GLU A 64 6.262 8.075 -13.680 1.00 0.65 O ATOM 1019 CB GLU A 64 4.873 5.249 -13.352 1.00 0.69 C ATOM 1020 CG GLU A 64 3.358 5.254 -13.283 1.00 1.08 C ATOM 1021 CD GLU A 64 2.721 4.420 -14.364 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.880 3.182 -14.333 1.00 1.88 O ATOM 1023 OE2 GLU A 64 2.047 5.003 -15.241 1.00 1.89 O ATOM 0 H GLU A 64 3.940 5.733 -11.076 1.00 0.53 H new ATOM 0 HA GLU A 64 6.580 5.963 -12.255 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.185 5.513 -14.362 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.236 4.239 -13.160 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.042 4.881 -12.309 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.999 6.280 -13.363 1.00 1.08 H new ATOM 1030 N ASP A 65 4.409 8.366 -12.438 1.00 0.54 N ATOM 1031 CA ASP A 65 4.202 9.748 -12.864 1.00 0.55 C ATOM 1032 C ASP A 65 5.349 10.634 -12.403 1.00 0.53 C ATOM 1033 O ASP A 65 5.904 11.409 -13.183 1.00 0.58 O ATOM 1034 CB ASP A 65 2.881 10.281 -12.313 1.00 0.57 C ATOM 1035 CG ASP A 65 2.515 11.625 -12.899 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.388 11.722 -14.137 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.343 12.592 -12.126 1.00 0.79 O ATOM 0 H ASP A 65 3.710 8.020 -11.781 1.00 0.54 H new ATOM 0 HA ASP A 65 4.167 9.764 -13.953 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.086 9.566 -12.526 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.951 10.367 -11.229 1.00 0.57 H new ATOM 1042 N VAL A 66 5.703 10.510 -11.134 1.00 0.50 N ATOM 1043 CA VAL A 66 6.789 11.292 -10.565 1.00 0.52 C ATOM 1044 C VAL A 66 8.134 10.771 -11.057 1.00 0.50 C ATOM 1045 O VAL A 66 8.966 11.533 -11.552 1.00 0.55 O ATOM 1046 CB VAL A 66 6.763 11.257 -9.024 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.945 12.026 -8.445 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.452 11.825 -8.500 1.00 0.60 C ATOM 0 H VAL A 66 5.253 9.873 -10.477 1.00 0.50 H new ATOM 0 HA VAL A 66 6.653 12.323 -10.891 1.00 0.52 H new ATOM 0 HB VAL A 66 6.843 10.217 -8.706 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.906 11.988 -7.356 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.876 11.577 -8.791 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.900 13.064 -8.773 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.451 11.792 -7.410 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.344 12.857 -8.832 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.620 11.232 -8.881 1.00 0.60 H new ATOM 1058 N GLY A 67 8.334 9.467 -10.927 1.00 0.50 N ATOM 1059 CA GLY A 67 9.576 8.858 -11.351 1.00 0.54 C ATOM 1060 C GLY A 67 10.412 8.397 -10.178 1.00 0.54 C ATOM 1061 O GLY A 67 10.825 9.202 -9.344 1.00 0.82 O ATOM 0 H GLY A 67 7.653 8.818 -10.533 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.360 8.008 -11.998 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.146 9.573 -11.944 1.00 0.54 H new ATOM 1065 N HIS A 68 10.645 7.096 -10.106 1.00 0.45 N ATOM 1066 CA HIS A 68 11.434 6.518 -9.028 1.00 0.42 C ATOM 1067 C HIS A 68 12.679 5.844 -9.585 1.00 0.47 C ATOM 1068 O HIS A 68 12.611 5.113 -10.576 1.00 0.58 O ATOM 1069 CB HIS A 68 10.601 5.505 -8.240 1.00 0.39 C ATOM 1070 CG HIS A 68 9.663 6.124 -7.249 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.418 6.621 -7.570 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.803 6.312 -5.910 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.855 7.083 -6.444 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.655 6.919 -5.411 1.00 0.40 N ATOM 0 H HIS A 68 10.298 6.417 -10.784 1.00 0.45 H new ATOM 0 HA HIS A 68 11.738 7.321 -8.357 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.025 4.901 -8.941 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.274 4.828 -7.714 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.999 6.635 -8.500 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.668 6.034 -5.326 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.874 7.531 -6.391 1.00 0.35 H new ATOM 1082 N SER A 69 13.814 6.095 -8.950 1.00 0.45 N ATOM 1083 CA SER A 69 15.077 5.517 -9.382 1.00 0.50 C ATOM 1084 C SER A 69 15.152 4.029 -9.026 1.00 0.50 C ATOM 1085 O SER A 69 14.299 3.511 -8.296 1.00 0.46 O ATOM 1086 CB SER A 69 16.229 6.283 -8.743 1.00 0.55 C ATOM 1087 OG SER A 69 16.044 7.684 -8.887 1.00 1.01 O ATOM 0 H SER A 69 13.886 6.698 -8.130 1.00 0.45 H new ATOM 0 HA SER A 69 15.149 5.599 -10.467 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.299 6.028 -7.686 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.170 5.986 -9.206 1.00 0.55 H new ATOM 0 HG SER A 69 15.318 7.980 -8.299 1.00 1.01 H new ATOM 1093 N THR A 70 16.173 3.346 -9.547 1.00 0.59 N ATOM 1094 CA THR A 70 16.371 1.921 -9.300 1.00 0.64 C ATOM 1095 C THR A 70 16.460 1.621 -7.805 1.00 0.61 C ATOM 1096 O THR A 70 15.799 0.714 -7.303 1.00 0.66 O ATOM 1097 CB THR A 70 17.655 1.414 -9.992 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.862 2.132 -11.217 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.571 -0.079 -10.280 1.00 1.08 C ATOM 0 H THR A 70 16.882 3.765 -10.149 1.00 0.59 H new ATOM 0 HA THR A 70 15.506 1.403 -9.715 1.00 0.64 H new ATOM 0 HB THR A 70 18.495 1.586 -9.319 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.678 1.808 -11.652 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.489 -0.408 -10.767 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.442 -0.623 -9.345 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.722 -0.276 -10.935 1.00 1.08 H new ATOM 1107 N ASP A 71 17.264 2.408 -7.098 1.00 0.60 N ATOM 1108 CA ASP A 71 17.453 2.233 -5.661 1.00 0.61 C ATOM 1109 C ASP A 71 16.126 2.306 -4.915 1.00 0.54 C ATOM 1110 O ASP A 71 15.894 1.550 -3.972 1.00 0.56 O ATOM 1111 CB ASP A 71 18.410 3.297 -5.120 1.00 0.70 C ATOM 1112 CG ASP A 71 18.661 3.149 -3.634 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.425 2.240 -3.245 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.101 3.933 -2.844 1.00 1.29 O ATOM 0 H ASP A 71 17.799 3.178 -7.499 1.00 0.60 H new ATOM 0 HA ASP A 71 17.882 1.244 -5.499 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.358 3.233 -5.654 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.998 4.286 -5.319 1.00 0.70 H new ATOM 1119 N ALA A 72 15.251 3.197 -5.366 1.00 0.48 N ATOM 1120 CA ALA A 72 13.949 3.385 -4.742 1.00 0.44 C ATOM 1121 C ALA A 72 13.067 2.149 -4.895 1.00 0.42 C ATOM 1122 O ALA A 72 12.532 1.632 -3.916 1.00 0.43 O ATOM 1123 CB ALA A 72 13.259 4.603 -5.335 1.00 0.47 C ATOM 0 H ALA A 72 15.423 3.804 -6.167 1.00 0.48 H new ATOM 0 HA ALA A 72 14.109 3.545 -3.676 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.286 4.736 -4.862 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.871 5.488 -5.161 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.125 4.459 -6.407 1.00 0.47 H new ATOM 1129 N ARG A 73 12.934 1.664 -6.123 1.00 0.44 N ATOM 1130 CA ARG A 73 12.099 0.497 -6.388 1.00 0.48 C ATOM 1131 C ARG A 73 12.679 -0.767 -5.749 1.00 0.49 C ATOM 1132 O ARG A 73 11.936 -1.643 -5.308 1.00 0.56 O ATOM 1133 CB ARG A 73 11.891 0.304 -7.894 1.00 0.54 C ATOM 1134 CG ARG A 73 13.175 0.174 -8.695 1.00 0.68 C ATOM 1135 CD ARG A 73 13.438 -1.266 -9.093 1.00 0.74 C ATOM 1136 NE ARG A 73 12.485 -1.730 -10.098 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.346 -3.000 -10.457 1.00 1.08 C ATOM 1138 NH1 ARG A 73 13.074 -3.945 -9.872 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.472 -3.328 -11.401 1.00 1.36 N ATOM 0 H ARG A 73 13.390 2.057 -6.947 1.00 0.44 H new ATOM 0 HA ARG A 73 11.126 0.678 -5.930 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.286 -0.589 -8.053 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.320 1.148 -8.280 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.112 0.794 -9.589 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.012 0.549 -8.106 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.452 -1.357 -9.483 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.377 -1.904 -8.212 1.00 0.74 H new ATOM 0 HE ARG A 73 11.891 -1.036 -10.551 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.743 -3.696 -9.144 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.964 -4.920 -10.151 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.909 -2.605 -11.849 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.363 -4.303 -11.679 1.00 1.36 H new ATOM 1153 N GLU A 74 14.002 -0.857 -5.684 1.00 0.47 N ATOM 1154 CA GLU A 74 14.656 -2.018 -5.085 1.00 0.51 C ATOM 1155 C GLU A 74 14.473 -2.012 -3.565 1.00 0.49 C ATOM 1156 O GLU A 74 14.388 -3.064 -2.932 1.00 0.55 O ATOM 1157 CB GLU A 74 16.145 -2.039 -5.436 1.00 0.57 C ATOM 1158 CG GLU A 74 16.422 -2.260 -6.914 1.00 0.65 C ATOM 1159 CD GLU A 74 16.106 -3.672 -7.360 1.00 0.75 C ATOM 1160 OE1 GLU A 74 16.882 -4.591 -7.026 1.00 1.01 O ATOM 1161 OE2 GLU A 74 15.084 -3.872 -8.054 1.00 0.84 O ATOM 0 H GLU A 74 14.642 -0.145 -6.036 1.00 0.47 H new ATOM 0 HA GLU A 74 14.191 -2.917 -5.490 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.595 -1.095 -5.128 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.633 -2.827 -4.862 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.830 -1.557 -7.500 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.470 -2.044 -7.120 1.00 0.65 H new ATOM 1168 N LEU A 75 14.388 -0.815 -2.993 1.00 0.47 N ATOM 1169 CA LEU A 75 14.219 -0.655 -1.551 1.00 0.48 C ATOM 1170 C LEU A 75 12.830 -1.112 -1.102 1.00 0.43 C ATOM 1171 O LEU A 75 12.651 -1.557 0.031 1.00 0.44 O ATOM 1172 CB LEU A 75 14.434 0.813 -1.161 1.00 0.53 C ATOM 1173 CG LEU A 75 14.131 1.165 0.298 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.181 0.574 1.225 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.051 2.676 0.475 1.00 0.61 C ATOM 0 H LEU A 75 14.434 0.064 -3.509 1.00 0.47 H new ATOM 0 HA LEU A 75 14.960 -1.279 -1.051 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.470 1.077 -1.371 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.810 1.435 -1.803 1.00 0.53 H new ATOM 0 HG LEU A 75 13.165 0.734 0.560 1.00 0.56 H new ATOM 0 HD11 LEU A 75 14.945 0.837 2.256 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.190 -0.511 1.120 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.162 0.972 0.964 1.00 0.65 H new ATOM 0 HD21 LEU A 75 13.835 2.909 1.518 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.002 3.126 0.192 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.258 3.075 -0.158 1.00 0.61 H new ATOM 1187 N SER A 76 11.852 -1.026 -1.998 1.00 0.45 N ATOM 1188 CA SER A 76 10.484 -1.416 -1.669 1.00 0.46 C ATOM 1189 C SER A 76 10.363 -2.925 -1.433 1.00 0.43 C ATOM 1190 O SER A 76 9.361 -3.399 -0.899 1.00 0.45 O ATOM 1191 CB SER A 76 9.514 -0.959 -2.766 1.00 0.55 C ATOM 1192 OG SER A 76 9.689 -1.701 -3.962 1.00 0.82 O ATOM 0 H SER A 76 11.979 -0.692 -2.953 1.00 0.45 H new ATOM 0 HA SER A 76 10.217 -0.918 -0.737 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.488 -1.071 -2.415 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.667 0.101 -2.969 1.00 0.55 H new ATOM 0 HG SER A 76 10.585 -1.535 -4.322 1.00 0.82 H new ATOM 1198 N LYS A 77 11.405 -3.674 -1.790 1.00 0.45 N ATOM 1199 CA LYS A 77 11.402 -5.126 -1.620 1.00 0.51 C ATOM 1200 C LYS A 77 11.441 -5.512 -0.136 1.00 0.47 C ATOM 1201 O LYS A 77 11.262 -6.677 0.227 1.00 0.56 O ATOM 1202 CB LYS A 77 12.583 -5.753 -2.366 1.00 0.63 C ATOM 1203 CG LYS A 77 12.438 -7.250 -2.601 1.00 0.94 C ATOM 1204 CD LYS A 77 13.572 -7.787 -3.458 1.00 1.20 C ATOM 1205 CE LYS A 77 13.523 -9.303 -3.568 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.679 -9.841 -4.333 1.00 1.89 N ATOM 0 H LYS A 77 12.261 -3.300 -2.198 1.00 0.45 H new ATOM 0 HA LYS A 77 10.474 -5.512 -2.043 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.699 -5.254 -3.328 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.496 -5.571 -1.800 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.425 -7.771 -1.644 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.484 -7.453 -3.088 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.515 -7.348 -4.454 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.527 -7.484 -3.030 1.00 1.20 H new ATOM 0 HE2 LYS A 77 13.514 -9.739 -2.569 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.595 -9.602 -4.055 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.609 -10.877 -4.385 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.674 -9.445 -5.294 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.564 -9.578 -3.855 1.00 1.89 H new ATOM 1220 N THR A 78 11.685 -4.536 0.726 1.00 0.42 N ATOM 1221 CA THR A 78 11.713 -4.793 2.153 1.00 0.48 C ATOM 1222 C THR A 78 10.426 -4.286 2.805 1.00 0.43 C ATOM 1223 O THR A 78 10.248 -4.387 4.020 1.00 0.53 O ATOM 1224 CB THR A 78 12.954 -4.160 2.827 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.190 -4.782 4.095 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.788 -2.658 3.019 1.00 0.63 C ATOM 0 H THR A 78 11.865 -3.567 0.463 1.00 0.42 H new ATOM 0 HA THR A 78 11.782 -5.871 2.296 1.00 0.48 H new ATOM 0 HB THR A 78 13.807 -4.323 2.168 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.334 -4.940 4.546 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.680 -2.251 3.495 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.644 -2.181 2.050 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.920 -2.466 3.650 1.00 0.63 H new ATOM 1234 N PHE A 79 9.525 -3.756 1.980 1.00 0.36 N ATOM 1235 CA PHE A 79 8.253 -3.234 2.468 1.00 0.38 C ATOM 1236 C PHE A 79 7.089 -4.116 2.019 1.00 0.32 C ATOM 1237 O PHE A 79 5.976 -3.993 2.523 1.00 0.33 O ATOM 1238 CB PHE A 79 8.030 -1.802 1.968 1.00 0.46 C ATOM 1239 CG PHE A 79 9.078 -0.820 2.411 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.581 -0.846 3.703 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.565 0.131 1.528 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.545 0.058 4.104 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.529 1.036 1.923 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.022 0.999 3.213 1.00 0.70 C ATOM 0 H PHE A 79 9.653 -3.677 0.971 1.00 0.36 H new ATOM 0 HA PHE A 79 8.293 -3.233 3.557 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.996 -1.812 0.879 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.056 -1.457 2.315 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.215 -1.582 4.404 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.185 0.164 0.518 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.926 0.029 5.114 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.898 1.772 1.224 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.779 1.704 3.524 1.00 0.70 H new ATOM 1254 N ILE A 80 7.351 -4.997 1.059 1.00 0.38 N ATOM 1255 CA ILE A 80 6.322 -5.892 0.539 1.00 0.36 C ATOM 1256 C ILE A 80 5.970 -6.975 1.562 1.00 0.33 C ATOM 1257 O ILE A 80 6.818 -7.774 1.963 1.00 0.42 O ATOM 1258 CB ILE A 80 6.761 -6.540 -0.800 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.722 -7.552 -1.282 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.129 -7.197 -0.677 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.484 -6.914 -1.867 1.00 0.72 C ATOM 0 H ILE A 80 8.267 -5.111 0.625 1.00 0.38 H new ATOM 0 HA ILE A 80 5.432 -5.291 0.350 1.00 0.36 H new ATOM 0 HB ILE A 80 6.837 -5.744 -1.541 1.00 0.46 H new ATOM 0 HG12 ILE A 80 6.177 -8.198 -2.033 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.432 -8.189 -0.446 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.406 -7.641 -1.633 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.869 -6.447 -0.397 1.00 0.58 H new ATOM 0 HG23 ILE A 80 8.092 -7.974 0.087 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.791 -7.692 -2.188 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.005 -6.290 -1.112 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.761 -6.299 -2.723 1.00 0.72 H new ATOM 1273 N ILE A 81 4.717 -6.975 2.003 1.00 0.28 N ATOM 1274 CA ILE A 81 4.254 -7.960 2.979 1.00 0.32 C ATOM 1275 C ILE A 81 3.048 -8.739 2.458 1.00 0.29 C ATOM 1276 O ILE A 81 2.729 -9.819 2.957 1.00 0.31 O ATOM 1277 CB ILE A 81 3.896 -7.322 4.349 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.597 -6.500 4.273 1.00 0.50 C ATOM 1279 CG2 ILE A 81 5.047 -6.464 4.856 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.744 -5.151 3.600 1.00 0.77 C ATOM 0 H ILE A 81 4.005 -6.309 1.703 1.00 0.28 H new ATOM 0 HA ILE A 81 5.090 -8.643 3.130 1.00 0.32 H new ATOM 0 HB ILE A 81 3.728 -8.134 5.056 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.846 -7.080 3.736 1.00 0.50 H new ATOM 0 HG13 ILE A 81 2.219 -6.348 5.284 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.778 -6.025 5.817 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.937 -7.082 4.976 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.252 -5.669 4.139 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.780 -4.642 3.591 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.468 -4.548 4.148 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.090 -5.291 2.576 1.00 0.77 H new ATOM 1292 N GLY A 82 2.385 -8.204 1.445 1.00 0.32 N ATOM 1293 CA GLY A 82 1.226 -8.875 0.904 1.00 0.35 C ATOM 1294 C GLY A 82 0.810 -8.329 -0.443 1.00 0.31 C ATOM 1295 O GLY A 82 1.416 -7.388 -0.951 1.00 0.34 O ATOM 0 H GLY A 82 2.628 -7.323 0.991 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.439 -9.940 0.809 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.396 -8.777 1.603 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.225 -8.919 -1.016 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.734 -8.496 -2.314 1.00 0.31 C ATOM 1301 C GLU A 83 -2.253 -8.500 -2.310 1.00 0.32 C ATOM 1302 O GLU A 83 -2.872 -8.969 -1.357 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.219 -9.417 -3.417 1.00 0.37 C ATOM 1304 CG GLU A 83 1.212 -9.128 -3.826 1.00 0.61 C ATOM 1305 CD GLU A 83 1.616 -9.845 -5.097 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.724 -10.247 -5.874 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.833 -10.011 -5.326 1.00 0.86 O ATOM 0 H GLU A 83 -0.734 -9.699 -0.600 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.380 -7.483 -2.507 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.290 -10.451 -3.079 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.865 -9.322 -4.290 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.335 -8.054 -3.965 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.882 -9.424 -3.019 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.841 -7.973 -3.372 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.289 -7.917 -3.494 1.00 0.44 C ATOM 1316 C LEU A 84 -4.842 -9.240 -4.007 1.00 0.40 C ATOM 1317 O LEU A 84 -4.181 -9.947 -4.772 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.708 -6.785 -4.440 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.099 -5.464 -3.768 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.322 -5.651 -2.881 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.934 -4.900 -2.970 1.00 0.87 C ATOM 0 H LEU A 84 -2.336 -7.577 -4.165 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.699 -7.724 -2.502 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.887 -6.591 -5.130 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.551 -7.130 -5.038 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.353 -4.748 -4.549 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.582 -4.701 -2.414 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.160 -5.999 -3.485 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.102 -6.387 -2.108 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.234 -3.962 -2.502 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.642 -5.613 -2.199 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.090 -4.719 -3.636 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.051 -9.566 -3.572 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.725 -10.791 -3.986 1.00 0.48 C ATOM 1335 C HIS A 85 -7.008 -10.751 -5.485 1.00 0.42 C ATOM 1336 O HIS A 85 -7.237 -9.677 -6.039 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.042 -10.958 -3.215 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.096 -12.197 -2.375 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.939 -13.257 -2.645 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.406 -12.543 -1.262 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.760 -14.200 -1.737 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.838 -13.789 -0.889 1.00 1.10 N ATOM 0 H HIS A 85 -6.591 -8.992 -2.925 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.075 -11.638 -3.767 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.190 -10.089 -2.574 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.869 -10.975 -3.925 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.597 -13.304 -3.423 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -6.656 -11.948 -0.762 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.280 -15.146 -1.696 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.003 -11.913 -6.167 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.271 -11.977 -7.609 1.00 0.44 C ATOM 1353 C PRO A 86 -8.669 -11.462 -7.937 1.00 0.40 C ATOM 1354 O PRO A 86 -8.916 -10.918 -9.018 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.157 -13.471 -7.939 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.307 -14.173 -6.634 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.739 -13.246 -5.598 1.00 0.53 C ATOM 0 HA PRO A 86 -6.583 -11.359 -8.185 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.931 -13.779 -8.643 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.197 -13.700 -8.401 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.354 -14.394 -6.428 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.776 -15.125 -6.639 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.224 -13.375 -4.631 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.673 -13.416 -5.445 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.571 -11.624 -6.978 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.949 -11.178 -7.116 1.00 0.43 C ATOM 1367 C ASP A 87 -10.998 -9.669 -7.293 1.00 0.41 C ATOM 1368 O ASP A 87 -11.680 -9.154 -8.178 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.760 -11.586 -5.884 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.513 -13.027 -5.490 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.528 -13.284 -4.758 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.286 -13.908 -5.926 1.00 1.30 O ATOM 0 H ASP A 87 -9.367 -12.068 -6.083 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.382 -11.650 -7.998 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.503 -10.934 -5.049 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.822 -11.443 -6.086 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.239 -8.971 -6.464 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.172 -7.515 -6.514 1.00 0.50 C ATOM 1379 C ASP A 88 -9.077 -7.071 -7.476 1.00 0.49 C ATOM 1380 O ASP A 88 -8.674 -5.910 -7.489 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.879 -6.944 -5.121 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.877 -7.392 -4.070 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.933 -6.743 -3.927 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.602 -8.392 -3.369 1.00 1.20 O ATOM 0 H ASP A 88 -9.655 -9.392 -5.741 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.135 -7.142 -6.861 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.878 -7.247 -4.814 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.881 -5.855 -5.174 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.592 -8.006 -8.283 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.530 -7.709 -9.230 1.00 0.51 C ATOM 1391 C ARG A 89 -7.986 -7.867 -10.679 1.00 0.57 C ATOM 1392 O ARG A 89 -7.643 -7.045 -11.525 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.321 -8.613 -8.964 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.034 -8.119 -9.603 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.913 -9.146 -9.483 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.502 -9.366 -8.092 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.234 -9.532 -7.706 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.250 -9.449 -8.594 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -1.952 -9.776 -6.432 1.00 0.81 N ATOM 0 H ARG A 89 -8.917 -8.973 -8.299 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.250 -6.665 -9.086 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.172 -8.698 -7.888 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.539 -9.614 -9.335 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.212 -7.897 -10.655 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.726 -7.187 -9.128 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.242 -10.091 -9.915 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.054 -8.811 -10.064 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.228 -9.394 -7.376 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.462 -9.258 -9.573 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.283 -9.576 -8.297 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.704 -9.837 -5.746 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -0.983 -9.902 -6.139 1.00 0.81 H new ATOM 1413 N SER A 90 -8.747 -8.916 -10.980 1.00 0.50 N ATOM 1414 CA SER A 90 -9.188 -9.140 -12.354 1.00 0.59 C ATOM 1415 C SER A 90 -10.695 -9.398 -12.470 1.00 0.57 C ATOM 1416 O SER A 90 -11.185 -9.709 -13.552 1.00 0.88 O ATOM 1417 CB SER A 90 -8.417 -10.322 -12.950 1.00 0.71 C ATOM 1418 OG SER A 90 -7.212 -10.560 -12.231 1.00 1.16 O ATOM 0 H SER A 90 -9.066 -9.612 -10.306 1.00 0.50 H new ATOM 0 HA SER A 90 -8.981 -8.225 -12.908 1.00 0.59 H new ATOM 0 HB2 SER A 90 -9.040 -11.216 -12.928 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.187 -10.120 -13.996 1.00 0.71 H new ATOM 0 HG SER A 90 -6.738 -11.320 -12.629 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.435 -9.277 -11.374 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.878 -9.515 -11.427 1.00 0.49 C ATOM 1426 C LYS A 91 -13.655 -8.266 -11.034 1.00 0.51 C ATOM 1427 O LYS A 91 -14.452 -7.747 -11.817 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.295 -10.672 -10.511 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.381 -11.889 -10.559 1.00 1.02 C ATOM 1430 CD LYS A 91 -12.964 -13.064 -9.774 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.855 -12.596 -8.626 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.254 -13.708 -7.726 1.00 1.76 N ATOM 0 H LYS A 91 -11.073 -9.021 -10.455 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.114 -9.779 -12.458 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -13.336 -10.307 -9.485 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -14.305 -10.983 -10.780 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -12.224 -12.186 -11.596 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -11.405 -11.627 -10.151 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.541 -13.699 -10.446 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -12.152 -13.674 -9.378 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -13.329 -11.836 -8.048 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -14.749 -12.124 -9.033 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -15.233 -13.562 -7.407 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.188 -14.610 -8.239 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.621 -13.731 -6.901 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.420 -7.801 -9.805 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.088 -6.616 -9.260 1.00 0.55 C ATOM 1448 C LEU A 92 -15.586 -6.871 -9.087 1.00 0.58 C ATOM 1449 O LEU A 92 -16.390 -5.939 -9.057 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.851 -5.382 -10.150 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.663 -4.498 -9.756 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.842 -3.948 -8.352 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.357 -5.273 -9.861 1.00 0.90 C ATOM 0 H LEU A 92 -12.761 -8.235 -9.159 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.655 -6.412 -8.281 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.705 -5.719 -11.176 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.754 -4.771 -10.141 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.622 -3.659 -10.450 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.987 -3.324 -8.094 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.753 -3.351 -8.308 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.915 -4.774 -7.644 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.527 -4.627 -9.577 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.391 -6.135 -9.194 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.217 -5.613 -10.887 1.00 0.90 H new ATOM 1465 N SER A 93 -15.948 -8.143 -8.967 1.00 0.52 N ATOM 1466 CA SER A 93 -17.336 -8.538 -8.795 1.00 0.57 C ATOM 1467 C SER A 93 -17.687 -8.616 -7.310 1.00 0.58 C ATOM 1468 O SER A 93 -17.936 -9.697 -6.774 1.00 0.70 O ATOM 1469 CB SER A 93 -17.576 -9.893 -9.466 1.00 0.62 C ATOM 1470 OG SER A 93 -16.857 -9.993 -10.688 1.00 0.70 O ATOM 0 H SER A 93 -15.291 -8.923 -8.986 1.00 0.52 H new ATOM 0 HA SER A 93 -17.976 -7.790 -9.263 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.270 -10.695 -8.794 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.641 -10.025 -9.655 1.00 0.62 H new ATOM 0 HG SER A 93 -17.026 -10.868 -11.096 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.676 -7.464 -6.649 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.987 -7.380 -5.228 1.00 0.60 C ATOM 1478 C LYS A 94 -18.739 -6.089 -4.933 1.00 0.71 C ATOM 1479 O LYS A 94 -18.310 -5.012 -5.343 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.704 -7.431 -4.391 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.164 -8.837 -4.165 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.713 -8.815 -3.705 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.562 -8.170 -2.334 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.134 -7.991 -1.964 1.00 0.93 N ATOM 0 H LYS A 94 -17.453 -6.567 -7.080 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.614 -8.232 -4.963 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.937 -6.834 -4.884 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.896 -6.967 -3.423 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.775 -9.346 -3.419 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.245 -9.411 -5.088 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.327 -9.834 -3.671 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.110 -8.270 -4.431 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.063 -7.202 -2.330 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.057 -8.788 -1.585 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.063 -7.776 -0.949 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.610 -8.865 -2.170 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.729 -7.207 -2.513 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.883 -6.178 -4.240 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.678 -5.000 -3.886 1.00 0.92 C ATOM 1500 C PRO A 95 -20.029 -4.198 -2.759 1.00 0.95 C ATOM 1501 O PRO A 95 -19.130 -4.692 -2.074 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.009 -5.599 -3.427 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.664 -6.959 -2.931 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.498 -7.430 -3.758 1.00 0.84 C ATOM 0 HA PRO A 95 -20.780 -4.301 -4.716 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.464 -4.995 -2.642 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.725 -5.647 -4.248 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.404 -6.932 -1.873 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.512 -7.636 -3.034 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.798 -8.018 -3.165 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.823 -8.061 -4.585 1.00 0.84 H new ATOM 1512 N MET A 96 -20.461 -2.960 -2.579 1.00 1.06 N ATOM 1513 CA MET A 96 -19.903 -2.121 -1.531 1.00 1.14 C ATOM 1514 C MET A 96 -20.963 -1.729 -0.511 1.00 1.16 C ATOM 1515 O MET A 96 -20.855 -2.085 0.661 1.00 1.25 O ATOM 1516 CB MET A 96 -19.255 -0.870 -2.126 1.00 1.31 C ATOM 1517 CG MET A 96 -18.594 0.020 -1.084 1.00 1.38 C ATOM 1518 SD MET A 96 -17.606 1.340 -1.813 1.00 1.63 S ATOM 1519 CE MET A 96 -18.859 2.233 -2.730 1.00 1.94 C ATOM 0 H MET A 96 -21.189 -2.517 -3.139 1.00 1.06 H new ATOM 0 HA MET A 96 -19.137 -2.702 -1.018 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.510 -1.171 -2.862 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.013 -0.294 -2.657 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.363 0.458 -0.447 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.959 -0.591 -0.443 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.597 3.290 -2.769 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.920 1.837 -3.744 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.824 2.116 -2.236 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.980 -0.998 -0.969 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.075 -0.530 -0.113 1.00 1.22 C ATOM 1531 C GLU A 97 -22.575 0.476 0.926 1.00 1.29 C ATOM 1532 O GLU A 97 -21.917 0.108 1.901 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.771 -1.707 0.584 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.930 -1.290 1.479 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.493 -2.446 2.271 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -26.392 -3.143 1.758 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -25.037 -2.666 3.414 1.00 2.38 O ATOM 0 H GLU A 97 -22.069 -0.713 -1.944 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.799 -0.029 -0.755 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.139 -2.400 -0.173 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -23.038 -2.248 1.182 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.594 -0.513 2.165 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.720 -0.854 0.867 1.00 1.50 H new ATOM 1544 N THR A 98 -22.894 1.749 0.721 1.00 1.31 N ATOM 1545 CA THR A 98 -22.468 2.791 1.639 1.00 1.40 C ATOM 1546 C THR A 98 -23.220 4.096 1.366 1.00 1.39 C ATOM 1547 O THR A 98 -24.000 4.179 0.414 1.00 1.35 O ATOM 1548 CB THR A 98 -20.939 3.019 1.546 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.465 3.650 2.740 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.571 3.866 0.333 1.00 1.37 C ATOM 0 H THR A 98 -23.445 2.081 -0.071 1.00 1.31 H new ATOM 0 HA THR A 98 -22.704 2.463 2.651 1.00 1.40 H new ATOM 0 HB THR A 98 -20.463 2.045 1.433 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.497 3.789 2.674 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.490 4.005 0.301 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.899 3.362 -0.576 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.060 4.838 0.406 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.984 5.100 2.215 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.623 6.410 2.089 1.00 1.48 C ATOM 1560 C LEU A 99 -25.141 6.301 2.213 1.00 1.52 C ATOM 1561 O LEU A 99 -25.886 6.919 1.455 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.241 7.072 0.762 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.836 7.679 0.721 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.412 7.941 -0.713 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.789 8.963 1.535 1.00 1.61 C ATOM 0 H LEU A 99 -22.346 5.027 3.007 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.263 7.035 2.906 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.323 6.331 -0.033 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.966 7.856 0.543 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.138 6.966 1.161 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.411 8.372 -0.723 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.409 7.003 -1.269 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.111 8.636 -1.178 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.784 9.382 1.496 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.498 9.681 1.123 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.052 8.747 2.571 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.587 5.520 3.187 1.00 1.60 N ATOM 1578 CA ILE A 100 -27.010 5.320 3.424 1.00 1.68 C ATOM 1579 C ILE A 100 -27.416 5.879 4.785 1.00 1.72 C ATOM 1580 O ILE A 100 -28.429 5.476 5.360 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.386 3.823 3.355 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.425 2.990 4.213 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.384 3.346 1.908 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.822 1.534 4.340 1.00 1.79 C ATOM 0 H ILE A 100 -24.980 5.012 3.830 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.546 5.854 2.639 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.392 3.693 3.754 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.425 3.048 3.782 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -26.369 3.429 5.209 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.650 2.290 1.873 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.109 3.923 1.334 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.391 3.484 1.481 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -26.094 1.011 4.961 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.808 1.464 4.800 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.850 1.077 3.351 1.00 1.79 H new ATOM 1596 N THR A 101 -26.620 6.807 5.295 1.00 1.73 N ATOM 1597 CA THR A 101 -26.885 7.418 6.587 1.00 1.77 C ATOM 1598 C THR A 101 -26.523 8.901 6.556 1.00 1.85 C ATOM 1599 O THR A 101 -25.570 9.297 5.883 1.00 1.80 O ATOM 1600 CB THR A 101 -26.090 6.708 7.705 1.00 1.70 C ATOM 1601 OG1 THR A 101 -26.105 5.286 7.492 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.678 7.017 9.073 1.00 1.98 C ATOM 0 H THR A 101 -25.781 7.154 4.830 1.00 1.73 H new ATOM 0 HA THR A 101 -27.949 7.314 6.798 1.00 1.77 H new ATOM 0 HB THR A 101 -25.064 7.075 7.674 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.598 4.843 8.204 1.00 1.85 H new ATOM 0 HG21 THR A 101 -26.100 6.505 9.842 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.644 8.092 9.249 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.713 6.676 9.110 1.00 1.98 H new ATOM 1610 N THR A 102 -27.294 9.716 7.263 1.00 2.05 N ATOM 1611 CA THR A 102 -27.050 11.150 7.316 1.00 2.18 C ATOM 1612 C THR A 102 -25.794 11.466 8.128 1.00 2.11 C ATOM 1613 O THR A 102 -25.778 11.322 9.351 1.00 2.23 O ATOM 1614 CB THR A 102 -28.253 11.884 7.929 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.357 10.976 8.051 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.657 13.072 7.071 1.00 2.72 C ATOM 0 H THR A 102 -28.097 9.406 7.810 1.00 2.05 H new ATOM 0 HA THR A 102 -26.903 11.495 6.292 1.00 2.18 H new ATOM 0 HB THR A 102 -27.970 12.253 8.915 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.123 11.444 8.444 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.510 13.575 7.525 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.822 13.768 6.997 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.929 12.725 6.074 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.742 11.881 7.440 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.480 12.213 8.090 1.00 2.08 C ATOM 1626 C VAL A 103 -23.194 13.707 7.991 1.00 2.14 C ATOM 1627 O VAL A 103 -22.083 14.164 8.271 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.299 11.427 7.482 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.373 9.957 7.873 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.270 11.583 5.967 1.00 1.94 C ATOM 0 H VAL A 103 -24.736 11.997 6.427 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.581 11.931 9.138 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.373 11.839 7.883 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.531 9.421 7.434 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.334 9.867 8.959 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.306 9.530 7.506 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.430 11.021 5.559 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.200 11.203 5.544 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.159 12.637 5.712 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.206 14.464 7.601 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.075 15.905 7.456 1.00 2.30 C ATOM 1642 C ASP A 104 -25.035 16.617 8.397 1.00 2.65 C ATOM 1643 O ASP A 104 -25.952 15.950 8.925 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.345 16.328 6.009 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.822 16.367 5.678 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.458 15.293 5.644 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -26.353 17.474 5.442 1.00 2.54 O ATOM 0 H ASP A 104 -25.133 14.102 7.378 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.054 16.186 7.714 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.912 17.313 5.836 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.843 15.636 5.333 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 10.916 10.026 -4.098 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.876 5.591 -2.305 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.101 5.486 -2.668 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.130 9.999 -4.269 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.322 8.811 -3.609 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.703 8.436 -3.404 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.684 7.197 -2.857 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.301 6.812 -2.761 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.863 6.401 -2.408 1.00 0.63 C HETATM 1662 CAA HEM A 400 13.915 9.220 -3.803 1.00 0.61 C HETATM 1663 CBA HEM A 400 14.884 8.412 -4.684 1.00 0.95 C HETATM 1664 CGA HEM A 400 14.794 8.889 -6.133 1.00 0.91 C HETATM 1665 O1A HEM A 400 15.235 10.023 -6.413 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.308 8.115 -6.985 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.570 5.178 -2.249 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.157 3.875 -1.795 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.810 3.836 -1.909 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.405 5.122 -2.428 1.00 0.42 C HETATM 1671 CMB HEM A 400 10.044 2.781 -1.307 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.985 2.772 -1.598 1.00 0.55 C HETATM 1673 CBB HEM A 400 6.770 2.223 -0.187 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.691 6.711 -3.144 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.315 7.072 -3.378 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.322 8.353 -3.820 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.705 8.762 -3.855 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.123 6.197 -3.187 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.230 9.121 -4.184 1.00 0.45 C HETATM 1680 CBC HEM A 400 1.888 9.143 -3.444 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.439 10.404 -4.345 1.00 0.39 C HETATM 1682 C2D HEM A 400 7.859 11.705 -4.807 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.210 11.704 -4.775 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.610 10.409 -4.287 1.00 0.42 C HETATM 1685 CMD HEM A 400 6.978 12.845 -5.207 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.110 12.827 -5.166 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.916 12.524 -6.429 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.244 13.832 -7.138 1.00 1.09 C HETATM 1689 O1D HEM A 400 11.488 14.839 -6.444 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.243 13.849 -8.385 1.00 1.79 O HETATM 1691 NA HEM A 400 10.463 7.805 -3.216 1.00 0.42 N HETATM 1692 NB HEM A 400 8.492 5.945 -2.633 1.00 0.40 N HETATM 1693 NC HEM A 400 6.544 7.750 -3.443 1.00 0.35 N HETATM 1694 ND HEM A 400 8.519 9.612 -4.019 1.00 0.37 N HETATM 1695 FE HEM A 400 8.503 7.782 -3.317 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.579 5.776 -1.561 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.665 7.076 -2.108 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.208 5.769 -3.226 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 9.508 2.177 -0.576 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 10.930 3.212 -0.841 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 10.344 2.154 -2.147 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.402 5.158 -3.362 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.343 6.486 -3.891 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.751 6.306 -2.168 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.043 12.458 -5.611 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 7.481 13.444 -5.966 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 6.767 13.465 -4.336 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 6.100 1.378 -0.027 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 7.287 2.677 0.659 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.079 9.780 -3.801 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.743 8.522 -2.560 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.642 7.351 -4.626 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 15.904 8.527 -4.317 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.438 9.553 -2.907 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.602 10.115 -4.341 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.347 11.870 -7.090 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.834 11.996 -6.171 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 10.795 13.041 -4.345 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 9.514 13.726 -5.327 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.685 10.740 -4.355 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.631 4.899 -1.962 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.336 4.751 -2.467 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.373 10.712 -4.559 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.450 2.290 -2.416 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.332 9.758 -5.063 1.00 0.45 H new