USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 94 HIS HD1 : A 94 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc=-0.00839 (180deg=-0.0837) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.077) USER MOD Single : A 65 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.11) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0043 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0075) USER MOD Single : A 74 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0025) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -39:sc= 1.39 USER MOD Single : A 81 SER OG : rot 38:sc= 0.213 USER MOD Single : A 82 TYR OH : rot 7:sc= 0.667 USER MOD Single : A 86 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.29) USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.106) USER MOD Single : A 96 GLN : amide:sc= -1.1! C(o=-1.1!,f=-2.7!) USER MOD Single : A 97 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= -0.0276 (180deg=-0.18) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= -0.0262 (180deg=-0.242) USER MOD Single : A 104 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.3) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 -14.797 -1.433 8.154 1.00 8.49 N ATOM 2 CA ARG A 36 -16.207 -1.786 8.015 1.00 8.09 C ATOM 3 C ARG A 36 -16.350 -2.772 6.865 1.00 7.16 C ATOM 4 O ARG A 36 -15.724 -2.603 5.838 1.00 7.20 O ATOM 5 CB ARG A 36 -17.056 -0.535 7.725 1.00 8.73 C ATOM 6 CG ARG A 36 -16.964 0.583 8.764 1.00 9.34 C ATOM 7 CD ARG A 36 -17.423 0.123 10.139 1.00 9.76 C ATOM 8 NE ARG A 36 -17.342 1.197 11.131 1.00 10.25 N ATOM 9 CZ ARG A 36 -17.243 1.030 12.458 1.00 10.86 C ATOM 10 NH1 ARG A 36 -17.186 -0.185 12.980 1.00 11.04 N ATOM 11 NH2 ARG A 36 -17.189 2.088 13.252 1.00 11.43 N ATOM 0 HA ARG A 36 -16.558 -2.232 8.946 1.00 8.09 H new ATOM 0 HB2 ARG A 36 -16.758 -0.132 6.757 1.00 8.73 H new ATOM 0 HB3 ARG A 36 -18.099 -0.839 7.636 1.00 8.73 H new ATOM 0 HG2 ARG A 36 -15.935 0.937 8.825 1.00 9.34 H new ATOM 0 HG3 ARG A 36 -17.573 1.428 8.442 1.00 9.34 H new ATOM 0 HD2 ARG A 36 -18.450 -0.237 10.077 1.00 9.76 H new ATOM 0 HD3 ARG A 36 -16.810 -0.718 10.464 1.00 9.76 H new ATOM 0 HE ARG A 36 -17.363 2.155 10.782 1.00 10.25 H new ATOM 0 HH11 ARG A 36 -17.217 -1.003 12.372 1.00 11.04 H new ATOM 0 HH12 ARG A 36 -17.111 -0.303 13.990 1.00 11.04 H new ATOM 0 HH21 ARG A 36 -17.223 3.027 12.854 1.00 11.43 H new ATOM 0 HH22 ARG A 36 -17.114 1.965 14.262 1.00 11.43 H new ATOM 27 N ALA A 37 -17.144 -3.802 7.042 1.00 6.54 N ATOM 28 CA ALA A 37 -17.354 -4.787 5.986 1.00 5.87 C ATOM 29 C ALA A 37 -18.802 -4.784 5.526 1.00 4.78 C ATOM 30 O ALA A 37 -19.187 -5.533 4.630 1.00 4.82 O ATOM 31 CB ALA A 37 -16.943 -6.173 6.449 1.00 6.41 C ATOM 0 H ALA A 37 -17.658 -3.987 7.903 1.00 6.54 H new ATOM 0 HA ALA A 37 -16.726 -4.512 5.139 1.00 5.87 H new ATOM 0 HB1 ALA A 37 -17.109 -6.889 5.644 1.00 6.41 H new ATOM 0 HB2 ALA A 37 -15.887 -6.168 6.719 1.00 6.41 H new ATOM 0 HB3 ALA A 37 -17.538 -6.458 7.317 1.00 6.41 H new ATOM 37 N GLN A 38 -19.611 -3.973 6.173 1.00 4.17 N ATOM 38 CA GLN A 38 -21.005 -3.809 5.782 1.00 3.41 C ATOM 39 C GLN A 38 -21.190 -2.428 5.182 1.00 2.53 C ATOM 40 O GLN A 38 -22.261 -2.071 4.693 1.00 2.77 O ATOM 41 CB GLN A 38 -21.929 -3.994 6.988 1.00 4.03 C ATOM 42 CG GLN A 38 -21.861 -5.382 7.606 1.00 4.53 C ATOM 43 CD GLN A 38 -22.765 -5.545 8.811 1.00 4.94 C ATOM 44 OE1 GLN A 38 -23.032 -4.596 9.540 1.00 4.96 O ATOM 45 NE2 GLN A 38 -23.228 -6.746 9.040 1.00 5.66 N ATOM 0 H GLN A 38 -19.331 -3.412 6.977 1.00 4.17 H new ATOM 0 HA GLN A 38 -21.264 -4.567 5.042 1.00 3.41 H new ATOM 0 HB2 GLN A 38 -21.672 -3.255 7.747 1.00 4.03 H new ATOM 0 HB3 GLN A 38 -22.956 -3.793 6.682 1.00 4.03 H new ATOM 0 HG2 GLN A 38 -22.134 -6.121 6.853 1.00 4.53 H new ATOM 0 HG3 GLN A 38 -20.833 -5.591 7.901 1.00 4.53 H new ATOM 0 HE21 GLN A 38 -22.986 -7.514 8.413 1.00 5.66 H new ATOM 0 HE22 GLN A 38 -23.831 -6.915 9.845 1.00 5.66 H new ATOM 54 N VAL A 39 -20.118 -1.673 5.198 1.00 2.13 N ATOM 55 CA VAL A 39 -20.094 -0.314 4.712 1.00 1.81 C ATOM 56 C VAL A 39 -18.964 -0.246 3.690 1.00 1.43 C ATOM 57 O VAL A 39 -18.041 -1.062 3.741 1.00 2.28 O ATOM 58 CB VAL A 39 -19.798 0.700 5.880 1.00 2.82 C ATOM 59 CG1 VAL A 39 -19.955 2.147 5.426 1.00 3.61 C ATOM 60 CG2 VAL A 39 -20.680 0.439 7.089 1.00 3.61 C ATOM 0 H VAL A 39 -19.218 -1.993 5.557 1.00 2.13 H new ATOM 0 HA VAL A 39 -21.058 -0.047 4.280 1.00 1.81 H new ATOM 0 HB VAL A 39 -18.759 0.541 6.170 1.00 2.82 H new ATOM 0 HG11 VAL A 39 -19.742 2.815 6.260 1.00 3.61 H new ATOM 0 HG12 VAL A 39 -19.259 2.350 4.612 1.00 3.61 H new ATOM 0 HG13 VAL A 39 -20.976 2.311 5.081 1.00 3.61 H new ATOM 0 HG21 VAL A 39 -20.445 1.159 7.873 1.00 3.61 H new ATOM 0 HG22 VAL A 39 -21.727 0.541 6.804 1.00 3.61 H new ATOM 0 HG23 VAL A 39 -20.501 -0.571 7.459 1.00 3.61 H new ATOM 70 N LYS A 40 -19.051 0.694 2.786 1.00 0.73 N ATOM 71 CA LYS A 40 -18.080 0.884 1.750 1.00 0.83 C ATOM 72 C LYS A 40 -16.943 1.678 2.330 1.00 0.55 C ATOM 73 O LYS A 40 -17.161 2.627 3.093 1.00 0.71 O ATOM 74 CB LYS A 40 -18.698 1.644 0.577 1.00 1.56 C ATOM 75 CG LYS A 40 -19.935 0.986 -0.018 1.00 1.93 C ATOM 76 CD LYS A 40 -20.566 1.865 -1.087 1.00 2.54 C ATOM 77 CE LYS A 40 -21.850 1.253 -1.615 1.00 3.45 C ATOM 78 NZ LYS A 40 -22.528 2.120 -2.603 1.00 3.90 N ATOM 0 H LYS A 40 -19.820 1.364 2.752 1.00 0.73 H new ATOM 0 HA LYS A 40 -17.728 -0.080 1.381 1.00 0.83 H new ATOM 0 HB2 LYS A 40 -18.960 2.649 0.909 1.00 1.56 H new ATOM 0 HB3 LYS A 40 -17.947 1.752 -0.206 1.00 1.56 H new ATOM 0 HG2 LYS A 40 -19.665 0.022 -0.449 1.00 1.93 H new ATOM 0 HG3 LYS A 40 -20.661 0.791 0.771 1.00 1.93 H new ATOM 0 HD2 LYS A 40 -20.774 2.852 -0.674 1.00 2.54 H new ATOM 0 HD3 LYS A 40 -19.863 2.005 -1.908 1.00 2.54 H new ATOM 0 HE2 LYS A 40 -21.627 0.290 -2.074 1.00 3.45 H new ATOM 0 HE3 LYS A 40 -22.526 1.060 -0.782 1.00 3.45 H new ATOM 0 HZ1 LYS A 40 -23.399 1.656 -2.932 1.00 3.90 H new ATOM 0 HZ2 LYS A 40 -22.767 3.030 -2.160 1.00 3.90 H new ATOM 0 HZ3 LYS A 40 -21.896 2.284 -3.412 1.00 3.90 H new ATOM 92 N GLU A 41 -15.770 1.299 1.989 1.00 0.35 N ATOM 93 CA GLU A 41 -14.557 1.863 2.528 1.00 0.17 C ATOM 94 C GLU A 41 -13.827 2.543 1.413 1.00 0.12 C ATOM 95 O GLU A 41 -14.060 2.229 0.273 1.00 0.15 O ATOM 96 CB GLU A 41 -13.740 0.714 3.042 1.00 0.50 C ATOM 97 CG GLU A 41 -14.487 -0.093 4.067 1.00 0.23 C ATOM 98 CD GLU A 41 -14.238 0.340 5.483 1.00 0.75 C ATOM 99 OE1 GLU A 41 -14.915 1.243 5.966 1.00 1.13 O ATOM 100 OE2 GLU A 41 -13.374 -0.258 6.164 1.00 1.27 O ATOM 0 H GLU A 41 -15.604 0.562 1.303 1.00 0.35 H new ATOM 0 HA GLU A 41 -14.753 2.582 3.323 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -13.456 0.070 2.210 1.00 0.50 H new ATOM 0 HB3 GLU A 41 -12.817 1.093 3.481 1.00 0.50 H new ATOM 0 HG2 GLU A 41 -15.555 -0.026 3.860 1.00 0.23 H new ATOM 0 HG3 GLU A 41 -14.207 -1.141 3.964 1.00 0.23 H new ATOM 107 N THR A 42 -12.980 3.469 1.695 1.00 0.11 N ATOM 108 CA THR A 42 -12.270 4.089 0.607 1.00 0.10 C ATOM 109 C THR A 42 -10.782 3.752 0.707 1.00 0.09 C ATOM 110 O THR A 42 -10.212 3.702 1.805 1.00 0.11 O ATOM 111 CB THR A 42 -12.468 5.604 0.552 1.00 0.13 C ATOM 112 OG1 THR A 42 -13.576 5.968 1.388 1.00 0.15 O ATOM 113 CG2 THR A 42 -12.805 6.002 -0.880 1.00 0.14 C ATOM 0 H THR A 42 -12.759 3.812 2.630 1.00 0.11 H new ATOM 0 HA THR A 42 -12.683 3.688 -0.319 1.00 0.10 H new ATOM 0 HB THR A 42 -11.560 6.104 0.889 1.00 0.13 H new ATOM 0 HG1 THR A 42 -13.705 6.939 1.356 1.00 0.15 H new ATOM 0 HG21 THR A 42 -12.949 7.081 -0.933 1.00 0.14 H new ATOM 0 HG22 THR A 42 -11.988 5.712 -1.540 1.00 0.14 H new ATOM 0 HG23 THR A 42 -13.720 5.498 -1.192 1.00 0.14 H new ATOM 121 N CYS A 43 -10.176 3.517 -0.431 1.00 0.07 N ATOM 122 CA CYS A 43 -8.814 3.084 -0.520 1.00 0.06 C ATOM 123 C CYS A 43 -7.860 4.245 -0.500 1.00 0.09 C ATOM 124 O CYS A 43 -8.176 5.325 -0.968 1.00 0.11 O ATOM 125 CB CYS A 43 -8.672 2.225 -1.761 1.00 0.06 C ATOM 126 SG CYS A 43 -7.080 2.180 -2.597 1.00 0.08 S ATOM 0 H CYS A 43 -10.631 3.626 -1.337 1.00 0.07 H new ATOM 0 HA CYS A 43 -8.552 2.487 0.353 1.00 0.06 H new ATOM 0 HB2 CYS A 43 -8.932 1.202 -1.488 1.00 0.06 H new ATOM 0 HB3 CYS A 43 -9.416 2.561 -2.483 1.00 0.06 H new ATOM 131 N ALA A 44 -6.711 4.032 0.080 1.00 0.09 N ATOM 132 CA ALA A 44 -5.707 5.061 0.163 1.00 0.12 C ATOM 133 C ALA A 44 -4.613 4.895 -0.880 1.00 0.12 C ATOM 134 O ALA A 44 -3.873 5.828 -1.155 1.00 0.14 O ATOM 135 CB ALA A 44 -5.104 5.069 1.528 1.00 0.13 C ATOM 0 H ALA A 44 -6.443 3.145 0.507 1.00 0.09 H new ATOM 0 HA ALA A 44 -6.202 6.011 -0.036 1.00 0.12 H new ATOM 0 HB1 ALA A 44 -4.345 5.849 1.586 1.00 0.13 H new ATOM 0 HB2 ALA A 44 -5.881 5.263 2.268 1.00 0.13 H new ATOM 0 HB3 ALA A 44 -4.645 4.101 1.729 1.00 0.13 H new ATOM 141 N ALA A 45 -4.530 3.720 -1.487 1.00 0.11 N ATOM 142 CA ALA A 45 -3.452 3.447 -2.411 1.00 0.12 C ATOM 143 C ALA A 45 -3.828 3.827 -3.831 1.00 0.13 C ATOM 144 O ALA A 45 -2.978 4.195 -4.625 1.00 0.14 O ATOM 145 CB ALA A 45 -3.036 1.993 -2.313 1.00 0.12 C ATOM 0 H ALA A 45 -5.189 2.953 -1.356 1.00 0.11 H new ATOM 0 HA ALA A 45 -2.598 4.065 -2.135 1.00 0.12 H new ATOM 0 HB1 ALA A 45 -2.224 1.799 -3.013 1.00 0.12 H new ATOM 0 HB2 ALA A 45 -2.700 1.778 -1.299 1.00 0.12 H new ATOM 0 HB3 ALA A 45 -3.885 1.354 -2.556 1.00 0.12 H new ATOM 151 N CYS A 46 -5.105 3.760 -4.137 1.00 0.12 N ATOM 152 CA CYS A 46 -5.600 4.142 -5.452 1.00 0.13 C ATOM 153 C CYS A 46 -6.856 5.030 -5.354 1.00 0.13 C ATOM 154 O CYS A 46 -7.402 5.488 -6.363 1.00 0.14 O ATOM 155 CB CYS A 46 -5.795 2.899 -6.356 1.00 0.12 C ATOM 156 SG CYS A 46 -7.347 1.976 -6.195 1.00 0.11 S ATOM 0 H CYS A 46 -5.828 3.443 -3.491 1.00 0.12 H new ATOM 0 HA CYS A 46 -4.842 4.758 -5.935 1.00 0.13 H new ATOM 0 HB2 CYS A 46 -5.702 3.221 -7.393 1.00 0.12 H new ATOM 0 HB3 CYS A 46 -4.973 2.210 -6.161 1.00 0.12 H new ATOM 161 N GLN A 47 -7.260 5.303 -4.096 1.00 0.12 N ATOM 162 CA GLN A 47 -8.417 6.134 -3.745 1.00 0.13 C ATOM 163 C GLN A 47 -9.721 5.774 -4.450 1.00 0.12 C ATOM 164 O GLN A 47 -10.446 6.632 -4.929 1.00 0.14 O ATOM 165 CB GLN A 47 -8.101 7.593 -3.847 1.00 0.15 C ATOM 166 CG GLN A 47 -6.998 7.999 -2.904 1.00 0.15 C ATOM 167 CD GLN A 47 -6.531 9.413 -3.107 1.00 0.19 C ATOM 168 OE1 GLN A 47 -7.061 10.351 -2.500 1.00 1.04 O ATOM 169 NE2 GLN A 47 -5.543 9.583 -3.935 1.00 1.17 N ATOM 0 H GLN A 47 -6.773 4.938 -3.278 1.00 0.12 H new ATOM 0 HA GLN A 47 -8.614 5.899 -2.699 1.00 0.13 H new ATOM 0 HB2 GLN A 47 -7.809 7.830 -4.870 1.00 0.15 H new ATOM 0 HB3 GLN A 47 -8.997 8.174 -3.629 1.00 0.15 H new ATOM 0 HG2 GLN A 47 -7.346 7.883 -1.878 1.00 0.15 H new ATOM 0 HG3 GLN A 47 -6.153 7.323 -3.032 1.00 0.15 H new ATOM 0 HE21 GLN A 47 -5.136 8.780 -4.415 1.00 1.17 H new ATOM 0 HE22 GLN A 47 -5.175 10.519 -4.105 1.00 1.17 H new ATOM 178 N LYS A 48 -9.992 4.512 -4.494 1.00 0.11 N ATOM 179 CA LYS A 48 -11.201 3.959 -5.048 1.00 0.11 C ATOM 180 C LYS A 48 -11.903 3.249 -3.931 1.00 0.09 C ATOM 181 O LYS A 48 -11.260 2.866 -2.962 1.00 0.07 O ATOM 182 CB LYS A 48 -10.864 2.978 -6.164 1.00 0.12 C ATOM 183 CG LYS A 48 -10.151 3.600 -7.357 1.00 0.14 C ATOM 184 CD LYS A 48 -10.981 4.686 -8.027 1.00 0.17 C ATOM 185 CE LYS A 48 -12.319 4.155 -8.558 1.00 0.21 C ATOM 186 NZ LYS A 48 -12.148 3.074 -9.547 1.00 1.20 N ATOM 0 H LYS A 48 -9.356 3.801 -4.132 1.00 0.11 H new ATOM 0 HA LYS A 48 -11.832 4.741 -5.472 1.00 0.11 H new ATOM 0 HB2 LYS A 48 -10.238 2.184 -5.756 1.00 0.12 H new ATOM 0 HB3 LYS A 48 -11.786 2.511 -6.511 1.00 0.12 H new ATOM 0 HG2 LYS A 48 -9.201 4.023 -7.029 1.00 0.14 H new ATOM 0 HG3 LYS A 48 -9.920 2.822 -8.085 1.00 0.14 H new ATOM 0 HD2 LYS A 48 -11.169 5.488 -7.313 1.00 0.17 H new ATOM 0 HD3 LYS A 48 -10.412 5.118 -8.850 1.00 0.17 H new ATOM 0 HE2 LYS A 48 -12.917 3.788 -7.724 1.00 0.21 H new ATOM 0 HE3 LYS A 48 -12.876 4.974 -9.013 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 -13.069 2.844 -9.973 1.00 1.20 H new ATOM 0 HZ2 LYS A 48 -11.490 3.384 -10.290 1.00 1.20 H new ATOM 0 HZ3 LYS A 48 -11.764 2.230 -9.076 1.00 1.20 H new ATOM 200 N THR A 49 -13.188 3.152 -4.005 1.00 0.11 N ATOM 201 CA THR A 49 -13.948 2.509 -2.976 1.00 0.10 C ATOM 202 C THR A 49 -13.631 0.997 -2.915 1.00 0.09 C ATOM 203 O THR A 49 -13.614 0.308 -3.939 1.00 0.10 O ATOM 204 CB THR A 49 -15.426 2.725 -3.216 1.00 0.13 C ATOM 205 OG1 THR A 49 -15.639 4.083 -3.667 1.00 0.14 O ATOM 206 CG2 THR A 49 -16.183 2.528 -1.929 1.00 0.14 C ATOM 0 H THR A 49 -13.745 3.515 -4.779 1.00 0.11 H new ATOM 0 HA THR A 49 -13.672 2.950 -2.018 1.00 0.10 H new ATOM 0 HB THR A 49 -15.775 2.015 -3.965 1.00 0.13 H new ATOM 0 HG1 THR A 49 -16.595 4.229 -3.826 1.00 0.14 H new ATOM 0 HG21 THR A 49 -17.247 2.684 -2.105 1.00 0.14 H new ATOM 0 HG22 THR A 49 -16.021 1.514 -1.563 1.00 0.14 H new ATOM 0 HG23 THR A 49 -15.830 3.243 -1.186 1.00 0.14 H new ATOM 214 N VAL A 50 -13.350 0.510 -1.727 1.00 0.07 N ATOM 215 CA VAL A 50 -13.015 -0.870 -1.521 1.00 0.07 C ATOM 216 C VAL A 50 -14.231 -1.570 -1.027 1.00 0.08 C ATOM 217 O VAL A 50 -14.956 -1.045 -0.168 1.00 0.08 O ATOM 218 CB VAL A 50 -11.891 -1.093 -0.480 1.00 0.06 C ATOM 219 CG1 VAL A 50 -10.962 -2.161 -0.982 1.00 0.06 C ATOM 220 CG2 VAL A 50 -11.144 0.177 -0.205 1.00 0.06 C ATOM 0 H VAL A 50 -13.349 1.070 -0.874 1.00 0.07 H new ATOM 0 HA VAL A 50 -12.655 -1.255 -2.475 1.00 0.07 H new ATOM 0 HB VAL A 50 -12.338 -1.413 0.461 1.00 0.06 H new ATOM 0 HG11 VAL A 50 -10.167 -2.324 -0.254 1.00 0.06 H new ATOM 0 HG12 VAL A 50 -11.517 -3.088 -1.126 1.00 0.06 H new ATOM 0 HG13 VAL A 50 -10.526 -1.848 -1.931 1.00 0.06 H new ATOM 0 HG21 VAL A 50 -10.362 -0.013 0.530 1.00 0.06 H new ATOM 0 HG22 VAL A 50 -10.694 0.542 -1.128 1.00 0.06 H new ATOM 0 HG23 VAL A 50 -11.833 0.927 0.184 1.00 0.06 H new ATOM 230 N TYR A 51 -14.471 -2.710 -1.556 1.00 0.09 N ATOM 231 CA TYR A 51 -15.611 -3.483 -1.193 1.00 0.11 C ATOM 232 C TYR A 51 -15.092 -4.690 -0.421 1.00 0.10 C ATOM 233 O TYR A 51 -13.927 -5.030 -0.598 1.00 0.10 O ATOM 234 CB TYR A 51 -16.349 -3.874 -2.477 1.00 0.14 C ATOM 235 CG TYR A 51 -16.514 -2.701 -3.412 1.00 0.23 C ATOM 236 CD1 TYR A 51 -17.360 -1.671 -3.093 1.00 0.21 C ATOM 237 CD2 TYR A 51 -15.791 -2.619 -4.594 1.00 0.43 C ATOM 238 CE1 TYR A 51 -17.501 -0.572 -3.917 1.00 0.32 C ATOM 239 CE2 TYR A 51 -15.920 -1.533 -5.432 1.00 0.57 C ATOM 240 CZ TYR A 51 -16.776 -0.507 -5.090 1.00 0.50 C ATOM 241 OH TYR A 51 -16.900 0.597 -5.915 1.00 0.64 O ATOM 0 H TYR A 51 -13.878 -3.144 -2.263 1.00 0.09 H new ATOM 0 HA TYR A 51 -16.318 -2.942 -0.564 1.00 0.11 H new ATOM 0 HB2 TYR A 51 -15.800 -4.667 -2.984 1.00 0.14 H new ATOM 0 HB3 TYR A 51 -17.330 -4.277 -2.224 1.00 0.14 H new ATOM 0 HD1 TYR A 51 -17.929 -1.720 -2.176 1.00 0.21 H new ATOM 0 HD2 TYR A 51 -15.117 -3.419 -4.861 1.00 0.43 H new ATOM 0 HE1 TYR A 51 -18.172 0.229 -3.646 1.00 0.32 H new ATOM 0 HE2 TYR A 51 -15.354 -1.485 -6.351 1.00 0.57 H new ATOM 0 HH TYR A 51 -16.322 0.486 -6.699 1.00 0.64 H new ATOM 251 N PRO A 52 -15.911 -5.353 0.423 1.00 0.11 N ATOM 252 CA PRO A 52 -15.452 -6.428 1.347 1.00 0.12 C ATOM 253 C PRO A 52 -14.534 -7.499 0.717 1.00 0.15 C ATOM 254 O PRO A 52 -13.576 -7.967 1.358 1.00 0.16 O ATOM 255 CB PRO A 52 -16.748 -7.061 1.805 1.00 0.14 C ATOM 256 CG PRO A 52 -17.759 -5.973 1.727 1.00 0.14 C ATOM 257 CD PRO A 52 -17.363 -5.106 0.569 1.00 0.13 C ATOM 0 HA PRO A 52 -14.831 -6.004 2.136 1.00 0.12 H new ATOM 0 HB2 PRO A 52 -17.023 -7.901 1.168 1.00 0.14 H new ATOM 0 HB3 PRO A 52 -16.661 -7.446 2.821 1.00 0.14 H new ATOM 0 HG2 PRO A 52 -18.759 -6.382 1.581 1.00 0.14 H new ATOM 0 HG3 PRO A 52 -17.782 -5.398 2.652 1.00 0.14 H new ATOM 0 HD2 PRO A 52 -17.907 -5.375 -0.336 1.00 0.13 H new ATOM 0 HD3 PRO A 52 -17.572 -4.055 0.767 1.00 0.13 H new ATOM 265 N MET A 53 -14.792 -7.842 -0.531 1.00 0.17 N ATOM 266 CA MET A 53 -14.009 -8.843 -1.262 1.00 0.21 C ATOM 267 C MET A 53 -12.566 -8.379 -1.511 1.00 0.17 C ATOM 268 O MET A 53 -11.628 -9.187 -1.527 1.00 0.19 O ATOM 269 CB MET A 53 -14.679 -9.134 -2.595 1.00 0.27 C ATOM 270 CG MET A 53 -13.976 -10.171 -3.435 1.00 0.35 C ATOM 271 SD MET A 53 -14.684 -10.296 -5.087 1.00 0.46 S ATOM 272 CE MET A 53 -13.659 -11.584 -5.790 1.00 1.58 C ATOM 0 H MET A 53 -15.553 -7.437 -1.076 1.00 0.17 H new ATOM 0 HA MET A 53 -13.969 -9.743 -0.649 1.00 0.21 H new ATOM 0 HB2 MET A 53 -15.700 -9.467 -2.409 1.00 0.27 H new ATOM 0 HB3 MET A 53 -14.745 -8.207 -3.164 1.00 0.27 H new ATOM 0 HG2 MET A 53 -12.918 -9.919 -3.512 1.00 0.35 H new ATOM 0 HG3 MET A 53 -14.037 -11.140 -2.940 1.00 0.35 H new ATOM 0 HE1 MET A 53 -13.972 -11.779 -6.816 1.00 1.58 H new ATOM 0 HE2 MET A 53 -12.617 -11.264 -5.784 1.00 1.58 H new ATOM 0 HE3 MET A 53 -13.763 -12.494 -5.200 1.00 1.58 H new ATOM 282 N GLU A 54 -12.391 -7.095 -1.683 1.00 0.14 N ATOM 283 CA GLU A 54 -11.106 -6.533 -2.019 1.00 0.12 C ATOM 284 C GLU A 54 -10.508 -5.747 -0.875 1.00 0.09 C ATOM 285 O GLU A 54 -9.320 -5.429 -0.896 1.00 0.08 O ATOM 286 CB GLU A 54 -11.257 -5.649 -3.236 1.00 0.12 C ATOM 287 CG GLU A 54 -11.791 -6.404 -4.423 1.00 0.16 C ATOM 288 CD GLU A 54 -11.812 -5.596 -5.682 1.00 0.19 C ATOM 289 OE1 GLU A 54 -10.748 -5.107 -6.100 1.00 0.19 O ATOM 290 OE2 GLU A 54 -12.894 -5.492 -6.305 1.00 0.26 O ATOM 0 H GLU A 54 -13.138 -6.406 -1.594 1.00 0.14 H new ATOM 0 HA GLU A 54 -10.422 -7.355 -2.231 1.00 0.12 H new ATOM 0 HB2 GLU A 54 -11.927 -4.822 -3.002 1.00 0.12 H new ATOM 0 HB3 GLU A 54 -10.290 -5.214 -3.489 1.00 0.12 H new ATOM 0 HG2 GLU A 54 -11.182 -7.294 -4.582 1.00 0.16 H new ATOM 0 HG3 GLU A 54 -12.802 -6.745 -4.202 1.00 0.16 H new ATOM 297 N ARG A 55 -11.334 -5.426 0.108 1.00 0.09 N ATOM 298 CA ARG A 55 -10.920 -4.634 1.241 1.00 0.08 C ATOM 299 C ARG A 55 -9.907 -5.331 2.125 1.00 0.08 C ATOM 300 O ARG A 55 -10.211 -6.273 2.883 1.00 0.10 O ATOM 301 CB ARG A 55 -12.107 -4.100 2.042 1.00 0.10 C ATOM 302 CG ARG A 55 -11.735 -3.492 3.361 1.00 0.16 C ATOM 303 CD ARG A 55 -12.913 -3.424 4.291 1.00 0.29 C ATOM 304 NE ARG A 55 -12.577 -2.687 5.507 1.00 0.45 N ATOM 305 CZ ARG A 55 -12.186 -3.213 6.662 1.00 0.81 C ATOM 306 NH1 ARG A 55 -12.151 -4.529 6.831 1.00 1.29 N ATOM 307 NH2 ARG A 55 -11.863 -2.402 7.666 1.00 0.89 N ATOM 0 H ARG A 55 -12.313 -5.711 0.137 1.00 0.09 H new ATOM 0 HA ARG A 55 -10.404 -3.772 0.819 1.00 0.08 H new ATOM 0 HB2 ARG A 55 -12.628 -3.352 1.444 1.00 0.10 H new ATOM 0 HB3 ARG A 55 -12.810 -4.915 2.216 1.00 0.10 H new ATOM 0 HG2 ARG A 55 -10.941 -4.079 3.822 1.00 0.16 H new ATOM 0 HG3 ARG A 55 -11.339 -2.489 3.201 1.00 0.16 H new ATOM 0 HD2 ARG A 55 -13.751 -2.941 3.788 1.00 0.29 H new ATOM 0 HD3 ARG A 55 -13.235 -4.433 4.550 1.00 0.29 H new ATOM 0 HE ARG A 55 -12.650 -1.670 5.465 1.00 0.45 H new ATOM 0 HH11 ARG A 55 -12.426 -5.149 6.069 1.00 1.29 H new ATOM 0 HH12 ARG A 55 -11.849 -4.921 7.723 1.00 1.29 H new ATOM 0 HH21 ARG A 55 -11.917 -1.391 7.543 1.00 0.89 H new ATOM 0 HH22 ARG A 55 -11.561 -2.791 8.559 1.00 0.89 H new ATOM 321 N LEU A 56 -8.731 -4.876 1.985 1.00 0.08 N ATOM 322 CA LEU A 56 -7.608 -5.266 2.741 1.00 0.09 C ATOM 323 C LEU A 56 -7.197 -4.060 3.562 1.00 0.10 C ATOM 324 O LEU A 56 -7.612 -2.937 3.271 1.00 0.11 O ATOM 325 CB LEU A 56 -6.506 -5.739 1.751 1.00 0.11 C ATOM 326 CG LEU A 56 -5.112 -6.086 2.290 1.00 0.10 C ATOM 327 CD1 LEU A 56 -4.452 -7.037 1.340 1.00 0.11 C ATOM 328 CD2 LEU A 56 -4.246 -4.836 2.375 1.00 0.14 C ATOM 0 H LEU A 56 -8.506 -4.167 1.287 1.00 0.08 H new ATOM 0 HA LEU A 56 -7.805 -6.094 3.422 1.00 0.09 H new ATOM 0 HB2 LEU A 56 -6.886 -6.620 1.234 1.00 0.11 H new ATOM 0 HB3 LEU A 56 -6.382 -4.958 1.001 1.00 0.11 H new ATOM 0 HG LEU A 56 -5.219 -6.525 3.282 1.00 0.10 H new ATOM 0 HD11 LEU A 56 -3.459 -7.292 1.711 1.00 0.11 H new ATOM 0 HD12 LEU A 56 -5.052 -7.943 1.257 1.00 0.11 H new ATOM 0 HD13 LEU A 56 -4.363 -6.569 0.360 1.00 0.11 H new ATOM 0 HD21 LEU A 56 -3.261 -5.101 2.759 1.00 0.14 H new ATOM 0 HD22 LEU A 56 -4.142 -4.397 1.383 1.00 0.14 H new ATOM 0 HD23 LEU A 56 -4.714 -4.114 3.044 1.00 0.14 H new ATOM 340 N VAL A 57 -6.452 -4.271 4.585 1.00 0.12 N ATOM 341 CA VAL A 57 -5.992 -3.191 5.378 1.00 0.14 C ATOM 342 C VAL A 57 -4.512 -3.347 5.718 1.00 0.16 C ATOM 343 O VAL A 57 -4.120 -4.242 6.476 1.00 0.21 O ATOM 344 CB VAL A 57 -6.887 -2.982 6.642 1.00 0.17 C ATOM 345 CG1 VAL A 57 -7.107 -4.270 7.411 1.00 0.17 C ATOM 346 CG2 VAL A 57 -6.317 -1.911 7.543 1.00 0.22 C ATOM 0 H VAL A 57 -6.145 -5.193 4.895 1.00 0.12 H new ATOM 0 HA VAL A 57 -6.082 -2.278 4.789 1.00 0.14 H new ATOM 0 HB VAL A 57 -7.862 -2.649 6.285 1.00 0.17 H new ATOM 0 HG11 VAL A 57 -7.735 -4.072 8.280 1.00 0.17 H new ATOM 0 HG12 VAL A 57 -7.598 -4.999 6.767 1.00 0.17 H new ATOM 0 HG13 VAL A 57 -6.146 -4.666 7.740 1.00 0.17 H new ATOM 0 HG21 VAL A 57 -6.961 -1.788 8.414 1.00 0.22 H new ATOM 0 HG22 VAL A 57 -5.318 -2.203 7.868 1.00 0.22 H new ATOM 0 HG23 VAL A 57 -6.260 -0.969 6.998 1.00 0.22 H new ATOM 356 N ALA A 58 -3.686 -2.510 5.129 1.00 0.15 N ATOM 357 CA ALA A 58 -2.268 -2.550 5.421 1.00 0.18 C ATOM 358 C ALA A 58 -1.947 -1.323 6.229 1.00 0.22 C ATOM 359 O ALA A 58 -2.352 -0.240 5.855 1.00 0.23 O ATOM 360 CB ALA A 58 -1.437 -2.564 4.116 1.00 0.19 C ATOM 0 H ALA A 58 -3.966 -1.800 4.452 1.00 0.15 H new ATOM 0 HA ALA A 58 -2.020 -3.457 5.973 1.00 0.18 H new ATOM 0 HB1 ALA A 58 -0.375 -2.594 4.361 1.00 0.19 H new ATOM 0 HB2 ALA A 58 -1.699 -3.443 3.527 1.00 0.19 H new ATOM 0 HB3 ALA A 58 -1.651 -1.664 3.539 1.00 0.19 H new ATOM 366 N ASP A 59 -1.174 -1.488 7.294 1.00 0.29 N ATOM 367 CA ASP A 59 -0.808 -0.378 8.229 1.00 0.37 C ATOM 368 C ASP A 59 -1.998 0.497 8.625 1.00 0.53 C ATOM 369 O ASP A 59 -1.878 1.732 8.734 1.00 1.24 O ATOM 370 CB ASP A 59 0.318 0.514 7.727 1.00 0.33 C ATOM 371 CG ASP A 59 1.360 -0.142 6.828 1.00 0.29 C ATOM 372 OD1 ASP A 59 1.722 -1.338 7.049 1.00 0.40 O ATOM 373 OD2 ASP A 59 1.869 0.544 5.923 1.00 0.36 O ATOM 0 H ASP A 59 -0.771 -2.388 7.554 1.00 0.29 H new ATOM 0 HA ASP A 59 -0.449 -0.907 9.112 1.00 0.37 H new ATOM 0 HB2 ASP A 59 -0.125 1.348 7.183 1.00 0.33 H new ATOM 0 HB3 ASP A 59 0.831 0.935 8.592 1.00 0.33 H new ATOM 378 N LYS A 60 -3.136 -0.144 8.797 1.00 0.32 N ATOM 379 CA LYS A 60 -4.417 0.471 9.171 1.00 0.28 C ATOM 380 C LYS A 60 -5.063 1.271 8.003 1.00 0.21 C ATOM 381 O LYS A 60 -6.192 1.757 8.106 1.00 0.23 O ATOM 382 CB LYS A 60 -4.323 1.272 10.484 1.00 0.32 C ATOM 383 CG LYS A 60 -5.675 1.597 11.125 1.00 0.35 C ATOM 384 CD LYS A 60 -5.523 2.172 12.532 1.00 0.59 C ATOM 385 CE LYS A 60 -4.879 3.552 12.546 1.00 1.67 C ATOM 386 NZ LYS A 60 -5.721 4.582 11.895 1.00 2.54 N ATOM 0 H LYS A 60 -3.208 -1.154 8.677 1.00 0.32 H new ATOM 0 HA LYS A 60 -5.106 -0.348 9.375 1.00 0.28 H new ATOM 0 HB2 LYS A 60 -3.723 0.708 11.198 1.00 0.32 H new ATOM 0 HB3 LYS A 60 -3.793 2.205 10.289 1.00 0.32 H new ATOM 0 HG2 LYS A 60 -6.210 2.311 10.499 1.00 0.35 H new ATOM 0 HG3 LYS A 60 -6.282 0.693 11.168 1.00 0.35 H new ATOM 0 HD2 LYS A 60 -6.505 2.231 13.002 1.00 0.59 H new ATOM 0 HD3 LYS A 60 -4.922 1.491 13.134 1.00 0.59 H new ATOM 0 HE2 LYS A 60 -4.683 3.847 13.577 1.00 1.67 H new ATOM 0 HE3 LYS A 60 -3.915 3.504 12.040 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 -5.303 5.521 12.050 1.00 2.54 H new ATOM 0 HZ2 LYS A 60 -5.775 4.391 10.874 1.00 2.54 H new ATOM 0 HZ3 LYS A 60 -6.677 4.557 12.303 1.00 2.54 H new ATOM 400 N LEU A 61 -4.361 1.364 6.890 1.00 0.17 N ATOM 401 CA LEU A 61 -4.905 1.966 5.684 1.00 0.13 C ATOM 402 C LEU A 61 -5.785 0.944 4.982 1.00 0.10 C ATOM 403 O LEU A 61 -5.371 -0.203 4.792 1.00 0.10 O ATOM 404 CB LEU A 61 -3.787 2.372 4.750 1.00 0.16 C ATOM 405 CG LEU A 61 -2.745 3.332 5.305 1.00 0.19 C ATOM 406 CD1 LEU A 61 -1.624 3.512 4.307 1.00 0.19 C ATOM 407 CD2 LEU A 61 -3.377 4.672 5.623 1.00 0.23 C ATOM 0 H LEU A 61 -3.403 1.027 6.794 1.00 0.17 H new ATOM 0 HA LEU A 61 -5.483 2.850 5.954 1.00 0.13 H new ATOM 0 HB2 LEU A 61 -3.275 1.468 4.420 1.00 0.16 H new ATOM 0 HB3 LEU A 61 -4.232 2.828 3.865 1.00 0.16 H new ATOM 0 HG LEU A 61 -2.338 2.912 6.225 1.00 0.19 H new ATOM 0 HD11 LEU A 61 -0.883 4.201 4.713 1.00 0.19 H new ATOM 0 HD12 LEU A 61 -1.154 2.548 4.110 1.00 0.19 H new ATOM 0 HD13 LEU A 61 -2.025 3.917 3.378 1.00 0.19 H new ATOM 0 HD21 LEU A 61 -2.618 5.347 6.019 1.00 0.23 H new ATOM 0 HD22 LEU A 61 -3.803 5.098 4.715 1.00 0.23 H new ATOM 0 HD23 LEU A 61 -4.164 4.536 6.364 1.00 0.23 H new ATOM 419 N ILE A 62 -6.964 1.341 4.576 1.00 0.09 N ATOM 420 CA ILE A 62 -7.887 0.409 3.975 1.00 0.07 C ATOM 421 C ILE A 62 -7.771 0.519 2.462 1.00 0.06 C ATOM 422 O ILE A 62 -7.918 1.611 1.907 1.00 0.06 O ATOM 423 CB ILE A 62 -9.361 0.723 4.356 1.00 0.08 C ATOM 424 CG1 ILE A 62 -9.552 0.944 5.868 1.00 0.20 C ATOM 425 CG2 ILE A 62 -10.232 -0.406 3.911 1.00 0.11 C ATOM 426 CD1 ILE A 62 -9.287 -0.261 6.736 1.00 0.46 C ATOM 0 H ILE A 62 -7.308 2.299 4.649 1.00 0.09 H new ATOM 0 HA ILE A 62 -7.635 -0.588 4.336 1.00 0.07 H new ATOM 0 HB ILE A 62 -9.636 1.652 3.856 1.00 0.08 H new ATOM 0 HG12 ILE A 62 -8.893 1.752 6.186 1.00 0.20 H new ATOM 0 HG13 ILE A 62 -10.574 1.279 6.043 1.00 0.20 H new ATOM 0 HG21 ILE A 62 -11.268 -0.192 4.175 1.00 0.11 H new ATOM 0 HG22 ILE A 62 -10.150 -0.525 2.831 1.00 0.11 H new ATOM 0 HG23 ILE A 62 -9.915 -1.326 4.402 1.00 0.11 H new ATOM 0 HD11 ILE A 62 -9.450 0.001 7.782 1.00 0.46 H new ATOM 0 HD12 ILE A 62 -9.963 -1.068 6.455 1.00 0.46 H new ATOM 0 HD13 ILE A 62 -8.256 -0.588 6.600 1.00 0.46 H new ATOM 438 N PHE A 63 -7.454 -0.579 1.812 1.00 0.05 N ATOM 439 CA PHE A 63 -7.329 -0.620 0.375 1.00 0.05 C ATOM 440 C PHE A 63 -7.433 -1.969 -0.272 1.00 0.04 C ATOM 441 O PHE A 63 -7.458 -2.982 0.385 1.00 0.05 O ATOM 442 CB PHE A 63 -6.185 0.213 -0.173 1.00 0.07 C ATOM 443 CG PHE A 63 -4.863 0.036 0.486 1.00 0.09 C ATOM 444 CD1 PHE A 63 -4.266 -1.198 0.684 1.00 0.11 C ATOM 445 CD2 PHE A 63 -4.214 1.153 0.911 1.00 0.10 C ATOM 446 CE1 PHE A 63 -3.037 -1.267 1.302 1.00 0.14 C ATOM 447 CE2 PHE A 63 -3.012 1.081 1.509 1.00 0.12 C ATOM 448 CZ PHE A 63 -2.410 -0.114 1.712 1.00 0.13 C ATOM 0 H PHE A 63 -7.275 -1.473 2.270 1.00 0.05 H new ATOM 0 HA PHE A 63 -8.248 -0.125 0.062 1.00 0.05 H new ATOM 0 HB2 PHE A 63 -6.072 -0.017 -1.233 1.00 0.07 H new ATOM 0 HB3 PHE A 63 -6.464 1.264 -0.103 1.00 0.07 H new ATOM 0 HD1 PHE A 63 -4.761 -2.100 0.356 1.00 0.11 H new ATOM 0 HD2 PHE A 63 -4.674 2.119 0.765 1.00 0.10 H new ATOM 0 HE1 PHE A 63 -2.566 -2.225 1.464 1.00 0.14 H new ATOM 0 HE2 PHE A 63 -2.521 1.987 1.831 1.00 0.12 H new ATOM 0 HZ PHE A 63 -1.444 -0.162 2.193 1.00 0.13 H new ATOM 458 N HIS A 64 -7.553 -1.934 -1.575 1.00 0.04 N ATOM 459 CA HIS A 64 -7.594 -3.105 -2.424 1.00 0.04 C ATOM 460 C HIS A 64 -6.227 -3.763 -2.388 1.00 0.06 C ATOM 461 O HIS A 64 -5.187 -3.093 -2.417 1.00 0.08 O ATOM 462 CB HIS A 64 -7.868 -2.673 -3.877 1.00 0.05 C ATOM 463 CG HIS A 64 -9.035 -1.765 -4.069 1.00 0.05 C ATOM 464 ND1 HIS A 64 -8.931 -0.387 -3.917 1.00 0.06 N ATOM 465 CD2 HIS A 64 -10.307 -2.068 -4.397 1.00 0.06 C ATOM 466 CE1 HIS A 64 -10.131 0.093 -4.160 1.00 0.06 C ATOM 467 NE2 HIS A 64 -11.001 -0.881 -4.453 1.00 0.07 N ATOM 0 H HIS A 64 -7.628 -1.060 -2.095 1.00 0.04 H new ATOM 0 HA HIS A 64 -8.373 -3.785 -2.079 1.00 0.04 H new ATOM 0 HB2 HIS A 64 -6.977 -2.178 -4.264 1.00 0.05 H new ATOM 0 HB3 HIS A 64 -8.023 -3.568 -4.480 1.00 0.05 H new ATOM 0 HD2 HIS A 64 -10.706 -3.055 -4.581 1.00 0.06 H new ATOM 0 HE1 HIS A 64 -10.383 1.143 -4.127 1.00 0.06 H new ATOM 0 HE2 HIS A 64 -11.990 -0.765 -4.675 1.00 0.07 H new ATOM 475 N ASN A 65 -6.238 -5.062 -2.299 1.00 0.06 N ATOM 476 CA ASN A 65 -5.049 -5.858 -2.264 1.00 0.07 C ATOM 477 C ASN A 65 -4.213 -5.731 -3.535 1.00 0.08 C ATOM 478 O ASN A 65 -3.003 -5.857 -3.490 1.00 0.10 O ATOM 479 CB ASN A 65 -5.386 -7.328 -1.958 1.00 0.09 C ATOM 480 CG ASN A 65 -6.451 -7.934 -2.853 1.00 0.15 C ATOM 481 OD1 ASN A 65 -6.161 -8.454 -3.934 1.00 1.06 O ATOM 482 ND2 ASN A 65 -7.688 -7.927 -2.384 1.00 1.07 N ATOM 0 H ASN A 65 -7.097 -5.609 -2.248 1.00 0.06 H new ATOM 0 HA ASN A 65 -4.431 -5.469 -1.454 1.00 0.07 H new ATOM 0 HB2 ASN A 65 -4.476 -7.921 -2.046 1.00 0.09 H new ATOM 0 HB3 ASN A 65 -5.716 -7.403 -0.922 1.00 0.09 H new ATOM 0 HD21 ASN A 65 -8.439 -8.361 -2.920 1.00 1.07 H new ATOM 0 HD22 ASN A 65 -7.890 -7.488 -1.486 1.00 1.07 H new ATOM 489 N SER A 66 -4.871 -5.545 -4.652 1.00 0.09 N ATOM 490 CA SER A 66 -4.220 -5.434 -5.943 1.00 0.12 C ATOM 491 C SER A 66 -3.552 -4.062 -6.242 1.00 0.11 C ATOM 492 O SER A 66 -2.767 -3.956 -7.198 1.00 0.15 O ATOM 493 CB SER A 66 -5.231 -5.763 -7.026 1.00 0.16 C ATOM 494 OG SER A 66 -6.370 -4.920 -6.920 1.00 0.17 O ATOM 0 H SER A 66 -5.887 -5.465 -4.696 1.00 0.09 H new ATOM 0 HA SER A 66 -3.393 -6.144 -5.924 1.00 0.12 H new ATOM 0 HB2 SER A 66 -4.773 -5.642 -8.008 1.00 0.16 H new ATOM 0 HB3 SER A 66 -5.535 -6.806 -6.942 1.00 0.16 H new ATOM 0 HG SER A 66 -7.010 -5.145 -7.627 1.00 0.17 H new ATOM 500 N CYS A 67 -3.811 -3.026 -5.452 1.00 0.08 N ATOM 501 CA CYS A 67 -3.450 -1.694 -5.939 1.00 0.09 C ATOM 502 C CYS A 67 -2.173 -1.080 -5.406 1.00 0.10 C ATOM 503 O CYS A 67 -1.602 -0.197 -6.067 1.00 0.20 O ATOM 504 CB CYS A 67 -4.610 -0.713 -5.822 1.00 0.09 C ATOM 505 SG CYS A 67 -5.346 -0.599 -4.203 1.00 0.07 S ATOM 0 H CYS A 67 -4.242 -3.069 -4.528 1.00 0.08 H new ATOM 0 HA CYS A 67 -3.224 -1.886 -6.988 1.00 0.09 H new ATOM 0 HB2 CYS A 67 -4.259 0.277 -6.115 1.00 0.09 H new ATOM 0 HB3 CYS A 67 -5.382 -1.001 -6.535 1.00 0.09 H new ATOM 510 N PHE A 68 -1.693 -1.490 -4.257 1.00 0.09 N ATOM 511 CA PHE A 68 -0.545 -0.807 -3.731 1.00 0.09 C ATOM 512 C PHE A 68 0.758 -1.331 -4.283 1.00 0.07 C ATOM 513 O PHE A 68 1.298 -2.337 -3.831 1.00 0.07 O ATOM 514 CB PHE A 68 -0.531 -0.652 -2.198 1.00 0.10 C ATOM 515 CG PHE A 68 -0.678 -1.876 -1.335 1.00 0.09 C ATOM 516 CD1 PHE A 68 -1.784 -2.704 -1.408 1.00 0.10 C ATOM 517 CD2 PHE A 68 0.296 -2.156 -0.402 1.00 0.10 C ATOM 518 CE1 PHE A 68 -1.903 -3.796 -0.560 1.00 0.11 C ATOM 519 CE2 PHE A 68 0.184 -3.229 0.448 1.00 0.12 C ATOM 520 CZ PHE A 68 -0.910 -4.051 0.374 1.00 0.10 C ATOM 0 H PHE A 68 -2.060 -2.257 -3.693 1.00 0.09 H new ATOM 0 HA PHE A 68 -0.648 0.213 -4.102 1.00 0.09 H new ATOM 0 HB2 PHE A 68 0.408 -0.169 -1.926 1.00 0.10 H new ATOM 0 HB3 PHE A 68 -1.333 0.036 -1.930 1.00 0.10 H new ATOM 0 HD1 PHE A 68 -2.560 -2.499 -2.130 1.00 0.10 H new ATOM 0 HD2 PHE A 68 1.166 -1.519 -0.338 1.00 0.10 H new ATOM 0 HE1 PHE A 68 -2.764 -4.444 -0.627 1.00 0.11 H new ATOM 0 HE2 PHE A 68 0.958 -3.425 1.175 1.00 0.12 H new ATOM 0 HZ PHE A 68 -0.999 -4.895 1.041 1.00 0.10 H new ATOM 530 N CYS A 69 1.198 -0.673 -5.306 1.00 0.07 N ATOM 531 CA CYS A 69 2.443 -0.930 -5.949 1.00 0.07 C ATOM 532 C CYS A 69 3.365 0.232 -5.632 1.00 0.06 C ATOM 533 O CYS A 69 2.918 1.245 -5.085 1.00 0.06 O ATOM 534 CB CYS A 69 2.238 -1.035 -7.463 1.00 0.09 C ATOM 535 SG CYS A 69 0.949 -2.207 -7.958 1.00 0.12 S ATOM 0 H CYS A 69 0.676 0.091 -5.734 1.00 0.07 H new ATOM 0 HA CYS A 69 2.871 -1.869 -5.598 1.00 0.07 H new ATOM 0 HB2 CYS A 69 1.986 -0.049 -7.854 1.00 0.09 H new ATOM 0 HB3 CYS A 69 3.179 -1.330 -7.926 1.00 0.09 H new ATOM 0 HG CYS A 69 0.851 -2.222 -9.254 1.00 0.12 H new ATOM 541 N CYS A 70 4.630 0.088 -5.948 1.00 0.05 N ATOM 542 CA CYS A 70 5.594 1.137 -5.711 1.00 0.05 C ATOM 543 C CYS A 70 5.342 2.291 -6.652 1.00 0.06 C ATOM 544 O CYS A 70 4.994 2.125 -7.827 1.00 0.08 O ATOM 545 CB CYS A 70 7.011 0.574 -5.834 1.00 0.05 C ATOM 546 SG CYS A 70 8.422 1.719 -5.808 1.00 0.06 S ATOM 0 H CYS A 70 5.019 -0.753 -6.374 1.00 0.05 H new ATOM 0 HA CYS A 70 5.487 1.523 -4.697 1.00 0.05 H new ATOM 0 HB2 CYS A 70 7.152 -0.140 -5.023 1.00 0.05 H new ATOM 0 HB3 CYS A 70 7.061 0.012 -6.766 1.00 0.05 H new ATOM 551 N LYS A 71 5.465 3.447 -6.109 1.00 0.09 N ATOM 552 CA LYS A 71 5.204 4.655 -6.823 1.00 0.11 C ATOM 553 C LYS A 71 6.350 4.985 -7.777 1.00 0.12 C ATOM 554 O LYS A 71 6.165 5.700 -8.745 1.00 0.16 O ATOM 555 CB LYS A 71 4.957 5.801 -5.849 1.00 0.14 C ATOM 556 CG LYS A 71 4.315 7.065 -6.448 1.00 0.17 C ATOM 557 CD LYS A 71 2.793 6.987 -6.644 1.00 0.30 C ATOM 558 CE LYS A 71 2.399 6.050 -7.744 1.00 0.55 C ATOM 559 NZ LYS A 71 0.993 6.241 -8.169 1.00 1.33 N ATOM 0 H LYS A 71 5.754 3.589 -5.141 1.00 0.09 H new ATOM 0 HA LYS A 71 4.305 4.513 -7.423 1.00 0.11 H new ATOM 0 HB2 LYS A 71 4.317 5.438 -5.045 1.00 0.14 H new ATOM 0 HB3 LYS A 71 5.909 6.080 -5.397 1.00 0.14 H new ATOM 0 HG2 LYS A 71 4.540 7.911 -5.799 1.00 0.17 H new ATOM 0 HG3 LYS A 71 4.781 7.269 -7.412 1.00 0.17 H new ATOM 0 HD2 LYS A 71 2.327 6.664 -5.713 1.00 0.30 H new ATOM 0 HD3 LYS A 71 2.408 7.982 -6.865 1.00 0.30 H new ATOM 0 HE2 LYS A 71 3.058 6.200 -8.599 1.00 0.55 H new ATOM 0 HE3 LYS A 71 2.539 5.022 -7.410 1.00 0.55 H new ATOM 0 HZ1 LYS A 71 0.767 5.571 -8.931 1.00 1.33 H new ATOM 0 HZ2 LYS A 71 0.360 6.073 -7.361 1.00 1.33 H new ATOM 0 HZ3 LYS A 71 0.864 7.214 -8.513 1.00 1.33 H new ATOM 573 N HIS A 72 7.523 4.437 -7.519 1.00 0.11 N ATOM 574 CA HIS A 72 8.660 4.714 -8.378 1.00 0.12 C ATOM 575 C HIS A 72 8.791 3.624 -9.460 1.00 0.11 C ATOM 576 O HIS A 72 9.238 3.895 -10.578 1.00 0.13 O ATOM 577 CB HIS A 72 9.941 4.856 -7.550 1.00 0.13 C ATOM 578 CG HIS A 72 11.100 5.485 -8.285 1.00 0.18 C ATOM 579 ND1 HIS A 72 11.374 6.830 -8.163 1.00 0.24 N ATOM 580 CD2 HIS A 72 12.041 4.918 -9.071 1.00 0.20 C ATOM 581 CE1 HIS A 72 12.479 7.038 -8.870 1.00 0.27 C ATOM 582 NE2 HIS A 72 12.908 5.916 -9.434 1.00 0.26 N ATOM 0 H HIS A 72 7.713 3.809 -6.738 1.00 0.11 H new ATOM 0 HA HIS A 72 8.497 5.665 -8.886 1.00 0.12 H new ATOM 0 HB2 HIS A 72 9.721 5.454 -6.666 1.00 0.13 H new ATOM 0 HB3 HIS A 72 10.243 3.869 -7.200 1.00 0.13 H new ATOM 0 HD2 HIS A 72 12.099 3.879 -9.358 1.00 0.20 H new ATOM 0 HE1 HIS A 72 12.966 7.997 -8.973 1.00 0.27 H new ATOM 0 HE2 HIS A 72 13.731 5.815 -10.028 1.00 0.26 H new ATOM 590 N CYS A 73 8.388 2.402 -9.130 1.00 0.09 N ATOM 591 CA CYS A 73 8.380 1.324 -10.072 1.00 0.09 C ATOM 592 C CYS A 73 7.100 0.550 -9.827 1.00 0.08 C ATOM 593 O CYS A 73 6.801 0.272 -8.687 1.00 0.07 O ATOM 594 CB CYS A 73 9.602 0.427 -9.860 1.00 0.10 C ATOM 595 SG CYS A 73 9.614 -0.653 -8.396 1.00 0.08 S ATOM 0 H CYS A 73 8.061 2.146 -8.199 1.00 0.09 H new ATOM 0 HA CYS A 73 8.423 1.692 -11.097 1.00 0.09 H new ATOM 0 HB2 CYS A 73 9.713 -0.203 -10.743 1.00 0.10 H new ATOM 0 HB3 CYS A 73 10.483 1.067 -9.812 1.00 0.10 H new ATOM 600 N HIS A 74 6.338 0.187 -10.827 1.00 0.10 N ATOM 601 CA HIS A 74 5.055 -0.493 -10.532 1.00 0.10 C ATOM 602 C HIS A 74 5.204 -1.991 -10.253 1.00 0.10 C ATOM 603 O HIS A 74 4.603 -2.840 -10.904 1.00 0.13 O ATOM 604 CB HIS A 74 3.910 -0.173 -11.527 1.00 0.13 C ATOM 605 CG HIS A 74 4.133 -0.500 -12.983 1.00 1.21 C ATOM 606 ND1 HIS A 74 4.254 0.467 -13.949 1.00 1.81 N ATOM 607 CD2 HIS A 74 4.181 -1.683 -13.642 1.00 2.26 C ATOM 608 CE1 HIS A 74 4.365 -0.098 -15.127 1.00 2.72 C ATOM 609 NE2 HIS A 74 4.326 -1.402 -14.971 1.00 3.02 N ATOM 0 H HIS A 74 6.548 0.331 -11.815 1.00 0.10 H new ATOM 0 HA HIS A 74 4.734 -0.046 -9.591 1.00 0.10 H new ATOM 0 HB2 HIS A 74 3.019 -0.707 -11.196 1.00 0.13 H new ATOM 0 HB3 HIS A 74 3.689 0.892 -11.453 1.00 0.13 H new ATOM 0 HD2 HIS A 74 4.117 -2.666 -13.199 1.00 2.26 H new ATOM 0 HE1 HIS A 74 4.471 0.421 -16.068 1.00 2.72 H new ATOM 0 HE2 HIS A 74 4.393 -2.092 -15.720 1.00 3.02 H new ATOM 618 N THR A 75 6.001 -2.288 -9.276 1.00 0.10 N ATOM 619 CA THR A 75 6.197 -3.630 -8.833 1.00 0.10 C ATOM 620 C THR A 75 5.065 -3.963 -7.858 1.00 0.10 C ATOM 621 O THR A 75 4.696 -3.119 -6.997 1.00 0.10 O ATOM 622 CB THR A 75 7.612 -3.835 -8.182 1.00 0.10 C ATOM 623 OG1 THR A 75 7.852 -5.222 -7.891 1.00 0.11 O ATOM 624 CG2 THR A 75 7.765 -3.032 -6.895 1.00 0.10 C ATOM 0 H THR A 75 6.541 -1.595 -8.757 1.00 0.10 H new ATOM 0 HA THR A 75 6.170 -4.311 -9.684 1.00 0.10 H new ATOM 0 HB THR A 75 8.342 -3.480 -8.910 1.00 0.10 H new ATOM 0 HG1 THR A 75 8.740 -5.323 -7.488 1.00 0.11 H new ATOM 0 HG21 THR A 75 8.757 -3.201 -6.476 1.00 0.10 H new ATOM 0 HG22 THR A 75 7.638 -1.971 -7.111 1.00 0.10 H new ATOM 0 HG23 THR A 75 7.009 -3.349 -6.176 1.00 0.10 H new ATOM 632 N LYS A 76 4.457 -5.117 -8.041 1.00 0.11 N ATOM 633 CA LYS A 76 3.341 -5.540 -7.216 1.00 0.11 C ATOM 634 C LYS A 76 3.886 -5.978 -5.849 1.00 0.11 C ATOM 635 O LYS A 76 4.126 -7.147 -5.591 1.00 0.16 O ATOM 636 CB LYS A 76 2.551 -6.667 -7.944 1.00 0.13 C ATOM 637 CG LYS A 76 1.131 -6.997 -7.403 1.00 0.86 C ATOM 638 CD LYS A 76 1.127 -7.757 -6.074 1.00 1.59 C ATOM 639 CE LYS A 76 1.722 -9.158 -6.212 1.00 2.07 C ATOM 640 NZ LYS A 76 1.786 -9.862 -4.914 1.00 2.61 N ATOM 0 H LYS A 76 4.720 -5.787 -8.763 1.00 0.11 H new ATOM 0 HA LYS A 76 2.639 -4.723 -7.050 1.00 0.11 H new ATOM 0 HB2 LYS A 76 2.458 -6.391 -8.994 1.00 0.13 H new ATOM 0 HB3 LYS A 76 3.148 -7.578 -7.906 1.00 0.13 H new ATOM 0 HG2 LYS A 76 0.577 -6.067 -7.278 1.00 0.86 H new ATOM 0 HG3 LYS A 76 0.599 -7.588 -8.148 1.00 0.86 H new ATOM 0 HD2 LYS A 76 1.694 -7.194 -5.333 1.00 1.59 H new ATOM 0 HD3 LYS A 76 0.105 -7.832 -5.703 1.00 1.59 H new ATOM 0 HE2 LYS A 76 1.121 -9.740 -6.911 1.00 2.07 H new ATOM 0 HE3 LYS A 76 2.724 -9.086 -6.636 1.00 2.07 H new ATOM 0 HZ1 LYS A 76 2.195 -10.808 -5.052 1.00 2.61 H new ATOM 0 HZ2 LYS A 76 2.380 -9.320 -4.254 1.00 2.61 H new ATOM 0 HZ3 LYS A 76 0.827 -9.954 -4.521 1.00 2.61 H new ATOM 654 N LEU A 77 4.113 -5.006 -5.020 1.00 0.07 N ATOM 655 CA LEU A 77 4.635 -5.187 -3.680 1.00 0.06 C ATOM 656 C LEU A 77 3.552 -5.419 -2.672 1.00 0.06 C ATOM 657 O LEU A 77 3.822 -5.621 -1.479 1.00 0.07 O ATOM 658 CB LEU A 77 5.523 -3.997 -3.322 1.00 0.05 C ATOM 659 CG LEU A 77 4.868 -2.588 -3.369 1.00 0.04 C ATOM 660 CD1 LEU A 77 3.946 -2.279 -2.207 1.00 0.05 C ATOM 661 CD2 LEU A 77 5.921 -1.578 -3.425 1.00 0.04 C ATOM 0 H LEU A 77 3.938 -4.029 -5.255 1.00 0.07 H new ATOM 0 HA LEU A 77 5.242 -6.092 -3.659 1.00 0.06 H new ATOM 0 HB2 LEU A 77 5.913 -4.156 -2.317 1.00 0.05 H new ATOM 0 HB3 LEU A 77 6.377 -3.996 -3.999 1.00 0.05 H new ATOM 0 HG LEU A 77 4.241 -2.575 -4.260 1.00 0.04 H new ATOM 0 HD11 LEU A 77 3.536 -1.276 -2.325 1.00 0.05 H new ATOM 0 HD12 LEU A 77 3.132 -3.004 -2.186 1.00 0.05 H new ATOM 0 HD13 LEU A 77 4.506 -2.335 -1.273 1.00 0.05 H new ATOM 0 HD21 LEU A 77 5.472 -0.585 -3.458 1.00 0.04 H new ATOM 0 HD22 LEU A 77 6.552 -1.661 -2.540 1.00 0.04 H new ATOM 0 HD23 LEU A 77 6.526 -1.732 -4.318 1.00 0.04 H new ATOM 673 N SER A 78 2.342 -5.374 -3.153 1.00 0.06 N ATOM 674 CA SER A 78 1.184 -5.536 -2.368 1.00 0.07 C ATOM 675 C SER A 78 1.242 -6.831 -1.561 1.00 0.07 C ATOM 676 O SER A 78 1.662 -7.879 -2.073 1.00 0.08 O ATOM 677 CB SER A 78 0.039 -5.605 -3.319 1.00 0.07 C ATOM 678 OG SER A 78 0.216 -4.671 -4.380 1.00 0.08 O ATOM 0 H SER A 78 2.144 -5.217 -4.141 1.00 0.06 H new ATOM 0 HA SER A 78 1.087 -4.711 -1.662 1.00 0.07 H new ATOM 0 HB2 SER A 78 -0.045 -6.613 -3.724 1.00 0.07 H new ATOM 0 HB3 SER A 78 -0.892 -5.395 -2.793 1.00 0.07 H new ATOM 0 HG SER A 78 0.596 -3.841 -4.025 1.00 0.08 H new ATOM 684 N LEU A 79 0.822 -6.703 -0.317 1.00 0.08 N ATOM 685 CA LEU A 79 0.712 -7.749 0.689 1.00 0.09 C ATOM 686 C LEU A 79 1.722 -8.896 0.560 1.00 0.13 C ATOM 687 O LEU A 79 1.401 -9.982 0.090 1.00 0.18 O ATOM 688 CB LEU A 79 -0.709 -8.242 0.770 1.00 0.10 C ATOM 689 CG LEU A 79 -1.289 -8.386 2.185 1.00 0.11 C ATOM 690 CD1 LEU A 79 -0.528 -9.403 2.966 1.00 0.11 C ATOM 691 CD2 LEU A 79 -1.264 -7.052 2.919 1.00 0.14 C ATOM 0 H LEU A 79 0.526 -5.797 0.047 1.00 0.08 H new ATOM 0 HA LEU A 79 0.986 -7.282 1.635 1.00 0.09 H new ATOM 0 HB2 LEU A 79 -1.343 -7.558 0.206 1.00 0.10 H new ATOM 0 HB3 LEU A 79 -0.766 -9.211 0.274 1.00 0.10 H new ATOM 0 HG LEU A 79 -2.324 -8.715 2.088 1.00 0.11 H new ATOM 0 HD11 LEU A 79 -0.955 -9.489 3.965 1.00 0.11 H new ATOM 0 HD12 LEU A 79 -0.587 -10.368 2.462 1.00 0.11 H new ATOM 0 HD13 LEU A 79 0.515 -9.097 3.043 1.00 0.11 H new ATOM 0 HD21 LEU A 79 -1.680 -7.179 3.919 1.00 0.14 H new ATOM 0 HD22 LEU A 79 -0.236 -6.698 2.996 1.00 0.14 H new ATOM 0 HD23 LEU A 79 -1.859 -6.323 2.369 1.00 0.14 H new ATOM 703 N GLY A 80 2.916 -8.634 0.987 1.00 0.19 N ATOM 704 CA GLY A 80 3.955 -9.630 1.002 1.00 0.24 C ATOM 705 C GLY A 80 5.187 -9.029 1.574 1.00 0.24 C ATOM 706 O GLY A 80 5.663 -9.423 2.627 1.00 0.29 O ATOM 0 H GLY A 80 3.205 -7.721 1.338 1.00 0.19 H new ATOM 0 HA2 GLY A 80 3.644 -10.490 1.595 1.00 0.24 H new ATOM 0 HA3 GLY A 80 4.146 -9.992 -0.008 1.00 0.24 H new ATOM 710 N SER A 81 5.670 -8.047 0.900 1.00 0.20 N ATOM 711 CA SER A 81 6.803 -7.285 1.336 1.00 0.19 C ATOM 712 C SER A 81 6.673 -5.891 0.759 1.00 0.13 C ATOM 713 O SER A 81 6.813 -5.694 -0.453 1.00 0.13 O ATOM 714 CB SER A 81 8.116 -7.987 0.929 1.00 0.24 C ATOM 715 OG SER A 81 8.150 -8.294 -0.460 1.00 0.26 O ATOM 0 H SER A 81 5.285 -7.737 0.008 1.00 0.20 H new ATOM 0 HA SER A 81 6.832 -7.210 2.423 1.00 0.19 H new ATOM 0 HB2 SER A 81 8.962 -7.346 1.179 1.00 0.24 H new ATOM 0 HB3 SER A 81 8.230 -8.905 1.506 1.00 0.24 H new ATOM 0 HG SER A 81 7.729 -7.568 -0.966 1.00 0.26 H new ATOM 721 N TYR A 82 6.366 -4.938 1.592 1.00 0.10 N ATOM 722 CA TYR A 82 6.077 -3.626 1.118 1.00 0.06 C ATOM 723 C TYR A 82 6.632 -2.587 2.057 1.00 0.09 C ATOM 724 O TYR A 82 7.003 -2.892 3.192 1.00 0.11 O ATOM 725 CB TYR A 82 4.537 -3.447 0.939 1.00 0.06 C ATOM 726 CG TYR A 82 3.677 -3.587 2.199 1.00 0.08 C ATOM 727 CD1 TYR A 82 3.731 -2.630 3.196 1.00 0.17 C ATOM 728 CD2 TYR A 82 2.791 -4.654 2.369 1.00 0.12 C ATOM 729 CE1 TYR A 82 2.960 -2.713 4.320 1.00 0.18 C ATOM 730 CE2 TYR A 82 2.002 -4.749 3.507 1.00 0.13 C ATOM 731 CZ TYR A 82 2.101 -3.764 4.486 1.00 0.15 C ATOM 732 OH TYR A 82 1.327 -3.826 5.630 1.00 0.15 O ATOM 0 H TYR A 82 6.311 -5.051 2.604 1.00 0.10 H new ATOM 0 HA TYR A 82 6.556 -3.492 0.148 1.00 0.06 H new ATOM 0 HB2 TYR A 82 4.357 -2.461 0.512 1.00 0.06 H new ATOM 0 HB3 TYR A 82 4.192 -4.179 0.209 1.00 0.06 H new ATOM 0 HD1 TYR A 82 4.403 -1.792 3.082 1.00 0.17 H new ATOM 0 HD2 TYR A 82 2.719 -5.414 1.605 1.00 0.12 H new ATOM 0 HE1 TYR A 82 3.029 -1.948 5.079 1.00 0.18 H new ATOM 0 HE2 TYR A 82 1.320 -5.577 3.632 1.00 0.13 H new ATOM 0 HH TYR A 82 1.434 -2.998 6.143 1.00 0.15 H new ATOM 742 N ALA A 83 6.688 -1.394 1.592 1.00 0.11 N ATOM 743 CA ALA A 83 7.072 -0.275 2.382 1.00 0.15 C ATOM 744 C ALA A 83 6.097 0.833 2.077 1.00 0.11 C ATOM 745 O ALA A 83 5.744 1.052 0.924 1.00 0.13 O ATOM 746 CB ALA A 83 8.496 0.138 2.070 1.00 0.21 C ATOM 0 H ALA A 83 6.463 -1.158 0.626 1.00 0.11 H new ATOM 0 HA ALA A 83 7.047 -0.519 3.444 1.00 0.15 H new ATOM 0 HB1 ALA A 83 8.769 0.995 2.685 1.00 0.21 H new ATOM 0 HB2 ALA A 83 9.170 -0.691 2.283 1.00 0.21 H new ATOM 0 HB3 ALA A 83 8.574 0.408 1.017 1.00 0.21 H new ATOM 752 N ALA A 84 5.614 1.483 3.065 1.00 0.13 N ATOM 753 CA ALA A 84 4.641 2.500 2.836 1.00 0.15 C ATOM 754 C ALA A 84 5.017 3.772 3.532 1.00 0.18 C ATOM 755 O ALA A 84 5.506 3.750 4.673 1.00 0.22 O ATOM 756 CB ALA A 84 3.272 2.028 3.272 1.00 0.20 C ATOM 0 H ALA A 84 5.870 1.336 4.041 1.00 0.13 H new ATOM 0 HA ALA A 84 4.608 2.706 1.766 1.00 0.15 H new ATOM 0 HB1 ALA A 84 2.541 2.816 3.091 1.00 0.20 H new ATOM 0 HB2 ALA A 84 2.996 1.139 2.705 1.00 0.20 H new ATOM 0 HB3 ALA A 84 3.291 1.789 4.335 1.00 0.20 H new ATOM 762 N LEU A 85 4.827 4.866 2.857 1.00 0.21 N ATOM 763 CA LEU A 85 5.062 6.143 3.417 1.00 0.26 C ATOM 764 C LEU A 85 3.857 6.978 3.125 1.00 0.24 C ATOM 765 O LEU A 85 3.101 6.678 2.204 1.00 0.22 O ATOM 766 CB LEU A 85 6.306 6.802 2.795 1.00 0.33 C ATOM 767 CG LEU A 85 6.708 8.148 3.385 1.00 0.43 C ATOM 768 CD1 LEU A 85 7.421 7.968 4.682 1.00 0.53 C ATOM 769 CD2 LEU A 85 7.547 8.968 2.446 1.00 0.65 C ATOM 0 H LEU A 85 4.500 4.886 1.891 1.00 0.21 H new ATOM 0 HA LEU A 85 5.239 6.053 4.489 1.00 0.26 H new ATOM 0 HB2 LEU A 85 7.147 6.116 2.897 1.00 0.33 H new ATOM 0 HB3 LEU A 85 6.129 6.933 1.727 1.00 0.33 H new ATOM 0 HG LEU A 85 5.782 8.697 3.555 1.00 0.43 H new ATOM 0 HD11 LEU A 85 7.698 8.943 5.083 1.00 0.53 H new ATOM 0 HD12 LEU A 85 6.767 7.457 5.389 1.00 0.53 H new ATOM 0 HD13 LEU A 85 8.320 7.372 4.523 1.00 0.53 H new ATOM 0 HD21 LEU A 85 7.803 9.916 2.920 1.00 0.65 H new ATOM 0 HD22 LEU A 85 8.460 8.424 2.205 1.00 0.65 H new ATOM 0 HD23 LEU A 85 6.987 9.160 1.531 1.00 0.65 H new ATOM 781 N HIS A 86 3.635 7.950 3.948 1.00 0.28 N ATOM 782 CA HIS A 86 2.622 8.952 3.722 1.00 0.27 C ATOM 783 C HIS A 86 2.762 9.525 2.315 1.00 0.28 C ATOM 784 O HIS A 86 3.814 10.066 1.947 1.00 0.34 O ATOM 785 CB HIS A 86 2.725 10.067 4.804 1.00 0.33 C ATOM 786 CG HIS A 86 4.148 10.497 5.155 1.00 0.41 C ATOM 787 ND1 HIS A 86 4.745 10.182 6.351 1.00 0.49 N ATOM 788 CD2 HIS A 86 5.087 11.188 4.462 1.00 0.45 C ATOM 789 CE1 HIS A 86 5.964 10.657 6.376 1.00 0.56 C ATOM 790 NE2 HIS A 86 6.197 11.270 5.248 1.00 0.54 N ATOM 0 H HIS A 86 4.157 8.080 4.815 1.00 0.28 H new ATOM 0 HA HIS A 86 1.635 8.496 3.803 1.00 0.27 H new ATOM 0 HB2 HIS A 86 2.173 10.941 4.458 1.00 0.33 H new ATOM 0 HB3 HIS A 86 2.233 9.718 5.712 1.00 0.33 H new ATOM 0 HD2 HIS A 86 4.975 11.598 3.469 1.00 0.45 H new ATOM 0 HE1 HIS A 86 6.662 10.558 7.195 1.00 0.56 H new ATOM 0 HE2 HIS A 86 7.069 11.735 4.995 1.00 0.54 H new ATOM 799 N GLY A 87 1.739 9.356 1.536 1.00 0.26 N ATOM 800 CA GLY A 87 1.752 9.832 0.197 1.00 0.32 C ATOM 801 C GLY A 87 2.037 8.746 -0.831 1.00 0.26 C ATOM 802 O GLY A 87 1.347 8.670 -1.843 1.00 0.26 O ATOM 0 H GLY A 87 0.877 8.886 1.813 1.00 0.26 H new ATOM 0 HA2 GLY A 87 0.788 10.289 -0.027 1.00 0.32 H new ATOM 0 HA3 GLY A 87 2.505 10.615 0.105 1.00 0.32 H new ATOM 806 N GLU A 88 3.040 7.895 -0.586 1.00 0.22 N ATOM 807 CA GLU A 88 3.479 6.924 -1.595 1.00 0.18 C ATOM 808 C GLU A 88 3.784 5.557 -0.992 1.00 0.15 C ATOM 809 O GLU A 88 4.360 5.456 0.089 1.00 0.15 O ATOM 810 CB GLU A 88 4.746 7.438 -2.288 1.00 0.17 C ATOM 811 CG GLU A 88 4.599 8.832 -2.858 1.00 0.20 C ATOM 812 CD GLU A 88 5.889 9.416 -3.350 1.00 0.21 C ATOM 813 OE1 GLU A 88 6.292 9.139 -4.492 1.00 0.26 O ATOM 814 OE2 GLU A 88 6.495 10.226 -2.619 1.00 0.26 O ATOM 0 H GLU A 88 3.558 7.858 0.292 1.00 0.22 H new ATOM 0 HA GLU A 88 2.660 6.811 -2.305 1.00 0.18 H new ATOM 0 HB2 GLU A 88 5.569 7.431 -1.574 1.00 0.17 H new ATOM 0 HB3 GLU A 88 5.015 6.752 -3.091 1.00 0.17 H new ATOM 0 HG2 GLU A 88 3.884 8.806 -3.680 1.00 0.20 H new ATOM 0 HG3 GLU A 88 4.181 9.487 -2.093 1.00 0.20 H new ATOM 821 N PHE A 89 3.446 4.518 -1.711 1.00 0.13 N ATOM 822 CA PHE A 89 3.804 3.186 -1.329 1.00 0.10 C ATOM 823 C PHE A 89 5.012 2.864 -2.155 1.00 0.09 C ATOM 824 O PHE A 89 5.067 3.206 -3.348 1.00 0.09 O ATOM 825 CB PHE A 89 2.641 2.206 -1.576 1.00 0.09 C ATOM 826 CG PHE A 89 1.420 2.563 -0.755 1.00 0.09 C ATOM 827 CD1 PHE A 89 0.597 3.619 -1.133 1.00 0.14 C ATOM 828 CD2 PHE A 89 1.124 1.881 0.421 1.00 0.18 C ATOM 829 CE1 PHE A 89 -0.484 3.983 -0.370 1.00 0.19 C ATOM 830 CE2 PHE A 89 0.047 2.250 1.189 1.00 0.22 C ATOM 831 CZ PHE A 89 -0.757 3.308 0.787 1.00 0.14 C ATOM 0 H PHE A 89 2.914 4.577 -2.579 1.00 0.13 H new ATOM 0 HA PHE A 89 4.020 3.099 -0.264 1.00 0.10 H new ATOM 0 HB2 PHE A 89 2.381 2.210 -2.635 1.00 0.09 H new ATOM 0 HB3 PHE A 89 2.961 1.193 -1.330 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.812 4.161 -2.042 1.00 0.14 H new ATOM 0 HD2 PHE A 89 1.746 1.055 0.732 1.00 0.18 H new ATOM 0 HE1 PHE A 89 -1.117 4.800 -0.683 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -0.174 1.719 2.103 1.00 0.22 H new ATOM 0 HZ PHE A 89 -1.603 3.599 1.392 1.00 0.14 H new ATOM 841 N TYR A 90 5.986 2.274 -1.565 1.00 0.08 N ATOM 842 CA TYR A 90 7.253 2.182 -2.208 1.00 0.08 C ATOM 843 C TYR A 90 7.791 0.799 -1.978 1.00 0.06 C ATOM 844 O TYR A 90 7.433 0.146 -1.012 1.00 0.08 O ATOM 845 CB TYR A 90 8.146 3.199 -1.527 1.00 0.09 C ATOM 846 CG TYR A 90 8.609 4.345 -2.372 1.00 0.10 C ATOM 847 CD1 TYR A 90 7.679 5.211 -2.934 1.00 0.15 C ATOM 848 CD2 TYR A 90 9.950 4.608 -2.576 1.00 0.13 C ATOM 849 CE1 TYR A 90 8.065 6.292 -3.669 1.00 0.22 C ATOM 850 CE2 TYR A 90 10.350 5.696 -3.322 1.00 0.20 C ATOM 851 CZ TYR A 90 9.396 6.537 -3.865 1.00 0.15 C ATOM 852 OH TYR A 90 9.774 7.634 -4.593 1.00 0.34 O ATOM 0 H TYR A 90 5.935 1.847 -0.640 1.00 0.08 H new ATOM 0 HA TYR A 90 7.194 2.370 -3.280 1.00 0.08 H new ATOM 0 HB2 TYR A 90 7.612 3.602 -0.667 1.00 0.09 H new ATOM 0 HB3 TYR A 90 9.024 2.680 -1.143 1.00 0.09 H new ATOM 0 HD1 TYR A 90 6.626 5.023 -2.785 1.00 0.15 H new ATOM 0 HD2 TYR A 90 10.694 3.953 -2.146 1.00 0.13 H new ATOM 0 HE1 TYR A 90 7.323 6.952 -4.094 1.00 0.22 H new ATOM 0 HE2 TYR A 90 11.400 5.890 -3.481 1.00 0.20 H new ATOM 0 HH TYR A 90 10.643 7.955 -4.273 1.00 0.34 H new ATOM 862 N CYS A 91 8.605 0.320 -2.871 1.00 0.05 N ATOM 863 CA CYS A 91 9.136 -0.993 -2.682 1.00 0.05 C ATOM 864 C CYS A 91 10.263 -0.927 -1.694 1.00 0.08 C ATOM 865 O CYS A 91 10.895 0.129 -1.595 1.00 0.08 O ATOM 866 CB CYS A 91 9.584 -1.638 -4.004 1.00 0.05 C ATOM 867 SG CYS A 91 10.968 -0.820 -4.822 1.00 0.06 S ATOM 0 H CYS A 91 8.909 0.805 -3.716 1.00 0.05 H new ATOM 0 HA CYS A 91 8.346 -1.633 -2.289 1.00 0.05 H new ATOM 0 HB2 CYS A 91 9.858 -2.675 -3.810 1.00 0.05 H new ATOM 0 HB3 CYS A 91 8.736 -1.655 -4.688 1.00 0.05 H new ATOM 872 N LYS A 92 10.519 -1.983 -0.977 1.00 0.11 N ATOM 873 CA LYS A 92 11.573 -1.996 0.006 1.00 0.13 C ATOM 874 C LYS A 92 12.940 -1.529 -0.591 1.00 0.13 C ATOM 875 O LYS A 92 13.601 -0.697 0.037 1.00 0.14 O ATOM 876 CB LYS A 92 11.638 -3.379 0.691 1.00 0.17 C ATOM 877 CG LYS A 92 10.303 -3.743 1.359 1.00 0.24 C ATOM 878 CD LYS A 92 10.259 -5.148 1.958 1.00 0.30 C ATOM 879 CE LYS A 92 11.202 -5.311 3.129 1.00 1.36 C ATOM 880 NZ LYS A 92 10.971 -6.575 3.859 1.00 2.19 N ATOM 0 H LYS A 92 10.005 -2.861 -1.054 1.00 0.11 H new ATOM 0 HA LYS A 92 11.342 -1.264 0.780 1.00 0.13 H new ATOM 0 HB2 LYS A 92 11.896 -4.139 -0.047 1.00 0.17 H new ATOM 0 HB3 LYS A 92 12.431 -3.378 1.439 1.00 0.17 H new ATOM 0 HG2 LYS A 92 10.096 -3.019 2.147 1.00 0.24 H new ATOM 0 HG3 LYS A 92 9.505 -3.650 0.622 1.00 0.24 H new ATOM 0 HD2 LYS A 92 9.242 -5.369 2.282 1.00 0.30 H new ATOM 0 HD3 LYS A 92 10.513 -5.876 1.187 1.00 0.30 H new ATOM 0 HE2 LYS A 92 12.231 -5.283 2.771 1.00 1.36 H new ATOM 0 HE3 LYS A 92 11.079 -4.471 3.812 1.00 1.36 H new ATOM 0 HZ1 LYS A 92 11.345 -6.491 4.826 1.00 2.19 H new ATOM 0 HZ2 LYS A 92 9.951 -6.772 3.898 1.00 2.19 H new ATOM 0 HZ3 LYS A 92 11.455 -7.353 3.367 1.00 2.19 H new ATOM 894 N PRO A 93 13.374 -1.979 -1.823 1.00 0.13 N ATOM 895 CA PRO A 93 14.606 -1.458 -2.434 1.00 0.14 C ATOM 896 C PRO A 93 14.541 0.067 -2.683 1.00 0.13 C ATOM 897 O PRO A 93 15.453 0.800 -2.313 1.00 0.14 O ATOM 898 CB PRO A 93 14.708 -2.202 -3.765 1.00 0.14 C ATOM 899 CG PRO A 93 13.866 -3.415 -3.598 1.00 0.14 C ATOM 900 CD PRO A 93 12.762 -3.036 -2.676 1.00 0.13 C ATOM 0 HA PRO A 93 15.466 -1.611 -1.782 1.00 0.14 H new ATOM 0 HB2 PRO A 93 14.351 -1.585 -4.590 1.00 0.14 H new ATOM 0 HB3 PRO A 93 15.741 -2.467 -3.990 1.00 0.14 H new ATOM 0 HG2 PRO A 93 13.473 -3.750 -4.558 1.00 0.14 H new ATOM 0 HG3 PRO A 93 14.449 -4.239 -3.187 1.00 0.14 H new ATOM 0 HD2 PRO A 93 11.895 -2.662 -3.220 1.00 0.13 H new ATOM 0 HD3 PRO A 93 12.424 -3.886 -2.083 1.00 0.13 H new ATOM 908 N HIS A 94 13.456 0.547 -3.287 1.00 0.11 N ATOM 909 CA HIS A 94 13.331 1.989 -3.581 1.00 0.11 C ATOM 910 C HIS A 94 13.157 2.831 -2.353 1.00 0.12 C ATOM 911 O HIS A 94 13.638 3.948 -2.307 1.00 0.13 O ATOM 912 CB HIS A 94 12.239 2.325 -4.603 1.00 0.09 C ATOM 913 CG HIS A 94 12.635 2.087 -6.015 1.00 0.10 C ATOM 914 ND1 HIS A 94 11.711 1.781 -6.980 1.00 0.09 N ATOM 915 CD2 HIS A 94 13.857 2.163 -6.564 1.00 0.12 C ATOM 916 CE1 HIS A 94 12.395 1.669 -8.113 1.00 0.10 C ATOM 917 NE2 HIS A 94 13.706 1.897 -7.904 1.00 0.12 N ATOM 0 H HIS A 94 12.661 -0.021 -3.581 1.00 0.11 H new ATOM 0 HA HIS A 94 14.290 2.241 -4.034 1.00 0.11 H new ATOM 0 HB2 HIS A 94 11.353 1.731 -4.380 1.00 0.09 H new ATOM 0 HB3 HIS A 94 11.958 3.372 -4.487 1.00 0.09 H new ATOM 0 HD2 HIS A 94 14.781 2.389 -6.052 1.00 0.12 H new ATOM 0 HE1 HIS A 94 11.959 1.428 -9.071 1.00 0.10 H new ATOM 0 HE2 HIS A 94 14.446 1.876 -8.606 1.00 0.12 H new ATOM 925 N PHE A 95 12.485 2.306 -1.367 1.00 0.13 N ATOM 926 CA PHE A 95 12.250 3.026 -0.143 1.00 0.16 C ATOM 927 C PHE A 95 13.588 3.269 0.544 1.00 0.19 C ATOM 928 O PHE A 95 13.857 4.357 1.011 1.00 0.22 O ATOM 929 CB PHE A 95 11.324 2.209 0.746 1.00 0.19 C ATOM 930 CG PHE A 95 10.607 3.010 1.776 1.00 0.22 C ATOM 931 CD1 PHE A 95 9.714 3.971 1.391 1.00 0.29 C ATOM 932 CD2 PHE A 95 10.809 2.801 3.110 1.00 0.27 C ATOM 933 CE1 PHE A 95 9.037 4.709 2.305 1.00 0.35 C ATOM 934 CE2 PHE A 95 10.127 3.542 4.049 1.00 0.33 C ATOM 935 CZ PHE A 95 9.237 4.501 3.643 1.00 0.34 C ATOM 0 H PHE A 95 12.084 1.368 -1.387 1.00 0.13 H new ATOM 0 HA PHE A 95 11.776 3.987 -0.345 1.00 0.16 H new ATOM 0 HB2 PHE A 95 10.590 1.702 0.119 1.00 0.19 H new ATOM 0 HB3 PHE A 95 11.907 1.434 1.244 1.00 0.19 H new ATOM 0 HD1 PHE A 95 9.545 4.146 0.339 1.00 0.29 H new ATOM 0 HD2 PHE A 95 11.511 2.046 3.432 1.00 0.27 H new ATOM 0 HE1 PHE A 95 8.338 5.463 1.976 1.00 0.35 H new ATOM 0 HE2 PHE A 95 10.293 3.368 5.102 1.00 0.33 H new ATOM 0 HZ PHE A 95 8.698 5.088 4.372 1.00 0.34 H new ATOM 945 N GLN A 96 14.426 2.245 0.558 1.00 0.20 N ATOM 946 CA GLN A 96 15.770 2.331 1.127 1.00 0.23 C ATOM 947 C GLN A 96 16.671 3.286 0.354 1.00 0.23 C ATOM 948 O GLN A 96 17.446 4.022 0.945 1.00 0.26 O ATOM 949 CB GLN A 96 16.410 0.951 1.224 1.00 0.26 C ATOM 950 CG GLN A 96 15.711 0.046 2.207 1.00 0.41 C ATOM 951 CD GLN A 96 16.223 -1.378 2.184 1.00 0.70 C ATOM 952 OE1 GLN A 96 17.141 -1.746 2.904 1.00 1.18 O ATOM 953 NE2 GLN A 96 15.624 -2.187 1.360 1.00 1.58 N ATOM 0 H GLN A 96 14.197 1.327 0.176 1.00 0.20 H new ATOM 0 HA GLN A 96 15.659 2.738 2.132 1.00 0.23 H new ATOM 0 HB2 GLN A 96 16.403 0.483 0.239 1.00 0.26 H new ATOM 0 HB3 GLN A 96 17.454 1.060 1.518 1.00 0.26 H new ATOM 0 HG2 GLN A 96 15.832 0.451 3.212 1.00 0.41 H new ATOM 0 HG3 GLN A 96 14.643 0.043 1.991 1.00 0.41 H new ATOM 0 HE21 GLN A 96 14.862 -1.846 0.774 1.00 1.58 H new ATOM 0 HE22 GLN A 96 15.917 -3.162 1.300 1.00 1.58 H new ATOM 962 N GLN A 97 16.608 3.235 -0.961 1.00 0.21 N ATOM 963 CA GLN A 97 17.441 4.073 -1.778 1.00 0.22 C ATOM 964 C GLN A 97 16.973 5.542 -1.837 1.00 0.24 C ATOM 965 O GLN A 97 17.742 6.463 -1.575 1.00 0.28 O ATOM 966 CB GLN A 97 17.464 3.507 -3.186 1.00 0.22 C ATOM 967 CG GLN A 97 18.082 2.133 -3.311 1.00 0.27 C ATOM 968 CD GLN A 97 18.023 1.606 -4.726 1.00 0.35 C ATOM 969 OE1 GLN A 97 18.938 1.816 -5.519 1.00 1.06 O ATOM 970 NE2 GLN A 97 16.960 0.924 -5.052 1.00 1.29 N ATOM 0 H GLN A 97 15.985 2.618 -1.482 1.00 0.21 H new ATOM 0 HA GLN A 97 18.432 4.078 -1.324 1.00 0.22 H new ATOM 0 HB2 GLN A 97 16.442 3.465 -3.561 1.00 0.22 H new ATOM 0 HB3 GLN A 97 18.012 4.195 -3.830 1.00 0.22 H new ATOM 0 HG2 GLN A 97 19.121 2.173 -2.983 1.00 0.27 H new ATOM 0 HG3 GLN A 97 17.564 1.442 -2.646 1.00 0.27 H new ATOM 0 HE21 GLN A 97 16.222 0.771 -4.365 1.00 1.29 H new ATOM 0 HE22 GLN A 97 16.867 0.544 -5.994 1.00 1.29 H new ATOM 979 N LEU A 98 15.727 5.741 -2.190 1.00 0.21 N ATOM 980 CA LEU A 98 15.173 7.072 -2.396 1.00 0.24 C ATOM 981 C LEU A 98 14.784 7.774 -1.119 1.00 0.26 C ATOM 982 O LEU A 98 15.105 8.936 -0.918 1.00 0.32 O ATOM 983 CB LEU A 98 13.985 6.965 -3.316 1.00 0.20 C ATOM 984 CG LEU A 98 14.307 6.542 -4.744 1.00 0.24 C ATOM 985 CD1 LEU A 98 13.092 5.979 -5.382 1.00 0.21 C ATOM 986 CD2 LEU A 98 14.784 7.730 -5.552 1.00 0.28 C ATOM 0 H LEU A 98 15.059 4.986 -2.345 1.00 0.21 H new ATOM 0 HA LEU A 98 15.958 7.684 -2.841 1.00 0.24 H new ATOM 0 HB2 LEU A 98 13.281 6.249 -2.892 1.00 0.20 H new ATOM 0 HB3 LEU A 98 13.480 7.930 -3.345 1.00 0.20 H new ATOM 0 HG LEU A 98 15.095 5.790 -4.715 1.00 0.24 H new ATOM 0 HD11 LEU A 98 13.324 5.677 -6.403 1.00 0.21 H new ATOM 0 HD12 LEU A 98 12.752 5.112 -4.816 1.00 0.21 H new ATOM 0 HD13 LEU A 98 12.306 6.734 -5.397 1.00 0.21 H new ATOM 0 HD21 LEU A 98 15.010 7.411 -6.569 1.00 0.28 H new ATOM 0 HD22 LEU A 98 14.004 8.491 -5.575 1.00 0.28 H new ATOM 0 HD23 LEU A 98 15.682 8.145 -5.094 1.00 0.28 H new ATOM 998 N PHE A 99 14.126 7.066 -0.233 1.00 0.25 N ATOM 999 CA PHE A 99 13.647 7.695 0.976 1.00 0.32 C ATOM 1000 C PHE A 99 14.557 7.413 2.143 1.00 0.35 C ATOM 1001 O PHE A 99 14.465 8.038 3.190 1.00 0.54 O ATOM 1002 CB PHE A 99 12.203 7.280 1.293 1.00 0.35 C ATOM 1003 CG PHE A 99 11.139 7.878 0.397 1.00 0.38 C ATOM 1004 CD1 PHE A 99 11.403 8.979 -0.415 1.00 0.62 C ATOM 1005 CD2 PHE A 99 9.869 7.331 0.364 1.00 0.44 C ATOM 1006 CE1 PHE A 99 10.425 9.503 -1.228 1.00 0.64 C ATOM 1007 CE2 PHE A 99 8.894 7.861 -0.451 1.00 0.47 C ATOM 1008 CZ PHE A 99 9.178 8.946 -1.247 1.00 0.42 C ATOM 0 H PHE A 99 13.912 6.073 -0.322 1.00 0.25 H new ATOM 0 HA PHE A 99 13.653 8.771 0.802 1.00 0.32 H new ATOM 0 HB2 PHE A 99 12.135 6.194 1.233 1.00 0.35 H new ATOM 0 HB3 PHE A 99 11.982 7.557 2.324 1.00 0.35 H new ATOM 0 HD1 PHE A 99 12.386 9.426 -0.406 1.00 0.62 H new ATOM 0 HD2 PHE A 99 9.639 6.478 0.985 1.00 0.44 H new ATOM 0 HE1 PHE A 99 10.644 10.357 -1.853 1.00 0.64 H new ATOM 0 HE2 PHE A 99 7.906 7.425 -0.465 1.00 0.47 H new ATOM 0 HZ PHE A 99 8.413 9.359 -1.889 1.00 0.42 H new ATOM 1018 N LYS A 100 15.439 6.442 1.915 1.00 0.30 N ATOM 1019 CA LYS A 100 16.453 5.993 2.838 1.00 0.37 C ATOM 1020 C LYS A 100 15.826 5.592 4.173 1.00 0.60 C ATOM 1021 O LYS A 100 16.282 5.981 5.231 1.00 1.48 O ATOM 1022 CB LYS A 100 17.548 7.068 2.988 1.00 0.79 C ATOM 1023 CG LYS A 100 18.812 6.580 3.679 1.00 1.70 C ATOM 1024 CD LYS A 100 19.855 7.677 3.812 1.00 2.17 C ATOM 1025 CE LYS A 100 19.386 8.822 4.701 1.00 3.02 C ATOM 1026 NZ LYS A 100 19.069 8.374 6.076 1.00 3.68 N ATOM 0 H LYS A 100 15.458 5.928 1.034 1.00 0.30 H new ATOM 0 HA LYS A 100 16.935 5.100 2.442 1.00 0.37 H new ATOM 0 HB2 LYS A 100 17.810 7.444 1.999 1.00 0.79 H new ATOM 0 HB3 LYS A 100 17.141 7.908 3.551 1.00 0.79 H new ATOM 0 HG2 LYS A 100 18.559 6.200 4.669 1.00 1.70 H new ATOM 0 HG3 LYS A 100 19.233 5.747 3.116 1.00 1.70 H new ATOM 0 HD2 LYS A 100 20.772 7.254 4.223 1.00 2.17 H new ATOM 0 HD3 LYS A 100 20.098 8.065 2.823 1.00 2.17 H new ATOM 0 HE2 LYS A 100 20.160 9.588 4.741 1.00 3.02 H new ATOM 0 HE3 LYS A 100 18.503 9.283 4.259 1.00 3.02 H new ATOM 0 HZ1 LYS A 100 18.936 9.203 6.689 1.00 3.68 H new ATOM 0 HZ2 LYS A 100 18.196 7.808 6.064 1.00 3.68 H new ATOM 0 HZ3 LYS A 100 19.852 7.795 6.442 1.00 3.68 H new ATOM 1040 N SER A 101 14.777 4.811 4.106 1.00 0.82 N ATOM 1041 CA SER A 101 14.064 4.434 5.288 1.00 1.14 C ATOM 1042 C SER A 101 13.573 2.986 5.165 1.00 0.92 C ATOM 1043 O SER A 101 13.630 2.400 4.075 1.00 1.67 O ATOM 1044 CB SER A 101 12.884 5.415 5.496 1.00 1.78 C ATOM 1045 OG SER A 101 12.217 5.205 6.734 1.00 2.59 O ATOM 0 H SER A 101 14.401 4.426 3.240 1.00 0.82 H new ATOM 0 HA SER A 101 14.721 4.487 6.156 1.00 1.14 H new ATOM 0 HB2 SER A 101 13.255 6.439 5.455 1.00 1.78 H new ATOM 0 HB3 SER A 101 12.172 5.301 4.679 1.00 1.78 H new ATOM 0 HG SER A 101 11.482 5.847 6.822 1.00 2.59 H new ATOM 1051 N LYS A 102 13.123 2.449 6.299 1.00 1.04 N ATOM 1052 CA LYS A 102 12.561 1.108 6.494 1.00 0.85 C ATOM 1053 C LYS A 102 13.251 0.010 5.656 1.00 0.79 C ATOM 1054 O LYS A 102 14.378 -0.381 5.990 1.00 1.68 O ATOM 1055 CB LYS A 102 11.008 1.103 6.377 1.00 1.88 C ATOM 1056 CG LYS A 102 10.274 0.069 7.262 1.00 2.59 C ATOM 1057 CD LYS A 102 10.552 -1.371 6.881 1.00 3.33 C ATOM 1058 CE LYS A 102 9.917 -2.358 7.848 1.00 4.31 C ATOM 1059 NZ LYS A 102 10.467 -2.237 9.216 1.00 4.85 N ATOM 0 H LYS A 102 13.142 2.977 7.171 1.00 1.04 H new ATOM 0 HA LYS A 102 12.790 0.834 7.524 1.00 0.85 H new ATOM 0 HB2 LYS A 102 10.639 2.097 6.630 1.00 1.88 H new ATOM 0 HB3 LYS A 102 10.741 0.919 5.336 1.00 1.88 H new ATOM 0 HG2 LYS A 102 10.565 0.223 8.301 1.00 2.59 H new ATOM 0 HG3 LYS A 102 9.201 0.250 7.202 1.00 2.59 H new ATOM 0 HD2 LYS A 102 10.175 -1.558 5.875 1.00 3.33 H new ATOM 0 HD3 LYS A 102 11.629 -1.535 6.853 1.00 3.33 H new ATOM 0 HE2 LYS A 102 8.840 -2.194 7.876 1.00 4.31 H new ATOM 0 HE3 LYS A 102 10.075 -3.373 7.484 1.00 4.31 H new ATOM 0 HZ1 LYS A 102 10.189 -3.068 9.777 1.00 4.85 H new ATOM 0 HZ2 LYS A 102 11.505 -2.182 9.169 1.00 4.85 H new ATOM 0 HZ3 LYS A 102 10.095 -1.376 9.665 1.00 4.85 H new ATOM 1073 N GLY A 103 12.625 -0.437 4.538 1.00 0.81 N ATOM 1074 CA GLY A 103 13.152 -1.565 3.819 1.00 1.93 C ATOM 1075 C GLY A 103 13.237 -2.757 4.735 1.00 2.25 C ATOM 1076 O GLY A 103 12.215 -3.266 5.145 1.00 2.66 O ATOM 0 H GLY A 103 11.778 -0.029 4.143 1.00 0.81 H new ATOM 0 HA2 GLY A 103 12.514 -1.795 2.966 1.00 1.93 H new ATOM 0 HA3 GLY A 103 14.139 -1.327 3.424 1.00 1.93 H new ATOM 1080 N ASN A 104 14.462 -3.164 5.038 1.00 2.63 N ATOM 1081 CA ASN A 104 14.831 -4.234 6.004 1.00 2.95 C ATOM 1082 C ASN A 104 16.158 -4.774 5.579 1.00 3.69 C ATOM 1083 O ASN A 104 17.181 -4.535 6.232 1.00 4.12 O ATOM 1084 CB ASN A 104 13.844 -5.450 6.055 1.00 3.02 C ATOM 1085 CG ASN A 104 13.015 -5.555 7.348 1.00 3.71 C ATOM 1086 OD1 ASN A 104 11.902 -5.033 7.439 1.00 4.38 O ATOM 1087 ND2 ASN A 104 13.541 -6.232 8.342 1.00 4.01 N ATOM 0 H ASN A 104 15.283 -2.744 4.602 1.00 2.63 H new ATOM 0 HA ASN A 104 14.820 -3.775 6.993 1.00 2.95 H new ATOM 0 HB2 ASN A 104 13.162 -5.382 5.207 1.00 3.02 H new ATOM 0 HB3 ASN A 104 14.416 -6.370 5.931 1.00 3.02 H new ATOM 0 HD21 ASN A 104 13.027 -6.336 9.217 1.00 4.01 H new ATOM 0 HD22 ASN A 104 14.464 -6.654 8.240 1.00 4.01 H new ATOM 1094 N TYR A 105 16.144 -5.420 4.416 1.00 4.27 N ATOM 1095 CA TYR A 105 17.266 -6.164 3.881 1.00 5.20 C ATOM 1096 C TYR A 105 17.639 -7.215 4.912 1.00 5.64 C ATOM 1097 O TYR A 105 18.746 -7.244 5.476 1.00 6.11 O ATOM 1098 CB TYR A 105 18.463 -5.276 3.494 1.00 5.97 C ATOM 1099 CG TYR A 105 19.359 -5.944 2.473 1.00 6.72 C ATOM 1100 CD1 TYR A 105 20.366 -6.828 2.845 1.00 7.31 C ATOM 1101 CD2 TYR A 105 19.164 -5.713 1.123 1.00 7.14 C ATOM 1102 CE1 TYR A 105 21.150 -7.452 1.896 1.00 8.24 C ATOM 1103 CE2 TYR A 105 19.939 -6.336 0.174 1.00 8.08 C ATOM 1104 CZ TYR A 105 20.929 -7.202 0.562 1.00 8.62 C ATOM 1105 OH TYR A 105 21.703 -7.832 -0.394 1.00 9.70 O ATOM 0 H TYR A 105 15.326 -5.437 3.807 1.00 4.27 H new ATOM 0 HA TYR A 105 16.973 -6.633 2.942 1.00 5.20 H new ATOM 0 HB2 TYR A 105 18.098 -4.331 3.092 1.00 5.97 H new ATOM 0 HB3 TYR A 105 19.043 -5.041 4.386 1.00 5.97 H new ATOM 0 HD1 TYR A 105 20.537 -7.029 3.892 1.00 7.31 H new ATOM 0 HD2 TYR A 105 18.388 -5.030 0.809 1.00 7.14 H new ATOM 0 HE1 TYR A 105 21.932 -8.132 2.199 1.00 8.24 H new ATOM 0 HE2 TYR A 105 19.769 -6.144 -0.875 1.00 8.08 H new ATOM 0 HH TYR A 105 21.417 -7.546 -1.287 1.00 9.70 H new ATOM 1115 N ASP A 106 16.662 -8.041 5.182 1.00 5.76 N ATOM 1116 CA ASP A 106 16.748 -9.069 6.197 1.00 6.37 C ATOM 1117 C ASP A 106 16.769 -10.434 5.514 1.00 7.20 C ATOM 1118 O ASP A 106 16.469 -11.475 6.096 1.00 7.66 O ATOM 1119 CB ASP A 106 15.547 -8.912 7.142 1.00 6.33 C ATOM 1120 CG ASP A 106 15.584 -9.807 8.356 1.00 6.96 C ATOM 1121 OD1 ASP A 106 16.569 -9.753 9.119 1.00 7.31 O ATOM 1122 OD2 ASP A 106 14.593 -10.528 8.601 1.00 7.36 O ATOM 0 H ASP A 106 15.766 -8.021 4.696 1.00 5.76 H new ATOM 0 HA ASP A 106 17.661 -8.979 6.786 1.00 6.37 H new ATOM 0 HB2 ASP A 106 15.494 -7.875 7.473 1.00 6.33 H new ATOM 0 HB3 ASP A 106 14.633 -9.116 6.584 1.00 6.33 H new ATOM 1127 N GLU A 107 17.114 -10.396 4.258 1.00 7.67 N ATOM 1128 CA GLU A 107 17.234 -11.570 3.445 1.00 8.69 C ATOM 1129 C GLU A 107 18.672 -12.023 3.456 1.00 9.33 C ATOM 1130 O GLU A 107 19.489 -11.464 2.697 1.00 9.71 O ATOM 1131 CB GLU A 107 16.780 -11.295 2.017 1.00 9.08 C ATOM 1132 CG GLU A 107 15.301 -11.000 1.872 1.00 9.64 C ATOM 1133 CD GLU A 107 14.912 -10.771 0.437 1.00 10.27 C ATOM 1134 OE1 GLU A 107 14.937 -11.729 -0.361 1.00 10.67 O ATOM 1135 OE2 GLU A 107 14.546 -9.635 0.077 1.00 10.54 O ATOM 1136 OXT GLU A 107 19.010 -12.909 4.260 1.00 9.65 O ATOM 0 H GLU A 107 17.324 -9.530 3.762 1.00 7.67 H new ATOM 0 HA GLU A 107 16.594 -12.353 3.851 1.00 8.69 H new ATOM 0 HB2 GLU A 107 17.346 -10.449 1.626 1.00 9.08 H new ATOM 0 HB3 GLU A 107 17.028 -12.158 1.398 1.00 9.08 H new ATOM 0 HG2 GLU A 107 14.724 -11.832 2.276 1.00 9.64 H new ATOM 0 HG3 GLU A 107 15.047 -10.119 2.462 1.00 9.64 H new TER 1143 GLU A 107 HETATM 1144 ZN ZN A 201 -7.245 0.672 -4.320 1.00 0.07 ZN HETATM 1145 ZN ZN A 202 10.254 0.521 -6.555 1.00 0.07 ZN