USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 180:sc=-0.00292 USER MOD Single : A 30 ASN : amide:sc= -0.124 K(o=-0.12,f=-5.4!) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= -0.0809 (180deg=-0.437) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0.915) USER MOD Single : A 41 MET CE :methyl 171:sc= -0.0103 (180deg=-0.0805) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.0246 (180deg=-0.154) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 48:sc= 0.227 USER MOD Single : A 54 THR OG1 : rot 47:sc= 0.0888 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= 0.0984 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -17:sc= 0.341 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 61:sc= 0.508 USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= -0.84 (180deg=-2.33!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.469) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc=-0.00503 (180deg=-0.123) USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 0.627 (180deg=-0.0868!) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -2.01! (180deg=-3.14!) USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.551) USER MOD Single : A 97 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.058) USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= 1.24 (180deg=1.13) USER MOD Single : A 106 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= 0.69 (180deg=0.239) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -98:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.210 12.877 -3.255 1.00 1.16 N ATOM 2 CA GLY A 22 -3.642 11.925 -2.209 1.00 1.05 C ATOM 3 C GLY A 22 -3.268 10.503 -2.556 1.00 0.87 C ATOM 4 O GLY A 22 -3.639 10.004 -3.620 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.186 12.199 -1.258 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.722 11.995 -2.077 1.00 1.05 H new ATOM 7 N LEU A 23 -2.538 9.847 -1.664 1.00 0.75 N ATOM 8 CA LEU A 23 -2.102 8.484 -1.908 1.00 0.62 C ATOM 9 C LEU A 23 -2.199 7.651 -0.636 1.00 0.51 C ATOM 10 O LEU A 23 -1.741 8.069 0.430 1.00 0.59 O ATOM 11 CB LEU A 23 -0.664 8.468 -2.423 1.00 0.75 C ATOM 12 CG LEU A 23 -0.196 7.130 -2.995 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.868 6.854 -4.329 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.316 7.111 -3.140 1.00 1.91 C ATOM 0 H LEU A 23 -2.238 10.236 -0.770 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.757 8.051 -2.664 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.562 9.231 -3.195 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.001 8.749 -1.607 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.482 6.340 -2.300 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.522 5.897 -4.720 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.949 6.820 -4.192 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.616 7.646 -5.034 1.00 1.78 H new ATOM 0 HD21 LEU A 23 1.630 6.151 -3.549 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.627 7.911 -3.812 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.777 7.258 -2.163 1.00 1.91 H new ATOM 26 N LEU A 24 -2.803 6.481 -0.758 1.00 0.40 N ATOM 27 CA LEU A 24 -2.896 5.541 0.348 1.00 0.39 C ATOM 28 C LEU A 24 -2.025 4.328 0.034 1.00 0.38 C ATOM 29 O LEU A 24 -2.358 3.532 -0.838 1.00 0.50 O ATOM 30 CB LEU A 24 -4.349 5.099 0.555 1.00 0.44 C ATOM 31 CG LEU A 24 -4.774 4.810 2.003 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.732 3.988 2.744 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.058 6.108 2.743 1.00 1.24 C ATOM 0 H LEU A 24 -3.240 6.157 -1.620 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.551 6.022 1.263 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -5.003 5.874 0.155 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.521 4.200 -0.038 1.00 0.44 H new ATOM 0 HG LEU A 24 -5.689 4.219 1.966 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.071 3.805 3.764 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.589 3.036 2.233 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -2.788 4.533 2.767 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.358 5.885 3.767 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -4.159 6.725 2.754 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.861 6.646 2.239 1.00 1.24 H new ATOM 45 N VAL A 25 -0.915 4.196 0.737 1.00 0.37 N ATOM 46 CA VAL A 25 0.033 3.121 0.467 1.00 0.40 C ATOM 47 C VAL A 25 -0.139 1.968 1.456 1.00 0.42 C ATOM 48 O VAL A 25 0.238 2.073 2.621 1.00 0.56 O ATOM 49 CB VAL A 25 1.491 3.624 0.535 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.458 2.543 0.069 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.664 4.892 -0.289 1.00 0.84 C ATOM 0 H VAL A 25 -0.644 4.817 1.499 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.176 2.766 -0.542 1.00 0.40 H new ATOM 0 HB VAL A 25 1.720 3.860 1.574 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.479 2.920 0.125 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.359 1.666 0.708 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.229 2.269 -0.961 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.699 5.228 -0.226 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.411 4.687 -1.329 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.006 5.670 0.098 1.00 0.84 H new ATOM 61 N LEU A 26 -0.721 0.875 0.996 1.00 0.46 N ATOM 62 CA LEU A 26 -0.816 -0.330 1.811 1.00 0.57 C ATOM 63 C LEU A 26 0.272 -1.305 1.396 1.00 0.51 C ATOM 64 O LEU A 26 0.432 -1.594 0.212 1.00 0.58 O ATOM 65 CB LEU A 26 -2.187 -0.993 1.644 1.00 0.75 C ATOM 66 CG LEU A 26 -3.372 -0.053 1.814 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.672 -0.787 1.535 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.373 0.548 3.210 1.00 1.00 C ATOM 0 H LEU A 26 -1.134 0.793 0.067 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.690 -0.054 2.858 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.239 -1.446 0.654 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.275 -1.802 2.369 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.282 0.761 1.095 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.511 -0.102 1.661 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.663 -1.167 0.513 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.776 -1.620 2.231 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.226 1.218 3.317 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.443 -0.250 3.949 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.451 1.107 3.366 1.00 1.00 H new ATOM 80 N ILE A 27 1.024 -1.808 2.356 1.00 0.50 N ATOM 81 CA ILE A 27 2.104 -2.728 2.053 1.00 0.49 C ATOM 82 C ILE A 27 2.244 -3.781 3.147 1.00 0.51 C ATOM 83 O ILE A 27 2.533 -3.466 4.301 1.00 0.72 O ATOM 84 CB ILE A 27 3.448 -1.977 1.834 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.620 -2.966 1.764 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.676 -0.935 2.922 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.957 -2.310 1.488 1.00 0.96 C ATOM 0 H ILE A 27 0.908 -1.597 3.347 1.00 0.50 H new ATOM 0 HA ILE A 27 1.853 -3.234 1.121 1.00 0.49 H new ATOM 0 HB ILE A 27 3.390 -1.454 0.879 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.681 -3.511 2.706 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.418 -3.700 0.984 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.623 -0.425 2.745 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.864 -0.208 2.906 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.705 -1.425 3.895 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.736 -3.072 1.453 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.916 -1.789 0.532 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.183 -1.597 2.281 1.00 0.96 H new ATOM 99 N TRP A 28 2.004 -5.031 2.783 1.00 0.45 N ATOM 100 CA TRP A 28 2.158 -6.131 3.716 1.00 0.48 C ATOM 101 C TRP A 28 3.474 -6.843 3.448 1.00 0.48 C ATOM 102 O TRP A 28 3.610 -7.596 2.480 1.00 0.49 O ATOM 103 CB TRP A 28 0.991 -7.120 3.613 1.00 0.56 C ATOM 104 CG TRP A 28 0.969 -8.137 4.720 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.273 -8.051 5.889 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.678 -9.384 4.770 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.503 -9.165 6.660 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.361 -9.997 5.995 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.548 -10.043 3.898 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.884 -11.232 6.369 1.00 2.26 C ATOM 111 CZ3 TRP A 28 3.065 -11.268 4.270 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.733 -11.851 5.497 1.00 2.06 C ATOM 0 H TRP A 28 1.702 -5.307 1.849 1.00 0.45 H new ATOM 0 HA TRP A 28 2.160 -5.726 4.728 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.053 -6.565 3.621 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.047 -7.638 2.655 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.366 -7.227 6.169 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.099 -9.343 7.580 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.812 -9.601 2.948 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.627 -11.684 7.315 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.738 -11.785 3.602 1.00 1.61 H new ATOM 0 HH2 TRP A 28 3.156 -12.809 5.760 1.00 2.06 H new ATOM 123 N SER A 29 4.465 -6.528 4.254 1.00 0.50 N ATOM 124 CA SER A 29 5.736 -7.218 4.208 1.00 0.54 C ATOM 125 C SER A 29 6.288 -7.358 5.616 1.00 0.60 C ATOM 126 O SER A 29 6.206 -6.415 6.400 1.00 0.87 O ATOM 127 CB SER A 29 6.717 -6.446 3.324 1.00 0.57 C ATOM 128 OG SER A 29 6.160 -6.215 2.042 1.00 1.29 O ATOM 0 H SER A 29 4.413 -5.790 4.956 1.00 0.50 H new ATOM 0 HA SER A 29 5.595 -8.212 3.782 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.967 -5.495 3.794 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.646 -7.008 3.227 1.00 0.57 H new ATOM 0 HG SER A 29 6.801 -5.719 1.491 1.00 1.29 H new ATOM 134 N ASN A 30 6.819 -8.518 5.958 1.00 0.65 N ATOM 135 CA ASN A 30 7.521 -8.653 7.222 1.00 0.69 C ATOM 136 C ASN A 30 9.012 -8.803 6.955 1.00 0.68 C ATOM 137 O ASN A 30 9.596 -9.878 7.083 1.00 0.75 O ATOM 138 CB ASN A 30 6.973 -9.837 8.045 1.00 0.81 C ATOM 139 CG ASN A 30 7.039 -11.177 7.327 1.00 1.55 C ATOM 140 OD1 ASN A 30 6.947 -11.256 6.102 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.197 -12.244 8.092 1.00 2.23 N ATOM 0 H ASN A 30 6.780 -9.365 5.391 1.00 0.65 H new ATOM 0 HA ASN A 30 7.357 -7.755 7.817 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.534 -9.908 8.977 1.00 0.81 H new ATOM 0 HB3 ASN A 30 5.937 -9.631 8.312 1.00 0.81 H new ATOM 0 HD21 ASN A 30 7.246 -13.171 7.670 1.00 2.23 H new ATOM 0 HD22 ASN A 30 7.270 -12.140 9.104 1.00 2.23 H new ATOM 148 N ASP A 31 9.612 -7.693 6.561 1.00 0.63 N ATOM 149 CA ASP A 31 11.042 -7.613 6.319 1.00 0.64 C ATOM 150 C ASP A 31 11.669 -6.641 7.310 1.00 0.65 C ATOM 151 O ASP A 31 10.952 -5.955 8.037 1.00 0.78 O ATOM 152 CB ASP A 31 11.314 -7.175 4.877 1.00 0.67 C ATOM 153 CG ASP A 31 12.772 -7.315 4.470 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.170 -8.415 4.039 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.525 -6.321 4.572 1.00 1.13 O ATOM 0 H ASP A 31 9.117 -6.816 6.399 1.00 0.63 H new ATOM 0 HA ASP A 31 11.489 -8.597 6.460 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.697 -7.768 4.202 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.009 -6.136 4.757 1.00 0.67 H new ATOM 160 N LYS A 32 12.984 -6.580 7.361 1.00 0.69 N ATOM 161 CA LYS A 32 13.651 -5.601 8.201 1.00 0.77 C ATOM 162 C LYS A 32 13.687 -4.230 7.516 1.00 0.71 C ATOM 163 O LYS A 32 12.998 -3.297 7.934 1.00 0.77 O ATOM 164 CB LYS A 32 15.069 -6.061 8.540 1.00 0.97 C ATOM 165 CG LYS A 32 15.146 -7.366 9.331 1.00 1.52 C ATOM 166 CD LYS A 32 14.621 -7.214 10.755 1.00 2.06 C ATOM 167 CE LYS A 32 13.138 -7.548 10.868 1.00 2.28 C ATOM 168 NZ LYS A 32 12.864 -8.978 10.571 1.00 3.05 N ATOM 0 H LYS A 32 13.610 -7.191 6.836 1.00 0.69 H new ATOM 0 HA LYS A 32 13.084 -5.508 9.127 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.629 -6.181 7.612 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.564 -5.276 9.112 1.00 0.97 H new ATOM 0 HG2 LYS A 32 14.571 -8.135 8.815 1.00 1.52 H new ATOM 0 HG3 LYS A 32 16.180 -7.708 9.362 1.00 1.52 H new ATOM 0 HD2 LYS A 32 15.189 -7.865 11.420 1.00 2.06 H new ATOM 0 HD3 LYS A 32 14.787 -6.191 11.093 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.789 -7.314 11.874 1.00 2.28 H new ATOM 0 HE3 LYS A 32 12.572 -6.920 10.180 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.959 -9.255 11.003 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.812 -9.115 9.541 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 13.628 -9.566 10.961 1.00 3.05 H new ATOM 182 N LYS A 33 14.459 -4.120 6.441 1.00 0.71 N ATOM 183 CA LYS A 33 14.708 -2.821 5.820 1.00 0.75 C ATOM 184 C LYS A 33 13.682 -2.491 4.735 1.00 0.64 C ATOM 185 O LYS A 33 13.506 -1.324 4.390 1.00 0.63 O ATOM 186 CB LYS A 33 16.125 -2.752 5.237 1.00 0.94 C ATOM 187 CG LYS A 33 16.355 -3.671 4.048 1.00 1.55 C ATOM 188 CD LYS A 33 17.784 -3.574 3.532 1.00 2.09 C ATOM 189 CE LYS A 33 18.098 -2.185 2.993 1.00 2.72 C ATOM 190 NZ LYS A 33 19.509 -2.070 2.539 1.00 3.16 N ATOM 0 H LYS A 33 14.920 -4.906 5.983 1.00 0.71 H new ATOM 0 HA LYS A 33 14.610 -2.075 6.609 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.331 -1.726 4.934 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.841 -3.003 6.020 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.141 -4.700 4.336 1.00 1.55 H new ATOM 0 HG3 LYS A 33 15.661 -3.413 3.248 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.478 -3.817 4.336 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.937 -4.312 2.745 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.430 -1.959 2.162 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.905 -1.443 3.768 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.681 -1.109 2.180 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 20.147 -2.260 3.338 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.687 -2.760 1.782 1.00 3.16 H new ATOM 204 N LEU A 34 13.012 -3.511 4.199 1.00 0.62 N ATOM 205 CA LEU A 34 12.013 -3.298 3.149 1.00 0.61 C ATOM 206 C LEU A 34 10.884 -2.424 3.690 1.00 0.54 C ATOM 207 O LEU A 34 10.367 -1.552 2.992 1.00 0.61 O ATOM 208 CB LEU A 34 11.480 -4.653 2.646 1.00 0.66 C ATOM 209 CG LEU A 34 10.831 -4.681 1.240 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.403 -4.157 1.275 1.00 1.22 C ATOM 211 CD2 LEU A 34 11.663 -3.884 0.246 1.00 1.59 C ATOM 0 H LEU A 34 13.140 -4.486 4.471 1.00 0.62 H new ATOM 0 HA LEU A 34 12.471 -2.784 2.304 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.306 -5.364 2.651 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.745 -5.014 3.365 1.00 0.66 H new ATOM 0 HG LEU A 34 10.799 -5.721 0.914 1.00 0.80 H new ATOM 0 HD11 LEU A 34 8.978 -4.191 0.272 1.00 1.22 H new ATOM 0 HD12 LEU A 34 8.805 -4.776 1.943 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.402 -3.128 1.635 1.00 1.22 H new ATOM 0 HD21 LEU A 34 11.189 -3.917 -0.735 1.00 1.59 H new ATOM 0 HD22 LEU A 34 11.735 -2.849 0.579 1.00 1.59 H new ATOM 0 HD23 LEU A 34 12.662 -4.314 0.180 1.00 1.59 H new ATOM 223 N ILE A 35 10.532 -2.643 4.952 1.00 0.48 N ATOM 224 CA ILE A 35 9.523 -1.828 5.616 1.00 0.49 C ATOM 225 C ILE A 35 10.088 -0.445 5.926 1.00 0.48 C ATOM 226 O ILE A 35 9.428 0.572 5.709 1.00 0.53 O ATOM 227 CB ILE A 35 9.045 -2.472 6.933 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.490 -3.874 6.682 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.988 -1.600 7.599 1.00 0.64 C ATOM 230 CD1 ILE A 35 8.131 -4.604 7.957 1.00 1.01 C ATOM 0 H ILE A 35 10.931 -3.378 5.535 1.00 0.48 H new ATOM 0 HA ILE A 35 8.674 -1.748 4.937 1.00 0.49 H new ATOM 0 HB ILE A 35 9.903 -2.556 7.600 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.605 -3.801 6.050 1.00 0.61 H new ATOM 0 HG13 ILE A 35 9.228 -4.458 6.131 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.661 -2.069 8.527 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.410 -0.619 7.817 1.00 0.64 H new ATOM 0 HG23 ILE A 35 7.135 -1.487 6.930 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.743 -5.593 7.713 1.00 1.01 H new ATOM 0 HD12 ILE A 35 9.019 -4.706 8.580 1.00 1.01 H new ATOM 0 HD13 ILE A 35 7.372 -4.039 8.498 1.00 1.01 H new ATOM 242 N GLU A 36 11.320 -0.422 6.425 1.00 0.50 N ATOM 243 CA GLU A 36 11.969 0.821 6.822 1.00 0.53 C ATOM 244 C GLU A 36 12.036 1.809 5.661 1.00 0.48 C ATOM 245 O GLU A 36 11.555 2.938 5.773 1.00 0.51 O ATOM 246 CB GLU A 36 13.374 0.541 7.358 1.00 0.66 C ATOM 247 CG GLU A 36 14.122 1.795 7.781 1.00 1.22 C ATOM 248 CD GLU A 36 15.434 1.494 8.470 1.00 1.73 C ATOM 249 OE1 GLU A 36 16.493 1.579 7.812 1.00 2.62 O ATOM 250 OE2 GLU A 36 15.413 1.182 9.678 1.00 2.01 O ATOM 0 H GLU A 36 11.891 -1.256 6.564 1.00 0.50 H new ATOM 0 HA GLU A 36 11.370 1.271 7.613 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.301 -0.134 8.211 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.951 0.025 6.591 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.312 2.412 6.903 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.491 2.379 8.451 1.00 1.22 H new ATOM 257 N GLU A 37 12.602 1.370 4.541 1.00 0.48 N ATOM 258 CA GLU A 37 12.785 2.240 3.383 1.00 0.51 C ATOM 259 C GLU A 37 11.451 2.667 2.780 1.00 0.44 C ATOM 260 O GLU A 37 11.379 3.677 2.079 1.00 0.48 O ATOM 261 CB GLU A 37 13.656 1.559 2.327 1.00 0.65 C ATOM 262 CG GLU A 37 15.140 1.560 2.672 1.00 0.80 C ATOM 263 CD GLU A 37 15.703 2.965 2.821 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.577 3.176 3.690 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.276 3.866 2.071 1.00 1.55 O ATOM 0 H GLU A 37 12.942 0.417 4.410 1.00 0.48 H new ATOM 0 HA GLU A 37 13.294 3.140 3.729 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.321 0.530 2.200 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.513 2.061 1.370 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.294 1.010 3.600 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.691 1.032 1.894 1.00 0.80 H new ATOM 272 N ALA A 38 10.404 1.907 3.059 1.00 0.40 N ATOM 273 CA ALA A 38 9.068 2.262 2.609 1.00 0.42 C ATOM 274 C ALA A 38 8.483 3.364 3.491 1.00 0.39 C ATOM 275 O ALA A 38 7.962 4.362 2.989 1.00 0.42 O ATOM 276 CB ALA A 38 8.162 1.039 2.608 1.00 0.50 C ATOM 0 H ALA A 38 10.454 1.041 3.595 1.00 0.40 H new ATOM 0 HA ALA A 38 9.136 2.638 1.588 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.166 1.324 2.268 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.572 0.283 1.938 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.098 0.632 3.617 1.00 0.50 H new ATOM 282 N ARG A 39 8.594 3.184 4.806 1.00 0.41 N ATOM 283 CA ARG A 39 8.048 4.141 5.768 1.00 0.50 C ATOM 284 C ARG A 39 8.683 5.515 5.606 1.00 0.46 C ATOM 285 O ARG A 39 7.982 6.513 5.450 1.00 0.52 O ATOM 286 CB ARG A 39 8.256 3.649 7.203 1.00 0.62 C ATOM 287 CG ARG A 39 7.539 2.349 7.521 1.00 1.18 C ATOM 288 CD ARG A 39 7.729 1.944 8.975 1.00 1.43 C ATOM 289 NE ARG A 39 9.144 1.823 9.333 1.00 1.88 N ATOM 290 CZ ARG A 39 9.639 0.878 10.135 1.00 2.58 C ATOM 291 NH1 ARG A 39 8.842 -0.050 10.655 1.00 2.84 N ATOM 292 NH2 ARG A 39 10.933 0.864 10.419 1.00 3.48 N ATOM 0 H ARG A 39 9.059 2.382 5.231 1.00 0.41 H new ATOM 0 HA ARG A 39 6.980 4.225 5.568 1.00 0.50 H new ATOM 0 HB2 ARG A 39 9.323 3.516 7.379 1.00 0.62 H new ATOM 0 HB3 ARG A 39 7.913 4.419 7.894 1.00 0.62 H new ATOM 0 HG2 ARG A 39 6.475 2.459 7.310 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.913 1.558 6.871 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.254 2.682 9.621 1.00 1.43 H new ATOM 0 HD3 ARG A 39 7.228 0.993 9.154 1.00 1.43 H new ATOM 0 HE ARG A 39 9.794 2.506 8.944 1.00 1.88 H new ATOM 0 HH11 ARG A 39 7.845 -0.043 10.442 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.228 -0.769 11.267 1.00 2.84 H new ATOM 0 HH21 ARG A 39 11.549 1.575 10.025 1.00 3.48 H new ATOM 0 HH22 ARG A 39 11.313 0.142 11.032 1.00 3.48 H new ATOM 306 N LYS A 40 10.012 5.556 5.626 1.00 0.45 N ATOM 307 CA LYS A 40 10.741 6.818 5.530 1.00 0.49 C ATOM 308 C LYS A 40 10.459 7.519 4.201 1.00 0.42 C ATOM 309 O LYS A 40 10.404 8.745 4.138 1.00 0.47 O ATOM 310 CB LYS A 40 12.248 6.578 5.706 1.00 0.62 C ATOM 311 CG LYS A 40 12.815 5.524 4.768 1.00 1.06 C ATOM 312 CD LYS A 40 14.240 5.136 5.136 1.00 1.58 C ATOM 313 CE LYS A 40 15.247 6.209 4.763 1.00 2.12 C ATOM 314 NZ LYS A 40 16.644 5.740 4.964 1.00 2.95 N ATOM 0 H LYS A 40 10.606 4.731 5.708 1.00 0.45 H new ATOM 0 HA LYS A 40 10.395 7.471 6.331 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.777 7.517 5.545 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.441 6.276 6.736 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.181 4.638 4.793 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.795 5.901 3.745 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.296 4.946 6.208 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.502 4.205 4.633 1.00 1.58 H new ATOM 0 HE2 LYS A 40 15.105 6.496 3.721 1.00 2.12 H new ATOM 0 HE3 LYS A 40 15.071 7.100 5.366 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 17.303 6.408 4.515 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.848 5.684 5.982 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.760 4.800 4.535 1.00 2.95 H new ATOM 328 N MET A 41 10.252 6.732 3.152 1.00 0.39 N ATOM 329 CA MET A 41 9.992 7.278 1.827 1.00 0.41 C ATOM 330 C MET A 41 8.618 7.936 1.784 1.00 0.42 C ATOM 331 O MET A 41 8.460 9.051 1.283 1.00 0.52 O ATOM 332 CB MET A 41 10.065 6.172 0.772 1.00 0.48 C ATOM 333 CG MET A 41 10.099 6.692 -0.653 1.00 0.69 C ATOM 334 SD MET A 41 11.630 7.566 -1.024 1.00 1.10 S ATOM 335 CE MET A 41 11.342 8.027 -2.728 1.00 1.55 C ATOM 0 H MET A 41 10.259 5.713 3.194 1.00 0.39 H new ATOM 0 HA MET A 41 10.753 8.028 1.611 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.955 5.569 0.951 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.205 5.513 0.889 1.00 0.48 H new ATOM 0 HG2 MET A 41 9.982 5.858 -1.345 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.253 7.360 -0.814 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.125 8.710 -3.057 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.353 7.134 -3.353 1.00 1.55 H new ATOM 0 HE3 MET A 41 10.372 8.518 -2.813 1.00 1.55 H new ATOM 345 N ALA A 42 7.630 7.240 2.327 1.00 0.40 N ATOM 346 CA ALA A 42 6.259 7.723 2.327 1.00 0.49 C ATOM 347 C ALA A 42 6.096 8.914 3.263 1.00 0.51 C ATOM 348 O ALA A 42 5.349 9.850 2.970 1.00 0.59 O ATOM 349 CB ALA A 42 5.310 6.602 2.720 1.00 0.58 C ATOM 0 H ALA A 42 7.755 6.333 2.776 1.00 0.40 H new ATOM 0 HA ALA A 42 6.014 8.056 1.318 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.286 6.975 2.717 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.400 5.782 2.007 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.563 6.244 3.718 1.00 0.58 H new ATOM 355 N GLU A 43 6.811 8.881 4.379 1.00 0.50 N ATOM 356 CA GLU A 43 6.731 9.942 5.374 1.00 0.60 C ATOM 357 C GLU A 43 7.284 11.250 4.805 1.00 0.62 C ATOM 358 O GLU A 43 6.825 12.337 5.165 1.00 0.73 O ATOM 359 CB GLU A 43 7.502 9.540 6.634 1.00 0.67 C ATOM 360 CG GLU A 43 7.170 10.383 7.854 1.00 0.97 C ATOM 361 CD GLU A 43 5.736 10.204 8.315 1.00 1.62 C ATOM 362 OE1 GLU A 43 4.852 10.935 7.821 1.00 2.16 O ATOM 363 OE2 GLU A 43 5.487 9.336 9.179 1.00 2.38 O ATOM 0 H GLU A 43 7.456 8.128 4.619 1.00 0.50 H new ATOM 0 HA GLU A 43 5.685 10.097 5.638 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.292 8.494 6.859 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.571 9.614 6.433 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.845 10.119 8.668 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.345 11.434 7.623 1.00 0.97 H new ATOM 370 N LYS A 44 8.256 11.137 3.902 1.00 0.58 N ATOM 371 CA LYS A 44 8.851 12.306 3.259 1.00 0.66 C ATOM 372 C LYS A 44 7.812 13.102 2.479 1.00 0.66 C ATOM 373 O LYS A 44 7.770 14.330 2.561 1.00 0.70 O ATOM 374 CB LYS A 44 9.986 11.893 2.320 1.00 0.76 C ATOM 375 CG LYS A 44 11.269 11.506 3.036 1.00 1.29 C ATOM 376 CD LYS A 44 12.371 11.127 2.056 1.00 1.69 C ATOM 377 CE LYS A 44 12.722 12.274 1.117 1.00 2.09 C ATOM 378 NZ LYS A 44 13.151 13.491 1.856 1.00 2.20 N ATOM 0 H LYS A 44 8.649 10.246 3.599 1.00 0.58 H new ATOM 0 HA LYS A 44 9.252 12.939 4.051 1.00 0.66 H new ATOM 0 HB2 LYS A 44 9.653 11.052 1.712 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.197 12.716 1.637 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.604 12.337 3.656 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.073 10.668 3.705 1.00 1.29 H new ATOM 0 HD2 LYS A 44 13.261 10.827 2.610 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.054 10.264 1.471 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.519 11.960 0.444 1.00 2.09 H new ATOM 0 HE3 LYS A 44 11.857 12.512 0.498 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 13.524 14.192 1.184 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 12.337 13.895 2.362 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.893 13.238 2.540 1.00 2.20 H new ATOM 392 N ALA A 45 6.971 12.402 1.732 1.00 0.67 N ATOM 393 CA ALA A 45 5.962 13.056 0.909 1.00 0.74 C ATOM 394 C ALA A 45 4.630 13.160 1.646 1.00 0.73 C ATOM 395 O ALA A 45 3.596 13.451 1.042 1.00 0.81 O ATOM 396 CB ALA A 45 5.792 12.315 -0.410 1.00 0.82 C ATOM 0 H ALA A 45 6.966 11.383 1.678 1.00 0.67 H new ATOM 0 HA ALA A 45 6.303 14.069 0.697 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.035 12.816 -1.014 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.740 12.309 -0.949 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.479 11.289 -0.214 1.00 0.82 H new ATOM 402 N ASN A 46 4.676 12.914 2.957 1.00 0.69 N ATOM 403 CA ASN A 46 3.501 13.016 3.828 1.00 0.72 C ATOM 404 C ASN A 46 2.388 12.081 3.370 1.00 0.67 C ATOM 405 O ASN A 46 1.213 12.442 3.374 1.00 0.84 O ATOM 406 CB ASN A 46 2.984 14.459 3.883 1.00 0.87 C ATOM 407 CG ASN A 46 3.980 15.412 4.512 1.00 1.46 C ATOM 408 OD1 ASN A 46 4.786 15.021 5.359 1.00 2.13 O ATOM 409 ND2 ASN A 46 3.932 16.672 4.107 1.00 2.13 N ATOM 0 H ASN A 46 5.528 12.639 3.445 1.00 0.69 H new ATOM 0 HA ASN A 46 3.811 12.716 4.829 1.00 0.72 H new ATOM 0 HB2 ASN A 46 2.752 14.797 2.873 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.053 14.486 4.450 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.577 17.358 4.498 1.00 2.13 H new ATOM 0 HD22 ASN A 46 3.250 16.956 3.404 1.00 2.13 H new ATOM 416 N LEU A 47 2.765 10.877 2.980 1.00 0.51 N ATOM 417 CA LEU A 47 1.809 9.905 2.475 1.00 0.51 C ATOM 418 C LEU A 47 1.287 9.030 3.604 1.00 0.46 C ATOM 419 O LEU A 47 1.958 8.852 4.624 1.00 0.56 O ATOM 420 CB LEU A 47 2.469 9.035 1.407 1.00 0.58 C ATOM 421 CG LEU A 47 3.158 9.811 0.287 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.916 8.866 -0.627 1.00 1.00 C ATOM 423 CD2 LEU A 47 2.142 10.621 -0.503 1.00 1.18 C ATOM 0 H LEU A 47 3.730 10.547 3.003 1.00 0.51 H new ATOM 0 HA LEU A 47 0.968 10.442 2.035 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.203 8.389 1.887 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.712 8.386 0.968 1.00 0.58 H new ATOM 0 HG LEU A 47 3.873 10.501 0.735 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.401 9.437 -1.419 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.671 8.331 -0.051 1.00 1.00 H new ATOM 0 HD13 LEU A 47 3.221 8.151 -1.068 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.651 11.168 -1.297 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.403 9.950 -0.940 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.643 11.327 0.161 1.00 1.18 H new ATOM 435 N TYR A 48 0.091 8.489 3.420 1.00 0.49 N ATOM 436 CA TYR A 48 -0.510 7.611 4.412 1.00 0.54 C ATOM 437 C TYR A 48 -0.227 6.161 4.046 1.00 0.46 C ATOM 438 O TYR A 48 -0.770 5.650 3.068 1.00 0.58 O ATOM 439 CB TYR A 48 -2.031 7.836 4.498 1.00 0.64 C ATOM 440 CG TYR A 48 -2.431 9.267 4.781 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.585 10.185 3.749 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.660 9.700 6.080 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.951 11.491 4.005 1.00 1.61 C ATOM 444 CE2 TYR A 48 -3.028 11.005 6.344 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.172 11.896 5.304 1.00 1.09 C ATOM 446 OH TYR A 48 -3.536 13.197 5.563 1.00 1.28 O ATOM 0 H TYR A 48 -0.483 8.644 2.591 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.074 7.839 5.385 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.487 7.522 3.559 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.438 7.195 5.280 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.415 9.871 2.730 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.548 9.004 6.899 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.064 12.192 3.191 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.202 11.325 7.361 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.654 13.318 6.528 1.00 1.28 H new ATOM 456 N LEU A 49 0.639 5.507 4.807 1.00 0.46 N ATOM 457 CA LEU A 49 0.940 4.107 4.551 1.00 0.46 C ATOM 458 C LEU A 49 0.596 3.259 5.762 1.00 0.50 C ATOM 459 O LEU A 49 0.792 3.672 6.906 1.00 0.61 O ATOM 460 CB LEU A 49 2.405 3.888 4.130 1.00 0.66 C ATOM 461 CG LEU A 49 3.435 3.696 5.261 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.722 3.087 4.720 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.746 5.013 5.957 1.00 1.35 C ATOM 0 H LEU A 49 1.139 5.917 5.596 1.00 0.46 H new ATOM 0 HA LEU A 49 0.319 3.794 3.712 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.445 3.012 3.483 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.717 4.742 3.529 1.00 0.66 H new ATOM 0 HG LEU A 49 2.995 3.015 5.990 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.435 2.960 5.535 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.506 2.117 4.273 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.148 3.748 3.965 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.475 4.843 6.749 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.154 5.719 5.234 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.832 5.422 6.387 1.00 1.35 H new ATOM 475 N LEU A 50 0.064 2.079 5.495 1.00 0.52 N ATOM 476 CA LEU A 50 -0.395 1.184 6.541 1.00 0.63 C ATOM 477 C LEU A 50 0.123 -0.230 6.298 1.00 0.69 C ATOM 478 O LEU A 50 -0.283 -0.896 5.343 1.00 0.69 O ATOM 479 CB LEU A 50 -1.924 1.206 6.599 1.00 0.77 C ATOM 480 CG LEU A 50 -2.525 2.577 6.929 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.029 2.563 6.753 1.00 1.24 C ATOM 482 CD2 LEU A 50 -2.169 2.994 8.349 1.00 1.48 C ATOM 0 H LEU A 50 -0.061 1.716 4.550 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.004 1.521 7.501 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.317 0.872 5.639 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.258 0.487 7.347 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.101 3.303 6.235 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.433 3.547 6.993 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.272 2.313 5.720 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -4.466 1.819 7.419 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -2.606 3.970 8.562 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -2.561 2.260 9.053 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.085 3.052 8.450 1.00 1.48 H new ATOM 494 N THR A 51 1.050 -0.672 7.139 1.00 0.85 N ATOM 495 CA THR A 51 1.568 -2.030 7.050 1.00 1.00 C ATOM 496 C THR A 51 0.710 -2.960 7.895 1.00 1.38 C ATOM 497 O THR A 51 0.882 -3.046 9.112 1.00 2.04 O ATOM 498 CB THR A 51 3.037 -2.105 7.524 1.00 1.42 C ATOM 499 OG1 THR A 51 3.199 -1.385 8.750 1.00 1.86 O ATOM 500 CG2 THR A 51 3.985 -1.541 6.478 1.00 2.07 C ATOM 0 H THR A 51 1.457 -0.111 7.888 1.00 0.85 H new ATOM 0 HA THR A 51 1.533 -2.339 6.005 1.00 1.00 H new ATOM 0 HB THR A 51 3.280 -3.156 7.681 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.490 -1.642 9.376 1.00 1.86 H new ATOM 0 HG21 THR A 51 5.010 -1.608 6.842 1.00 2.07 H new ATOM 0 HG22 THR A 51 3.890 -2.112 5.555 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.736 -0.497 6.286 1.00 2.07 H new ATOM 508 N LEU A 52 -0.214 -3.651 7.244 1.00 1.17 N ATOM 509 CA LEU A 52 -1.213 -4.440 7.946 1.00 1.66 C ATOM 510 C LEU A 52 -1.976 -5.308 6.941 1.00 1.10 C ATOM 511 O LEU A 52 -2.109 -4.916 5.784 1.00 1.25 O ATOM 512 CB LEU A 52 -2.143 -3.468 8.704 1.00 2.63 C ATOM 513 CG LEU A 52 -3.156 -4.070 9.683 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.390 -4.550 8.944 1.00 3.41 C ATOM 515 CD2 LEU A 52 -2.530 -5.194 10.497 1.00 3.43 C ATOM 0 H LEU A 52 -0.292 -3.681 6.227 1.00 1.17 H new ATOM 0 HA LEU A 52 -0.753 -5.114 8.668 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.517 -2.768 9.257 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.695 -2.887 7.965 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.461 -3.290 10.380 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -5.098 -4.974 9.656 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -4.854 -3.710 8.427 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -4.106 -5.311 8.217 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.272 -5.603 11.183 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -2.184 -5.980 9.826 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -1.685 -4.805 11.065 1.00 3.43 H new ATOM 527 N GLU A 53 -2.423 -6.496 7.366 1.00 1.35 N ATOM 528 CA GLU A 53 -3.151 -7.419 6.483 1.00 1.60 C ATOM 529 C GLU A 53 -4.378 -6.743 5.850 1.00 1.84 C ATOM 530 O GLU A 53 -4.299 -6.224 4.736 1.00 2.34 O ATOM 531 CB GLU A 53 -3.575 -8.677 7.250 1.00 2.04 C ATOM 532 CG GLU A 53 -2.476 -9.262 8.123 1.00 2.24 C ATOM 533 CD GLU A 53 -2.956 -10.432 8.954 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.481 -11.565 8.729 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.815 -10.225 9.833 1.00 2.75 O ATOM 0 H GLU A 53 -2.294 -6.842 8.317 1.00 1.35 H new ATOM 0 HA GLU A 53 -2.474 -7.707 5.679 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -4.435 -8.437 7.876 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -3.901 -9.434 6.537 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -1.648 -9.585 7.492 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -2.090 -8.486 8.784 1.00 2.24 H new ATOM 542 N THR A 54 -5.517 -6.758 6.542 1.00 1.76 N ATOM 543 CA THR A 54 -6.679 -6.034 6.061 1.00 1.96 C ATOM 544 C THR A 54 -6.979 -4.858 6.983 1.00 1.44 C ATOM 545 O THR A 54 -7.512 -5.021 8.083 1.00 1.41 O ATOM 546 CB THR A 54 -7.905 -6.962 5.955 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.010 -7.780 7.129 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.807 -7.848 4.721 1.00 3.30 C ATOM 0 H THR A 54 -5.653 -7.256 7.422 1.00 1.76 H new ATOM 0 HA THR A 54 -6.459 -5.655 5.063 1.00 1.96 H new ATOM 0 HB THR A 54 -8.795 -6.339 5.868 1.00 2.58 H new ATOM 0 HG1 THR A 54 -7.906 -7.221 7.927 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.683 -8.494 4.667 1.00 3.30 H new ATOM 0 HG22 THR A 54 -7.760 -7.224 3.828 1.00 3.30 H new ATOM 0 HG23 THR A 54 -6.907 -8.460 4.783 1.00 3.30 H new ATOM 556 N ASP A 55 -6.620 -3.674 6.521 1.00 1.58 N ATOM 557 CA ASP A 55 -6.757 -2.450 7.311 1.00 1.57 C ATOM 558 C ASP A 55 -8.067 -1.739 6.987 1.00 1.40 C ATOM 559 O ASP A 55 -8.414 -0.742 7.610 1.00 1.25 O ATOM 560 CB ASP A 55 -5.557 -1.522 7.089 1.00 2.38 C ATOM 561 CG ASP A 55 -5.377 -0.527 8.219 1.00 3.04 C ATOM 562 OD1 ASP A 55 -4.560 -0.803 9.123 1.00 3.66 O ATOM 563 OD2 ASP A 55 -6.047 0.524 8.210 1.00 3.51 O ATOM 0 H ASP A 55 -6.226 -3.527 5.592 1.00 1.58 H new ATOM 0 HA ASP A 55 -6.778 -2.726 8.365 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -4.652 -2.121 6.989 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -5.688 -0.982 6.151 1.00 2.38 H new ATOM 568 N ASP A 56 -8.765 -2.267 5.980 1.00 1.62 N ATOM 569 CA ASP A 56 -9.946 -1.638 5.360 1.00 1.72 C ATOM 570 C ASP A 56 -10.919 -0.969 6.343 1.00 1.47 C ATOM 571 O ASP A 56 -11.632 -0.041 5.957 1.00 1.48 O ATOM 572 CB ASP A 56 -10.698 -2.666 4.510 1.00 2.15 C ATOM 573 CG ASP A 56 -11.233 -3.839 5.312 1.00 2.43 C ATOM 574 OD1 ASP A 56 -10.422 -4.620 5.853 1.00 2.98 O ATOM 575 OD2 ASP A 56 -12.466 -4.013 5.368 1.00 2.88 O ATOM 0 H ASP A 56 -8.524 -3.164 5.559 1.00 1.62 H new ATOM 0 HA ASP A 56 -9.551 -0.830 4.744 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -11.528 -2.171 4.006 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -10.032 -3.041 3.733 1.00 2.15 H new ATOM 580 N LYS A 57 -10.972 -1.430 7.586 1.00 1.39 N ATOM 581 CA LYS A 57 -11.805 -0.779 8.592 1.00 1.42 C ATOM 582 C LYS A 57 -11.282 0.628 8.900 1.00 1.20 C ATOM 583 O LYS A 57 -12.007 1.615 8.760 1.00 1.27 O ATOM 584 CB LYS A 57 -11.853 -1.614 9.874 1.00 1.57 C ATOM 585 CG LYS A 57 -12.771 -1.044 10.947 1.00 1.98 C ATOM 586 CD LYS A 57 -14.218 -1.005 10.482 1.00 2.71 C ATOM 587 CE LYS A 57 -15.129 -0.394 11.535 1.00 3.40 C ATOM 588 NZ LYS A 57 -16.549 -0.359 11.094 1.00 4.03 N ATOM 0 H LYS A 57 -10.455 -2.243 7.921 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.815 -0.695 8.191 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.182 -2.623 9.627 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.845 -1.698 10.279 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -12.695 -1.649 11.851 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -12.445 -0.037 11.209 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -14.289 -0.428 9.560 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -14.554 -2.016 10.252 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -15.051 -0.968 12.458 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -14.795 0.619 11.760 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -17.134 0.065 11.842 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -16.629 0.210 10.227 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -16.878 -1.327 10.904 1.00 4.03 H new ATOM 602 N LYS A 58 -10.014 0.716 9.285 1.00 1.07 N ATOM 603 CA LYS A 58 -9.407 1.995 9.642 1.00 1.04 C ATOM 604 C LYS A 58 -9.146 2.827 8.395 1.00 0.88 C ATOM 605 O LYS A 58 -9.311 4.050 8.409 1.00 0.87 O ATOM 606 CB LYS A 58 -8.096 1.779 10.397 1.00 1.18 C ATOM 607 CG LYS A 58 -8.263 1.133 11.764 1.00 1.64 C ATOM 608 CD LYS A 58 -6.915 0.802 12.386 1.00 2.25 C ATOM 609 CE LYS A 58 -6.156 -0.212 11.545 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.813 -0.517 12.097 1.00 2.99 N ATOM 0 H LYS A 58 -9.385 -0.083 9.358 1.00 1.07 H new ATOM 0 HA LYS A 58 -10.103 2.529 10.289 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.439 1.155 9.791 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -7.598 2.741 10.520 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -8.814 1.805 12.422 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -8.856 0.223 11.669 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -6.324 1.712 12.485 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -7.062 0.407 13.391 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -6.736 -1.132 11.480 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -6.050 0.170 10.530 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -4.162 -0.748 11.319 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -4.454 0.311 12.614 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.880 -1.328 12.745 1.00 2.99 H new ATOM 624 N ILE A 59 -8.729 2.151 7.326 1.00 0.83 N ATOM 625 CA ILE A 59 -8.532 2.787 6.026 1.00 0.80 C ATOM 626 C ILE A 59 -9.770 3.573 5.613 1.00 0.74 C ATOM 627 O ILE A 59 -9.664 4.707 5.147 1.00 0.78 O ATOM 628 CB ILE A 59 -8.214 1.742 4.931 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.780 1.228 5.059 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.435 2.323 3.537 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.527 -0.003 4.222 1.00 1.33 C ATOM 0 H ILE A 59 -8.519 1.153 7.336 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.685 3.466 6.128 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.897 0.905 5.072 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.088 2.015 4.759 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.571 1.001 6.104 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.204 1.567 2.787 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.475 2.632 3.432 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.784 3.186 3.395 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.494 -0.325 4.351 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.198 -0.802 4.538 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.707 0.228 3.172 1.00 1.33 H new ATOM 643 N GLU A 60 -10.941 2.966 5.800 1.00 0.77 N ATOM 644 CA GLU A 60 -12.198 3.590 5.410 1.00 0.87 C ATOM 645 C GLU A 60 -12.371 4.933 6.106 1.00 0.85 C ATOM 646 O GLU A 60 -12.803 5.903 5.492 1.00 0.94 O ATOM 647 CB GLU A 60 -13.381 2.670 5.731 1.00 1.04 C ATOM 648 CG GLU A 60 -14.711 3.174 5.191 1.00 1.32 C ATOM 649 CD GLU A 60 -15.844 2.197 5.421 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.911 1.178 4.697 1.00 1.96 O ATOM 651 OE2 GLU A 60 -16.678 2.442 6.319 1.00 2.01 O ATOM 0 H GLU A 60 -11.042 2.042 6.220 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.172 3.759 4.333 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.183 1.681 5.319 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.458 2.555 6.812 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.954 4.124 5.666 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.615 3.367 4.123 1.00 1.32 H new ATOM 658 N ASP A 61 -12.005 4.991 7.382 1.00 0.82 N ATOM 659 CA ASP A 61 -12.103 6.234 8.143 1.00 0.88 C ATOM 660 C ASP A 61 -11.158 7.288 7.582 1.00 0.79 C ATOM 661 O ASP A 61 -11.555 8.428 7.353 1.00 0.83 O ATOM 662 CB ASP A 61 -11.794 6.003 9.626 1.00 0.99 C ATOM 663 CG ASP A 61 -12.817 5.120 10.307 1.00 1.55 C ATOM 664 OD1 ASP A 61 -14.018 5.463 10.287 1.00 2.27 O ATOM 665 OD2 ASP A 61 -12.431 4.077 10.871 1.00 2.05 O ATOM 0 H ASP A 61 -11.640 4.198 7.909 1.00 0.82 H new ATOM 0 HA ASP A 61 -13.129 6.591 8.053 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.808 5.548 9.721 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -11.752 6.964 10.138 1.00 0.99 H new ATOM 670 N ILE A 62 -9.911 6.894 7.346 1.00 0.72 N ATOM 671 CA ILE A 62 -8.894 7.811 6.835 1.00 0.69 C ATOM 672 C ILE A 62 -9.246 8.293 5.429 1.00 0.68 C ATOM 673 O ILE A 62 -9.374 9.492 5.185 1.00 0.73 O ATOM 674 CB ILE A 62 -7.500 7.145 6.801 1.00 0.73 C ATOM 675 CG1 ILE A 62 -7.121 6.632 8.193 1.00 0.81 C ATOM 676 CG2 ILE A 62 -6.449 8.123 6.287 1.00 0.77 C ATOM 677 CD1 ILE A 62 -5.813 5.871 8.228 1.00 0.93 C ATOM 0 H ILE A 62 -9.578 5.942 7.501 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.866 8.663 7.515 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.540 6.297 6.118 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -7.057 7.478 8.877 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.917 5.985 8.561 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -5.475 7.635 6.271 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.712 8.442 5.279 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -6.408 8.992 6.944 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -5.612 5.540 9.247 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.879 5.004 7.571 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -5.005 6.521 7.892 1.00 0.93 H new ATOM 689 N LEU A 63 -9.412 7.339 4.522 1.00 0.68 N ATOM 690 CA LEU A 63 -9.718 7.627 3.115 1.00 0.76 C ATOM 691 C LEU A 63 -10.967 8.502 2.979 1.00 0.84 C ATOM 692 O LEU A 63 -10.951 9.511 2.275 1.00 0.94 O ATOM 693 CB LEU A 63 -9.896 6.311 2.324 1.00 0.85 C ATOM 694 CG LEU A 63 -10.727 6.416 1.039 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.943 7.118 -0.058 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.189 5.039 0.574 1.00 1.89 C ATOM 0 H LEU A 63 -9.340 6.344 4.734 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.877 8.181 2.699 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.909 5.927 2.066 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.364 5.575 2.978 1.00 0.85 H new ATOM 0 HG LEU A 63 -11.611 7.013 1.260 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -10.554 7.180 -0.959 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -9.678 8.123 0.271 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.035 6.555 -0.273 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -11.776 5.141 -0.339 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -10.320 4.411 0.378 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -11.801 4.580 1.350 1.00 1.89 H new ATOM 708 N LYS A 64 -12.035 8.130 3.671 1.00 0.89 N ATOM 709 CA LYS A 64 -13.301 8.848 3.566 1.00 1.05 C ATOM 710 C LYS A 64 -13.194 10.235 4.198 1.00 1.03 C ATOM 711 O LYS A 64 -13.919 11.160 3.825 1.00 1.13 O ATOM 712 CB LYS A 64 -14.413 8.039 4.236 1.00 1.22 C ATOM 713 CG LYS A 64 -15.805 8.615 4.057 1.00 1.64 C ATOM 714 CD LYS A 64 -16.848 7.718 4.701 1.00 2.17 C ATOM 715 CE LYS A 64 -18.249 8.265 4.520 1.00 2.87 C ATOM 716 NZ LYS A 64 -19.270 7.390 5.150 1.00 3.41 N ATOM 0 H LYS A 64 -12.052 7.336 4.311 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.542 8.977 2.511 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -14.399 7.025 3.836 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -14.199 7.964 5.302 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -15.851 9.610 4.500 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -16.022 8.728 2.995 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -16.788 6.720 4.266 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.632 7.615 5.765 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -18.308 9.263 4.954 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -18.464 8.367 3.456 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -20.215 7.799 5.004 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -19.231 6.445 4.718 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -19.080 7.313 6.170 1.00 3.41 H new ATOM 730 N SER A 65 -12.267 10.380 5.136 1.00 0.97 N ATOM 731 CA SER A 65 -12.077 11.648 5.832 1.00 1.06 C ATOM 732 C SER A 65 -11.135 12.556 5.045 1.00 1.03 C ATOM 733 O SER A 65 -11.001 13.741 5.354 1.00 1.13 O ATOM 734 CB SER A 65 -11.537 11.412 7.251 1.00 1.18 C ATOM 735 OG SER A 65 -11.283 12.633 7.930 1.00 1.65 O ATOM 0 H SER A 65 -11.635 9.637 5.433 1.00 0.97 H new ATOM 0 HA SER A 65 -13.045 12.142 5.912 1.00 1.06 H new ATOM 0 HB2 SER A 65 -12.256 10.823 7.820 1.00 1.18 H new ATOM 0 HB3 SER A 65 -10.618 10.828 7.197 1.00 1.18 H new ATOM 0 HG SER A 65 -11.243 13.366 7.281 1.00 1.65 H new ATOM 741 N LEU A 66 -10.484 12.000 4.032 1.00 0.97 N ATOM 742 CA LEU A 66 -9.590 12.781 3.184 1.00 1.05 C ATOM 743 C LEU A 66 -10.381 13.644 2.200 1.00 1.20 C ATOM 744 O LEU A 66 -10.015 14.793 1.943 1.00 1.55 O ATOM 745 CB LEU A 66 -8.601 11.873 2.440 1.00 1.00 C ATOM 746 CG LEU A 66 -7.394 11.402 3.274 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.606 10.306 2.560 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.483 12.578 3.581 1.00 1.38 C ATOM 0 H LEU A 66 -10.557 11.015 3.777 1.00 0.97 H new ATOM 0 HA LEU A 66 -9.016 13.446 3.830 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -9.138 10.996 2.078 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.232 12.405 1.563 1.00 1.00 H new ATOM 0 HG LEU A 66 -7.778 10.984 4.205 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -5.763 10.001 3.180 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -7.255 9.448 2.382 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.237 10.685 1.607 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.633 12.235 4.171 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.125 13.014 2.648 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.036 13.329 4.144 1.00 1.38 H new ATOM 760 N GLY A 67 -11.462 13.096 1.652 1.00 1.07 N ATOM 761 CA GLY A 67 -12.333 13.875 0.793 1.00 1.26 C ATOM 762 C GLY A 67 -12.408 13.317 -0.615 1.00 1.22 C ATOM 763 O GLY A 67 -13.227 12.439 -0.888 1.00 1.28 O ATOM 0 H GLY A 67 -11.749 12.127 1.788 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.334 13.902 1.224 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.975 14.904 0.754 1.00 1.26 H new ATOM 767 N PRO A 68 -11.567 13.820 -1.531 1.00 1.24 N ATOM 768 CA PRO A 68 -11.517 13.344 -2.922 1.00 1.29 C ATOM 769 C PRO A 68 -11.151 11.866 -3.002 1.00 1.15 C ATOM 770 O PRO A 68 -10.613 11.305 -2.048 1.00 0.99 O ATOM 771 CB PRO A 68 -10.410 14.198 -3.557 1.00 1.41 C ATOM 772 CG PRO A 68 -9.613 14.715 -2.411 1.00 1.56 C ATOM 773 CD PRO A 68 -10.587 14.888 -1.286 1.00 1.35 C ATOM 0 HA PRO A 68 -12.482 13.437 -3.421 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.792 13.605 -4.231 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.830 15.014 -4.145 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.820 14.018 -2.139 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -9.133 15.661 -2.663 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.105 14.779 -0.314 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -11.052 15.874 -1.302 1.00 1.35 H new ATOM 781 N PRO A 69 -11.451 11.211 -4.137 1.00 1.30 N ATOM 782 CA PRO A 69 -11.093 9.807 -4.350 1.00 1.26 C ATOM 783 C PRO A 69 -9.582 9.608 -4.315 1.00 1.05 C ATOM 784 O PRO A 69 -8.881 9.857 -5.300 1.00 1.17 O ATOM 785 CB PRO A 69 -11.652 9.490 -5.742 1.00 1.53 C ATOM 786 CG PRO A 69 -11.836 10.817 -6.398 1.00 1.89 C ATOM 787 CD PRO A 69 -12.161 11.779 -5.293 1.00 1.58 C ATOM 0 HA PRO A 69 -11.494 9.155 -3.574 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.965 8.862 -6.309 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.596 8.949 -5.674 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -10.932 11.120 -6.927 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -12.639 10.781 -7.134 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.816 12.787 -5.522 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.235 11.842 -5.116 1.00 1.58 H new ATOM 795 N VAL A 70 -9.091 9.168 -3.170 1.00 0.85 N ATOM 796 CA VAL A 70 -7.667 8.994 -2.958 1.00 0.67 C ATOM 797 C VAL A 70 -7.176 7.719 -3.629 1.00 0.60 C ATOM 798 O VAL A 70 -7.823 6.675 -3.550 1.00 0.66 O ATOM 799 CB VAL A 70 -7.342 8.960 -1.449 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.858 8.756 -1.206 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.819 10.240 -0.785 1.00 1.08 C ATOM 0 H VAL A 70 -9.666 8.922 -2.364 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.152 9.843 -3.406 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.868 8.113 -1.008 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.664 8.737 -0.134 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.543 7.811 -1.648 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.299 9.574 -1.661 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.585 10.207 0.279 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.318 11.094 -1.240 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.896 10.339 -0.917 1.00 1.08 H new ATOM 811 N LYS A 71 -6.033 7.813 -4.290 1.00 0.55 N ATOM 812 CA LYS A 71 -5.475 6.681 -5.006 1.00 0.54 C ATOM 813 C LYS A 71 -4.797 5.731 -4.039 1.00 0.43 C ATOM 814 O LYS A 71 -3.864 6.105 -3.330 1.00 0.41 O ATOM 815 CB LYS A 71 -4.477 7.149 -6.064 1.00 0.65 C ATOM 816 CG LYS A 71 -5.100 8.014 -7.142 1.00 1.27 C ATOM 817 CD LYS A 71 -4.080 8.407 -8.194 1.00 1.74 C ATOM 818 CE LYS A 71 -4.713 9.249 -9.287 1.00 2.14 C ATOM 819 NZ LYS A 71 -3.738 9.604 -10.350 1.00 2.53 N ATOM 0 H LYS A 71 -5.474 8.664 -4.344 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.290 6.158 -5.506 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.679 7.708 -5.577 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.017 6.277 -6.529 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.922 7.475 -7.613 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.524 8.911 -6.691 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -3.268 8.964 -7.727 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.641 7.510 -8.631 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -5.547 8.703 -9.728 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -5.123 10.160 -8.851 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -4.211 10.179 -11.077 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -2.954 10.147 -9.935 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -3.366 8.735 -10.784 1.00 2.53 H new ATOM 833 N ILE A 72 -5.285 4.507 -3.997 1.00 0.45 N ATOM 834 CA ILE A 72 -4.720 3.503 -3.122 1.00 0.43 C ATOM 835 C ILE A 72 -3.704 2.657 -3.875 1.00 0.41 C ATOM 836 O ILE A 72 -4.007 2.074 -4.920 1.00 0.50 O ATOM 837 CB ILE A 72 -5.815 2.599 -2.517 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.874 3.457 -1.816 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.204 1.598 -1.542 1.00 0.58 C ATOM 840 CD1 ILE A 72 -8.035 2.664 -1.258 1.00 1.00 C ATOM 0 H ILE A 72 -6.072 4.185 -4.560 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.220 4.021 -2.303 1.00 0.43 H new ATOM 0 HB ILE A 72 -6.293 2.041 -3.322 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.401 4.009 -1.004 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.256 4.194 -2.522 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.991 0.969 -1.125 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.481 0.974 -2.067 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.703 2.134 -0.736 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.741 3.342 -0.778 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.535 2.133 -2.068 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.666 1.946 -0.526 1.00 1.00 H new ATOM 852 N LEU A 73 -2.494 2.627 -3.354 1.00 0.37 N ATOM 853 CA LEU A 73 -1.426 1.820 -3.908 1.00 0.37 C ATOM 854 C LEU A 73 -1.103 0.692 -2.947 1.00 0.37 C ATOM 855 O LEU A 73 -0.757 0.933 -1.791 1.00 0.46 O ATOM 856 CB LEU A 73 -0.177 2.679 -4.150 1.00 0.43 C ATOM 857 CG LEU A 73 1.112 1.897 -4.451 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.108 1.351 -5.870 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.347 2.758 -4.206 1.00 1.22 C ATOM 0 H LEU A 73 -2.223 3.164 -2.531 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.748 1.405 -4.863 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.376 3.353 -4.983 1.00 0.43 H new ATOM 0 HB3 LEU A 73 -0.008 3.300 -3.271 1.00 0.43 H new ATOM 0 HG LEU A 73 1.149 1.050 -3.766 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.033 0.803 -6.052 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.258 0.681 -6.000 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.030 2.177 -6.577 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.244 2.179 -4.427 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.313 3.635 -4.852 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.368 3.076 -3.164 1.00 1.22 H new ATOM 871 N VAL A 74 -1.239 -0.534 -3.410 1.00 0.40 N ATOM 872 CA VAL A 74 -0.950 -1.681 -2.573 1.00 0.40 C ATOM 873 C VAL A 74 0.279 -2.400 -3.099 1.00 0.39 C ATOM 874 O VAL A 74 0.351 -2.760 -4.276 1.00 0.47 O ATOM 875 CB VAL A 74 -2.143 -2.658 -2.498 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.872 -3.783 -1.510 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.416 -1.918 -2.125 1.00 1.16 C ATOM 0 H VAL A 74 -1.546 -0.761 -4.356 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.762 -1.318 -1.563 1.00 0.40 H new ATOM 0 HB VAL A 74 -2.275 -3.102 -3.485 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.730 -4.455 -1.479 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.988 -4.338 -1.824 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.704 -3.363 -0.518 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -4.246 -2.623 -2.077 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.288 -1.441 -1.153 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.629 -1.158 -2.877 1.00 1.16 H new ATOM 887 N LEU A 75 1.240 -2.600 -2.224 1.00 0.38 N ATOM 888 CA LEU A 75 2.512 -3.180 -2.613 1.00 0.38 C ATOM 889 C LEU A 75 2.810 -4.374 -1.719 1.00 0.35 C ATOM 890 O LEU A 75 2.679 -4.289 -0.498 1.00 0.43 O ATOM 891 CB LEU A 75 3.628 -2.129 -2.517 1.00 0.48 C ATOM 892 CG LEU A 75 4.971 -2.543 -3.107 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.858 -2.695 -4.618 1.00 1.67 C ATOM 894 CD2 LEU A 75 6.038 -1.521 -2.748 1.00 1.65 C ATOM 0 H LEU A 75 1.166 -2.369 -1.233 1.00 0.38 H new ATOM 0 HA LEU A 75 2.460 -3.517 -3.648 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.294 -1.222 -3.021 1.00 0.48 H new ATOM 0 HB3 LEU A 75 3.775 -1.875 -1.467 1.00 0.48 H new ATOM 0 HG LEU A 75 5.260 -3.506 -2.686 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.824 -2.991 -5.027 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.116 -3.458 -4.852 1.00 1.67 H new ATOM 0 HD13 LEU A 75 4.553 -1.745 -5.057 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.993 -1.827 -3.175 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.758 -0.546 -3.148 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.129 -1.456 -1.664 1.00 1.65 H new ATOM 906 N LEU A 76 3.191 -5.488 -2.319 1.00 0.34 N ATOM 907 CA LEU A 76 3.374 -6.717 -1.565 1.00 0.42 C ATOM 908 C LEU A 76 4.745 -7.321 -1.816 1.00 0.41 C ATOM 909 O LEU A 76 5.226 -7.351 -2.951 1.00 0.48 O ATOM 910 CB LEU A 76 2.307 -7.772 -1.927 1.00 0.55 C ATOM 911 CG LEU A 76 0.868 -7.530 -1.433 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.851 -7.022 -0.003 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.116 -6.583 -2.350 1.00 1.76 C ATOM 0 H LEU A 76 3.379 -5.568 -3.318 1.00 0.34 H new ATOM 0 HA LEU A 76 3.276 -6.447 -0.513 1.00 0.42 H new ATOM 0 HB2 LEU A 76 2.279 -7.862 -3.013 1.00 0.55 H new ATOM 0 HB3 LEU A 76 2.639 -8.734 -1.536 1.00 0.55 H new ATOM 0 HG LEU A 76 0.355 -8.492 -1.454 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -0.180 -6.862 0.314 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.321 -7.757 0.650 1.00 1.52 H new ATOM 0 HD13 LEU A 76 1.399 -6.082 0.056 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.895 -6.436 -1.971 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.633 -5.624 -2.386 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.069 -7.008 -3.353 1.00 1.76 H new ATOM 925 N GLU A 77 5.372 -7.783 -0.749 1.00 0.46 N ATOM 926 CA GLU A 77 6.502 -8.684 -0.869 1.00 0.49 C ATOM 927 C GLU A 77 5.938 -10.088 -1.013 1.00 0.49 C ATOM 928 O GLU A 77 5.076 -10.493 -0.228 1.00 0.59 O ATOM 929 CB GLU A 77 7.419 -8.583 0.359 1.00 0.61 C ATOM 930 CG GLU A 77 8.438 -9.713 0.486 1.00 0.63 C ATOM 931 CD GLU A 77 9.484 -9.718 -0.612 1.00 1.04 C ATOM 932 OE1 GLU A 77 9.135 -10.019 -1.774 1.00 1.71 O ATOM 933 OE2 GLU A 77 10.670 -9.464 -0.305 1.00 1.74 O ATOM 0 H GLU A 77 5.117 -7.548 0.210 1.00 0.46 H new ATOM 0 HA GLU A 77 7.110 -8.424 -1.735 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.952 -7.633 0.321 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.801 -8.566 1.257 1.00 0.61 H new ATOM 0 HG2 GLU A 77 8.938 -9.633 1.451 1.00 0.63 H new ATOM 0 HG3 GLU A 77 7.912 -10.667 0.478 1.00 0.63 H new ATOM 940 N ASP A 78 6.401 -10.814 -2.018 1.00 0.54 N ATOM 941 CA ASP A 78 5.812 -12.106 -2.367 1.00 0.61 C ATOM 942 C ASP A 78 6.045 -13.135 -1.265 1.00 0.63 C ATOM 943 O ASP A 78 7.041 -13.861 -1.262 1.00 0.72 O ATOM 944 CB ASP A 78 6.374 -12.608 -3.700 1.00 0.77 C ATOM 945 CG ASP A 78 5.738 -13.908 -4.154 1.00 1.06 C ATOM 946 OD1 ASP A 78 4.554 -13.889 -4.555 1.00 1.59 O ATOM 947 OD2 ASP A 78 6.420 -14.951 -4.137 1.00 1.85 O ATOM 0 H ASP A 78 7.183 -10.534 -2.610 1.00 0.54 H new ATOM 0 HA ASP A 78 4.736 -11.968 -2.473 1.00 0.61 H new ATOM 0 HB2 ASP A 78 6.219 -11.847 -4.464 1.00 0.77 H new ATOM 0 HB3 ASP A 78 7.451 -12.749 -3.605 1.00 0.77 H new ATOM 952 N THR A 79 5.122 -13.161 -0.318 1.00 0.61 N ATOM 953 CA THR A 79 5.164 -14.094 0.790 1.00 0.72 C ATOM 954 C THR A 79 4.013 -15.093 0.667 1.00 0.78 C ATOM 955 O THR A 79 3.022 -14.796 -0.003 1.00 0.84 O ATOM 956 CB THR A 79 5.060 -13.337 2.127 1.00 0.77 C ATOM 957 OG1 THR A 79 5.772 -12.094 2.036 1.00 1.04 O ATOM 958 CG2 THR A 79 5.632 -14.160 3.270 1.00 1.20 C ATOM 0 H THR A 79 4.320 -12.532 -0.298 1.00 0.61 H new ATOM 0 HA THR A 79 6.112 -14.632 0.764 1.00 0.72 H new ATOM 0 HB THR A 79 4.005 -13.150 2.329 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.372 -11.538 1.335 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.545 -13.600 4.201 1.00 1.20 H new ATOM 0 HG22 THR A 79 5.080 -15.096 3.356 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.682 -14.375 3.073 1.00 1.20 H new ATOM 966 N LYS A 80 4.119 -16.255 1.297 1.00 0.84 N ATOM 967 CA LYS A 80 3.083 -17.279 1.170 1.00 0.92 C ATOM 968 C LYS A 80 1.736 -16.773 1.699 1.00 0.88 C ATOM 969 O LYS A 80 0.711 -16.878 1.018 1.00 0.90 O ATOM 970 CB LYS A 80 3.497 -18.557 1.902 1.00 1.09 C ATOM 971 CG LYS A 80 2.525 -19.710 1.702 1.00 1.65 C ATOM 972 CD LYS A 80 3.027 -21.004 2.331 1.00 2.05 C ATOM 973 CE LYS A 80 3.986 -21.764 1.420 1.00 3.00 C ATOM 974 NZ LYS A 80 5.319 -21.112 1.304 1.00 3.57 N ATOM 0 H LYS A 80 4.903 -16.514 1.896 1.00 0.84 H new ATOM 0 HA LYS A 80 2.966 -17.506 0.110 1.00 0.92 H new ATOM 0 HB2 LYS A 80 4.485 -18.861 1.557 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.583 -18.345 2.968 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.560 -19.448 2.136 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.364 -19.866 0.635 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.529 -20.776 3.272 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.176 -21.642 2.570 1.00 2.05 H new ATOM 0 HE2 LYS A 80 4.115 -22.777 1.802 1.00 3.00 H new ATOM 0 HE3 LYS A 80 3.543 -21.852 0.428 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 6.042 -21.833 1.105 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 5.300 -20.418 0.530 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 5.548 -20.629 2.196 1.00 3.57 H new ATOM 988 N ASP A 81 1.746 -16.216 2.904 1.00 0.90 N ATOM 989 CA ASP A 81 0.518 -15.692 3.525 1.00 0.93 C ATOM 990 C ASP A 81 -0.050 -14.512 2.733 1.00 0.83 C ATOM 991 O ASP A 81 -1.261 -14.278 2.727 1.00 0.82 O ATOM 992 CB ASP A 81 0.769 -15.255 4.976 1.00 1.08 C ATOM 993 CG ASP A 81 -0.516 -14.957 5.723 1.00 1.46 C ATOM 994 OD1 ASP A 81 -0.813 -13.769 5.952 1.00 2.24 O ATOM 995 OD2 ASP A 81 -1.236 -15.913 6.086 1.00 2.00 O ATOM 0 H ASP A 81 2.584 -16.112 3.476 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.209 -16.504 3.519 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.316 -16.040 5.499 1.00 1.08 H new ATOM 0 HB3 ASP A 81 1.402 -14.368 4.981 1.00 1.08 H new ATOM 1000 N ALA A 82 0.829 -13.801 2.032 1.00 0.82 N ATOM 1001 CA ALA A 82 0.458 -12.580 1.317 1.00 0.82 C ATOM 1002 C ALA A 82 -0.492 -12.854 0.152 1.00 0.82 C ATOM 1003 O ALA A 82 -1.100 -11.933 -0.391 1.00 0.84 O ATOM 1004 CB ALA A 82 1.704 -11.867 0.817 1.00 0.97 C ATOM 0 H ALA A 82 1.814 -14.052 1.943 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.072 -11.941 2.024 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.416 -10.960 0.286 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.338 -11.606 1.664 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.253 -12.524 0.142 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.633 -14.122 -0.213 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.489 -14.502 -1.334 1.00 1.03 C ATOM 1012 C ASP A 83 -2.945 -14.286 -0.956 1.00 0.98 C ATOM 1013 O ASP A 83 -3.774 -13.893 -1.779 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.248 -15.969 -1.717 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.170 -16.454 -2.820 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.794 -16.342 -4.006 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.260 -16.974 -2.507 1.00 2.33 O ATOM 0 H ASP A 83 -0.168 -14.904 0.248 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.247 -13.880 -2.196 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.213 -16.090 -2.037 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.384 -16.596 -0.836 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.231 -14.508 0.317 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.579 -14.386 0.836 1.00 1.04 C ATOM 1024 C LYS A 84 -4.903 -12.935 1.164 1.00 0.94 C ATOM 1025 O LYS A 84 -6.062 -12.524 1.127 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.755 -15.258 2.082 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.876 -16.748 1.794 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.535 -17.384 1.452 1.00 2.01 C ATOM 1029 CE LYS A 84 -2.608 -17.438 2.657 1.00 2.47 C ATOM 1030 NZ LYS A 84 -3.204 -18.204 3.783 1.00 3.21 N ATOM 0 H LYS A 84 -2.537 -14.776 1.015 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.270 -14.729 0.066 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.906 -15.096 2.747 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.646 -14.930 2.617 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -5.302 -17.250 2.663 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -5.569 -16.900 0.966 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.698 -18.393 1.074 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -3.058 -16.817 0.652 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -1.662 -17.896 2.367 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -2.383 -16.424 2.987 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -2.453 -18.494 4.442 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -3.892 -17.606 4.284 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.684 -19.049 3.412 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.877 -12.159 1.484 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.067 -10.749 1.794 1.00 0.77 C ATOM 1046 C VAL A 85 -4.453 -9.983 0.531 1.00 0.68 C ATOM 1047 O VAL A 85 -5.297 -9.088 0.570 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.790 -10.107 2.408 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.108 -8.747 3.008 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.130 -11.014 3.450 1.00 1.16 C ATOM 0 H VAL A 85 -2.910 -12.479 1.536 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.866 -10.687 2.533 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.075 -9.975 1.596 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.201 -8.315 3.432 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.495 -8.088 2.231 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.856 -8.861 3.792 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.243 -10.523 3.850 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -2.833 -11.209 4.260 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.844 -11.956 2.983 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.861 -10.372 -0.595 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.092 -9.683 -1.859 1.00 0.59 C ATOM 1062 C LYS A 86 -5.550 -9.812 -2.290 1.00 0.69 C ATOM 1063 O LYS A 86 -6.212 -8.812 -2.569 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.188 -10.252 -2.954 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.178 -9.415 -4.223 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.603 -10.181 -5.406 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.573 -11.242 -5.906 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.038 -11.979 -7.081 1.00 2.30 N ATOM 0 H LYS A 86 -3.218 -11.161 -0.657 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.858 -8.629 -1.710 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.171 -10.330 -2.571 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.516 -11.263 -3.197 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.194 -9.097 -4.456 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.592 -8.511 -4.057 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -2.373 -9.486 -6.214 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -1.664 -10.652 -5.114 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -3.785 -11.947 -5.102 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -4.519 -10.771 -6.174 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.730 -12.691 -7.389 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -2.860 -11.311 -7.858 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.149 -12.451 -6.819 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.044 -11.050 -2.321 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.386 -11.338 -2.824 1.00 0.89 C ATOM 1084 C LYS A 87 -8.462 -10.557 -2.066 1.00 0.88 C ATOM 1085 O LYS A 87 -9.462 -10.138 -2.653 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.694 -12.837 -2.736 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.629 -13.385 -1.322 1.00 1.85 C ATOM 1088 CD LYS A 87 -8.539 -14.585 -1.134 1.00 2.29 C ATOM 1089 CE LYS A 87 -8.576 -15.018 0.323 1.00 3.21 C ATOM 1090 NZ LYS A 87 -9.685 -15.969 0.593 1.00 3.93 N ATOM 0 H LYS A 87 -5.532 -11.872 -2.002 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.402 -11.023 -3.867 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -8.688 -13.020 -3.143 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -6.988 -13.383 -3.362 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.602 -13.669 -1.090 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -7.910 -12.603 -0.617 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -9.546 -14.338 -1.469 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.190 -15.411 -1.754 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -7.627 -15.484 0.587 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -8.688 -14.140 0.959 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -9.674 -16.239 1.597 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -10.593 -15.516 0.366 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -9.565 -16.818 0.005 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.264 -10.368 -0.766 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.255 -9.679 0.047 1.00 0.98 C ATOM 1106 C GLU A 88 -9.240 -8.185 -0.233 1.00 0.96 C ATOM 1107 O GLU A 88 -10.295 -7.568 -0.379 1.00 1.02 O ATOM 1108 CB GLU A 88 -9.038 -9.944 1.535 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.212 -11.402 1.920 1.00 1.16 C ATOM 1110 CD GLU A 88 -9.555 -11.581 3.383 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -8.632 -11.732 4.205 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -10.760 -11.575 3.715 1.00 2.58 O ATOM 0 H GLU A 88 -7.436 -10.679 -0.259 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.234 -10.074 -0.225 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -8.035 -9.620 1.811 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.738 -9.338 2.110 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -10.000 -11.844 1.309 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.294 -11.945 1.697 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.046 -7.611 -0.325 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.907 -6.189 -0.620 1.00 0.93 C ATOM 1121 C ILE A 89 -8.546 -5.857 -1.968 1.00 0.87 C ATOM 1122 O ILE A 89 -9.238 -4.846 -2.104 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.422 -5.752 -0.624 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.781 -5.995 0.750 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.289 -4.286 -1.019 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.437 -5.232 1.884 1.00 1.17 C ATOM 0 H ILE A 89 -7.163 -8.106 -0.200 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.422 -5.640 0.168 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.895 -6.356 -1.363 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.820 -7.061 0.974 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.728 -5.718 0.702 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.237 -4.002 -1.015 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.700 -4.140 -2.018 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.835 -3.666 -0.307 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.925 -5.459 2.819 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.375 -4.162 1.687 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.484 -5.526 1.963 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.339 -6.732 -2.946 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.899 -6.546 -4.282 1.00 0.79 C ATOM 1140 C GLU A 90 -10.427 -6.556 -4.252 1.00 0.79 C ATOM 1141 O GLU A 90 -11.074 -5.713 -4.876 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.403 -7.642 -5.225 1.00 0.83 C ATOM 1143 CG GLU A 90 -6.895 -7.671 -5.395 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.439 -8.764 -6.337 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.610 -9.954 -6.000 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -5.907 -8.441 -7.421 1.00 2.08 O ATOM 0 H GLU A 90 -7.785 -7.582 -2.839 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.566 -5.574 -4.645 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.735 -8.609 -4.848 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.866 -7.504 -6.202 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.557 -6.706 -5.772 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.426 -7.815 -4.422 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.000 -7.507 -3.519 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.451 -7.649 -3.452 1.00 0.93 C ATOM 1155 C LYS A 91 -13.081 -6.450 -2.743 1.00 0.96 C ATOM 1156 O LYS A 91 -14.154 -5.981 -3.125 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.827 -8.953 -2.741 1.00 1.11 C ATOM 1158 CG LYS A 91 -14.321 -9.249 -2.750 1.00 1.66 C ATOM 1159 CD LYS A 91 -14.620 -10.667 -2.281 1.00 1.93 C ATOM 1160 CE LYS A 91 -14.259 -10.875 -0.817 1.00 2.60 C ATOM 1161 NZ LYS A 91 -15.115 -10.067 0.089 1.00 3.12 N ATOM 0 H LYS A 91 -10.483 -8.189 -2.964 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.840 -7.684 -4.470 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.299 -9.780 -3.216 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -12.482 -8.906 -1.708 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -14.836 -8.537 -2.106 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.713 -9.109 -3.757 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -15.679 -10.881 -2.426 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -14.065 -11.376 -2.895 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -14.361 -11.931 -0.565 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -13.214 -10.609 -0.660 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -14.966 -10.373 1.072 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -14.865 -9.062 -0.002 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -16.114 -10.200 -0.168 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.401 -5.953 -1.719 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.855 -4.770 -0.999 1.00 1.17 C ATOM 1177 C LYS A 92 -12.771 -3.538 -1.896 1.00 1.08 C ATOM 1178 O LYS A 92 -13.656 -2.680 -1.881 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.011 -4.565 0.261 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.136 -5.696 1.270 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.080 -5.591 2.356 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.208 -6.708 3.381 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.444 -6.581 4.202 1.00 2.41 N ATOM 0 H LYS A 92 -11.531 -6.352 -1.367 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.895 -4.917 -0.706 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.965 -4.460 -0.026 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.306 -3.630 0.738 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.128 -5.674 1.722 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.040 -6.654 0.759 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.089 -5.625 1.903 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -11.169 -4.627 2.857 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.212 -7.670 2.869 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -10.337 -6.699 4.036 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.304 -7.058 5.116 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -12.651 -5.575 4.364 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -13.241 -7.022 3.700 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.706 -3.472 -2.688 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.486 -2.360 -3.604 1.00 0.99 C ATOM 1199 C ALA A 93 -12.571 -2.300 -4.672 1.00 0.90 C ATOM 1200 O ALA A 93 -13.121 -1.233 -4.955 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.120 -2.490 -4.257 1.00 1.01 C ATOM 0 H ALA A 93 -10.975 -4.183 -2.713 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.527 -1.434 -3.030 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.962 -1.656 -4.940 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.347 -2.481 -3.489 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.069 -3.427 -4.811 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.879 -3.452 -5.257 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.884 -3.532 -6.311 1.00 0.85 C ATOM 1209 C ARG A 94 -15.265 -3.186 -5.774 1.00 0.86 C ATOM 1210 O ARG A 94 -16.094 -2.620 -6.488 1.00 0.92 O ATOM 1211 CB ARG A 94 -13.905 -4.931 -6.933 1.00 0.93 C ATOM 1212 CG ARG A 94 -12.631 -5.284 -7.679 1.00 1.31 C ATOM 1213 CD ARG A 94 -12.712 -6.672 -8.290 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.751 -6.770 -9.313 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.259 -7.921 -9.751 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.852 -9.071 -9.228 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -15.179 -7.919 -10.704 1.00 3.67 N ATOM 0 H ARG A 94 -12.447 -4.345 -5.019 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.617 -2.807 -7.080 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.071 -5.667 -6.146 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.749 -5.002 -7.619 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -12.452 -4.549 -8.464 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -11.783 -5.234 -6.997 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -11.748 -6.930 -8.729 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -12.910 -7.401 -7.504 1.00 1.63 H new ATOM 0 HE ARG A 94 -14.109 -5.904 -9.716 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.149 -9.075 -8.489 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -14.242 -9.951 -9.565 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.499 -7.036 -11.103 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -15.568 -8.800 -11.039 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.503 -3.518 -4.512 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.781 -3.236 -3.881 1.00 1.02 C ATOM 1233 C LYS A 95 -16.941 -1.738 -3.647 1.00 1.02 C ATOM 1234 O LYS A 95 -18.043 -1.194 -3.756 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.902 -4.002 -2.564 1.00 1.23 C ATOM 1236 CG LYS A 95 -18.272 -3.885 -1.915 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.448 -4.870 -0.767 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.835 -6.266 -1.254 1.00 2.52 C ATOM 1239 NZ LYS A 95 -17.783 -6.903 -2.093 1.00 3.34 N ATOM 0 H LYS A 95 -14.826 -3.983 -3.907 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.578 -3.565 -4.547 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.683 -5.055 -2.744 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -16.147 -3.634 -1.869 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.412 -2.869 -1.545 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -19.044 -4.061 -2.664 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.520 -4.930 -0.198 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -19.215 -4.499 -0.087 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -19.039 -6.902 -0.392 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -19.759 -6.201 -1.828 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -17.868 -7.938 -2.030 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -17.900 -6.605 -3.082 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -16.844 -6.612 -1.753 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.835 -1.072 -3.343 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.848 0.369 -3.129 1.00 1.03 C ATOM 1255 C LYS A 96 -15.740 1.123 -4.450 1.00 0.96 C ATOM 1256 O LYS A 96 -15.794 2.353 -4.479 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.716 0.789 -2.190 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.915 0.320 -0.759 1.00 1.29 C ATOM 1259 CD LYS A 96 -13.830 0.850 0.162 1.00 1.68 C ATOM 1260 CE LYS A 96 -14.142 0.543 1.618 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.429 1.155 2.049 1.00 2.17 N ATOM 0 H LYS A 96 -14.918 -1.506 -3.239 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.801 0.625 -2.665 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.774 0.391 -2.567 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.630 1.876 -2.200 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.890 0.650 -0.400 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.917 -0.770 -0.730 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -12.872 0.406 -0.108 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -13.731 1.927 0.028 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.187 -0.537 1.760 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -13.334 0.914 2.249 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.366 1.426 3.051 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.622 2.000 1.474 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -16.199 0.468 1.924 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.581 0.366 -5.536 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.546 0.919 -6.892 1.00 0.86 C ATOM 1277 C ASN A 97 -14.354 1.867 -7.053 1.00 0.87 C ATOM 1278 O ASN A 97 -14.415 2.857 -7.780 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.870 1.644 -7.198 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.138 1.825 -8.684 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.726 0.956 -9.328 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -16.734 2.960 -9.232 1.00 2.33 N ATOM 0 H ASN A 97 -15.473 -0.648 -5.501 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.425 0.103 -7.605 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.692 1.082 -6.755 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.858 2.623 -6.718 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -16.907 3.139 -10.221 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -16.250 3.656 -8.665 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.261 1.548 -6.374 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.083 2.403 -6.382 1.00 0.84 C ATOM 1291 C LEU A 98 -10.922 1.676 -7.060 1.00 0.71 C ATOM 1292 O LEU A 98 -10.577 0.558 -6.672 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.734 2.808 -4.936 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.729 3.971 -4.777 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.869 4.644 -3.414 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -9.297 3.482 -4.944 1.00 2.08 C ATOM 0 H LEU A 98 -13.166 0.703 -5.811 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.284 3.312 -6.950 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.657 3.080 -4.424 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.331 1.935 -4.423 1.00 1.00 H new ATOM 0 HG LEU A 98 -10.957 4.697 -5.557 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.148 5.458 -3.334 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.878 5.042 -3.306 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.681 3.914 -2.627 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -8.610 4.320 -4.827 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -9.080 2.727 -4.188 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.174 3.048 -5.936 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.333 2.279 -8.111 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.195 1.681 -8.816 1.00 0.85 C ATOM 1310 C PRO A 99 -7.956 1.574 -7.930 1.00 0.70 C ATOM 1311 O PRO A 99 -7.425 2.580 -7.452 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.918 2.624 -9.993 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.707 3.871 -9.743 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.748 3.569 -8.692 1.00 1.10 C ATOM 0 HA PRO A 99 -9.426 0.663 -9.130 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -7.854 2.848 -10.067 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.213 2.163 -10.936 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.051 4.675 -9.408 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.183 4.210 -10.663 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.783 4.351 -7.934 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.744 3.504 -9.129 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.491 0.351 -7.723 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.330 0.108 -6.879 1.00 0.47 C ATOM 1324 C VAL A 100 -5.272 -0.691 -7.633 1.00 0.42 C ATOM 1325 O VAL A 100 -5.546 -1.782 -8.143 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.707 -0.634 -5.574 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -5.473 -0.903 -4.729 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.725 0.171 -4.782 1.00 1.35 C ATOM 0 H VAL A 100 -7.901 -0.490 -8.129 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.925 1.083 -6.610 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.152 -1.592 -5.843 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -5.763 -1.425 -3.817 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -4.773 -1.519 -5.293 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -4.996 0.042 -4.470 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.980 -0.364 -3.867 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.302 1.143 -4.528 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -8.624 0.312 -5.382 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.070 -0.139 -7.707 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.970 -0.792 -8.398 1.00 0.43 C ATOM 1340 C ARG A 101 -2.147 -1.610 -7.409 1.00 0.40 C ATOM 1341 O ARG A 101 -1.593 -1.070 -6.451 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.087 0.262 -9.102 1.00 0.49 C ATOM 1343 CG ARG A 101 -2.756 0.894 -10.313 1.00 1.20 C ATOM 1344 CD ARG A 101 -1.885 1.968 -10.952 1.00 1.40 C ATOM 1345 NE ARG A 101 -0.650 1.418 -11.514 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.321 2.159 -12.054 1.00 2.89 C ATOM 1347 NH1 ARG A 101 0.219 3.482 -12.081 1.00 2.96 N ATOM 1348 NH2 ARG A 101 1.400 1.574 -12.561 1.00 3.87 N ATOM 0 H ARG A 101 -3.832 0.763 -7.295 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.372 -1.466 -9.155 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -1.828 1.044 -8.389 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.153 -0.206 -9.414 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -2.977 0.121 -11.049 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -3.709 1.331 -10.014 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.448 2.469 -11.739 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -1.638 2.724 -10.206 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.523 0.406 -11.492 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.604 3.938 -11.688 1.00 2.96 H new ATOM 0 HH12 ARG A 101 0.964 4.043 -12.495 1.00 2.96 H new ATOM 0 HH21 ARG A 101 1.488 0.558 -12.538 1.00 3.87 H new ATOM 0 HH22 ARG A 101 2.141 2.141 -12.973 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.098 -2.915 -7.631 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.364 -3.815 -6.754 1.00 0.43 C ATOM 1364 C ILE A 102 -0.159 -4.402 -7.481 1.00 0.45 C ATOM 1365 O ILE A 102 -0.273 -4.836 -8.630 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.264 -4.967 -6.250 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.518 -4.404 -5.566 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.494 -5.880 -5.306 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.277 -5.421 -4.735 1.00 0.76 C ATOM 0 H ILE A 102 -2.560 -3.376 -8.415 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.027 -3.233 -5.896 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.578 -5.561 -7.108 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.227 -3.571 -4.926 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.186 -4.002 -6.328 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -2.147 -6.683 -4.964 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.638 -6.306 -5.829 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.145 -5.305 -4.448 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.149 -4.946 -4.285 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.601 -6.243 -5.373 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.628 -5.806 -3.949 1.00 0.76 H new ATOM 1381 N ARG A 103 0.996 -4.396 -6.822 1.00 0.41 N ATOM 1382 CA ARG A 103 2.210 -4.971 -7.397 1.00 0.50 C ATOM 1383 C ARG A 103 3.017 -5.731 -6.352 1.00 0.43 C ATOM 1384 O ARG A 103 2.925 -5.457 -5.155 1.00 0.53 O ATOM 1385 CB ARG A 103 3.091 -3.887 -8.021 1.00 0.65 C ATOM 1386 CG ARG A 103 2.593 -3.393 -9.375 1.00 1.12 C ATOM 1387 CD ARG A 103 3.723 -2.819 -10.223 1.00 1.27 C ATOM 1388 NE ARG A 103 3.315 -2.632 -11.612 1.00 1.83 N ATOM 1389 CZ ARG A 103 4.086 -2.916 -12.662 1.00 2.44 C ATOM 1390 NH1 ARG A 103 5.306 -3.412 -12.486 1.00 2.64 N ATOM 1391 NH2 ARG A 103 3.633 -2.710 -13.891 1.00 3.34 N ATOM 0 H ARG A 103 1.118 -4.000 -5.890 1.00 0.41 H new ATOM 0 HA ARG A 103 1.893 -5.668 -8.173 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.151 -3.041 -7.336 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.103 -4.276 -8.136 1.00 0.65 H new ATOM 0 HG2 ARG A 103 2.120 -4.217 -9.910 1.00 1.12 H new ATOM 0 HG3 ARG A 103 1.829 -2.630 -9.224 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.042 -1.864 -9.806 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.583 -3.487 -10.183 1.00 1.27 H new ATOM 0 HE ARG A 103 2.382 -2.261 -11.790 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.658 -3.578 -11.543 1.00 2.64 H new ATOM 0 HH12 ARG A 103 5.891 -3.627 -13.294 1.00 2.64 H new ATOM 0 HH21 ARG A 103 2.695 -2.334 -14.033 1.00 3.34 H new ATOM 0 HH22 ARG A 103 4.222 -2.927 -14.695 1.00 3.34 H new ATOM 1405 N LYS A 104 3.804 -6.690 -6.822 1.00 0.38 N ATOM 1406 CA LYS A 104 4.722 -7.428 -5.968 1.00 0.39 C ATOM 1407 C LYS A 104 6.158 -7.088 -6.329 1.00 0.37 C ATOM 1408 O LYS A 104 6.577 -7.265 -7.474 1.00 0.46 O ATOM 1409 CB LYS A 104 4.521 -8.939 -6.107 1.00 0.51 C ATOM 1410 CG LYS A 104 3.240 -9.474 -5.491 1.00 0.63 C ATOM 1411 CD LYS A 104 3.167 -10.980 -5.654 1.00 1.06 C ATOM 1412 CE LYS A 104 2.016 -11.583 -4.872 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.029 -13.064 -4.952 1.00 1.91 N ATOM 0 H LYS A 104 3.823 -6.976 -7.801 1.00 0.38 H new ATOM 0 HA LYS A 104 4.516 -7.140 -4.937 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.532 -9.196 -7.166 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.368 -9.447 -5.646 1.00 0.51 H new ATOM 0 HG2 LYS A 104 3.201 -9.213 -4.433 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.377 -9.008 -5.967 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.055 -11.225 -6.710 1.00 1.06 H new ATOM 0 HD3 LYS A 104 4.104 -11.426 -5.321 1.00 1.06 H new ATOM 0 HE2 LYS A 104 2.079 -11.272 -3.829 1.00 1.50 H new ATOM 0 HE3 LYS A 104 1.071 -11.204 -5.261 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 1.699 -13.463 -4.050 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.400 -13.376 -5.719 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.997 -13.393 -5.142 1.00 1.91 H new ATOM 1427 N VAL A 105 6.912 -6.604 -5.356 1.00 0.35 N ATOM 1428 CA VAL A 105 8.304 -6.231 -5.574 1.00 0.39 C ATOM 1429 C VAL A 105 9.154 -6.694 -4.401 1.00 0.46 C ATOM 1430 O VAL A 105 8.656 -6.799 -3.279 1.00 0.52 O ATOM 1431 CB VAL A 105 8.468 -4.697 -5.731 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.613 -4.172 -6.868 1.00 0.43 C ATOM 1433 CG2 VAL A 105 8.121 -3.982 -4.435 1.00 0.55 C ATOM 0 H VAL A 105 6.583 -6.459 -4.401 1.00 0.35 H new ATOM 0 HA VAL A 105 8.630 -6.713 -6.495 1.00 0.39 H new ATOM 0 HB VAL A 105 9.513 -4.496 -5.968 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.747 -3.094 -6.956 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.912 -4.652 -7.800 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.565 -4.392 -6.667 1.00 0.43 H new ATOM 0 HG21 VAL A 105 8.243 -2.907 -4.568 1.00 0.55 H new ATOM 0 HG22 VAL A 105 7.087 -4.199 -4.165 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.783 -4.327 -3.641 1.00 0.55 H new ATOM 1443 N THR A 106 10.412 -7.015 -4.650 1.00 0.52 N ATOM 1444 CA THR A 106 11.329 -7.252 -3.560 1.00 0.61 C ATOM 1445 C THR A 106 12.651 -6.528 -3.823 1.00 0.58 C ATOM 1446 O THR A 106 13.562 -7.046 -4.472 1.00 0.67 O ATOM 1447 CB THR A 106 11.538 -8.774 -3.337 1.00 0.80 C ATOM 1448 OG1 THR A 106 12.469 -9.011 -2.275 1.00 1.32 O ATOM 1449 CG2 THR A 106 12.002 -9.481 -4.607 1.00 1.64 C ATOM 0 H THR A 106 10.813 -7.115 -5.583 1.00 0.52 H new ATOM 0 HA THR A 106 10.902 -6.849 -2.641 1.00 0.61 H new ATOM 0 HB THR A 106 10.569 -9.190 -3.060 1.00 0.80 H new ATOM 0 HG1 THR A 106 11.980 -9.215 -1.451 1.00 1.32 H new ATOM 0 HG21 THR A 106 12.135 -10.544 -4.404 1.00 1.64 H new ATOM 0 HG22 THR A 106 11.254 -9.352 -5.389 1.00 1.64 H new ATOM 0 HG23 THR A 106 12.949 -9.053 -4.936 1.00 1.64 H new ATOM 1457 N SER A 107 12.719 -5.302 -3.314 1.00 0.50 N ATOM 1458 CA SER A 107 13.913 -4.472 -3.373 1.00 0.51 C ATOM 1459 C SER A 107 13.590 -3.100 -2.784 1.00 0.45 C ATOM 1460 O SER A 107 12.587 -2.499 -3.176 1.00 0.44 O ATOM 1461 CB SER A 107 14.421 -4.324 -4.815 1.00 0.56 C ATOM 1462 OG SER A 107 15.645 -3.609 -4.864 1.00 1.36 O ATOM 0 H SER A 107 11.934 -4.852 -2.843 1.00 0.50 H new ATOM 0 HA SER A 107 14.704 -4.950 -2.795 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.557 -5.311 -5.257 1.00 0.56 H new ATOM 0 HB3 SER A 107 13.672 -3.807 -5.415 1.00 0.56 H new ATOM 0 HG SER A 107 15.943 -3.533 -5.795 1.00 1.36 H new ATOM 1468 N PRO A 108 14.384 -2.596 -1.825 1.00 0.47 N ATOM 1469 CA PRO A 108 14.106 -1.314 -1.167 1.00 0.49 C ATOM 1470 C PRO A 108 13.772 -0.190 -2.146 1.00 0.43 C ATOM 1471 O PRO A 108 12.672 0.366 -2.110 1.00 0.47 O ATOM 1472 CB PRO A 108 15.404 -1.003 -0.433 1.00 0.63 C ATOM 1473 CG PRO A 108 16.016 -2.334 -0.159 1.00 0.69 C ATOM 1474 CD PRO A 108 15.601 -3.238 -1.292 1.00 0.55 C ATOM 0 HA PRO A 108 13.231 -1.385 -0.521 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.063 -0.382 -1.040 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.215 -0.457 0.491 1.00 0.63 H new ATOM 0 HG2 PRO A 108 17.102 -2.257 -0.102 1.00 0.69 H new ATOM 0 HG3 PRO A 108 15.674 -2.729 0.798 1.00 0.69 H new ATOM 0 HD2 PRO A 108 16.380 -3.312 -2.051 1.00 0.55 H new ATOM 0 HD3 PRO A 108 15.399 -4.251 -0.943 1.00 0.55 H new ATOM 1482 N ASP A 109 14.711 0.122 -3.036 1.00 0.46 N ATOM 1483 CA ASP A 109 14.538 1.229 -3.978 1.00 0.50 C ATOM 1484 C ASP A 109 13.439 0.936 -4.999 1.00 0.41 C ATOM 1485 O ASP A 109 12.891 1.852 -5.608 1.00 0.44 O ATOM 1486 CB ASP A 109 15.854 1.546 -4.693 1.00 0.64 C ATOM 1487 CG ASP A 109 15.767 2.797 -5.549 1.00 1.56 C ATOM 1488 OD1 ASP A 109 15.834 3.914 -4.991 1.00 2.22 O ATOM 1489 OD2 ASP A 109 15.642 2.671 -6.786 1.00 2.37 O ATOM 0 H ASP A 109 15.598 -0.374 -3.126 1.00 0.46 H new ATOM 0 HA ASP A 109 14.233 2.101 -3.399 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.644 1.671 -3.953 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.135 0.700 -5.320 1.00 0.64 H new ATOM 1494 N GLU A 110 13.102 -0.335 -5.175 1.00 0.38 N ATOM 1495 CA GLU A 110 12.012 -0.704 -6.075 1.00 0.38 C ATOM 1496 C GLU A 110 10.688 -0.336 -5.414 1.00 0.36 C ATOM 1497 O GLU A 110 9.763 0.135 -6.067 1.00 0.42 O ATOM 1498 CB GLU A 110 12.050 -2.203 -6.421 1.00 0.43 C ATOM 1499 CG GLU A 110 10.922 -2.663 -7.328 1.00 0.68 C ATOM 1500 CD GLU A 110 11.046 -2.139 -8.746 1.00 1.32 C ATOM 1501 OE1 GLU A 110 12.125 -2.303 -9.352 1.00 2.01 O ATOM 1502 OE2 GLU A 110 10.058 -1.599 -9.278 1.00 2.12 O ATOM 0 H GLU A 110 13.560 -1.121 -4.714 1.00 0.38 H new ATOM 0 HA GLU A 110 12.123 -0.158 -7.012 1.00 0.38 H new ATOM 0 HB2 GLU A 110 13.002 -2.429 -6.901 1.00 0.43 H new ATOM 0 HB3 GLU A 110 12.015 -2.779 -5.496 1.00 0.43 H new ATOM 0 HG2 GLU A 110 10.903 -3.753 -7.350 1.00 0.68 H new ATOM 0 HG3 GLU A 110 9.970 -2.336 -6.908 1.00 0.68 H new ATOM 1509 N ALA A 111 10.626 -0.525 -4.101 1.00 0.33 N ATOM 1510 CA ALA A 111 9.462 -0.122 -3.323 1.00 0.35 C ATOM 1511 C ALA A 111 9.375 1.398 -3.258 1.00 0.34 C ATOM 1512 O ALA A 111 8.312 1.981 -3.472 1.00 0.41 O ATOM 1513 CB ALA A 111 9.526 -0.717 -1.923 1.00 0.38 C ATOM 0 H ALA A 111 11.370 -0.956 -3.552 1.00 0.33 H new ATOM 0 HA ALA A 111 8.565 -0.500 -3.813 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.649 -0.406 -1.355 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.548 -1.805 -1.991 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.427 -0.367 -1.420 1.00 0.38 H new ATOM 1519 N LYS A 112 10.513 2.032 -2.978 1.00 0.32 N ATOM 1520 CA LYS A 112 10.597 3.492 -2.928 1.00 0.34 C ATOM 1521 C LYS A 112 10.178 4.102 -4.264 1.00 0.37 C ATOM 1522 O LYS A 112 9.606 5.188 -4.308 1.00 0.42 O ATOM 1523 CB LYS A 112 12.024 3.928 -2.589 1.00 0.40 C ATOM 1524 CG LYS A 112 12.554 3.341 -1.289 1.00 0.48 C ATOM 1525 CD LYS A 112 14.039 3.622 -1.112 1.00 0.62 C ATOM 1526 CE LYS A 112 14.305 5.082 -0.801 1.00 1.11 C ATOM 1527 NZ LYS A 112 13.825 5.451 0.554 1.00 1.51 N ATOM 0 H LYS A 112 11.393 1.556 -2.782 1.00 0.32 H new ATOM 0 HA LYS A 112 9.919 3.846 -2.152 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.686 3.637 -3.405 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.056 5.016 -2.525 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.001 3.760 -0.448 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.383 2.265 -1.279 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.432 3.002 -0.307 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.572 3.341 -2.020 1.00 0.62 H new ATOM 0 HE2 LYS A 112 15.374 5.281 -0.875 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.812 5.708 -1.545 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 13.642 6.474 0.591 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 12.947 4.934 0.764 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 14.549 5.204 1.258 1.00 1.51 H new ATOM 1541 N ARG A 113 10.468 3.380 -5.340 1.00 0.38 N ATOM 1542 CA ARG A 113 10.135 3.802 -6.697 1.00 0.46 C ATOM 1543 C ARG A 113 8.644 4.085 -6.859 1.00 0.43 C ATOM 1544 O ARG A 113 8.250 5.195 -7.226 1.00 0.50 O ATOM 1545 CB ARG A 113 10.559 2.709 -7.678 1.00 0.57 C ATOM 1546 CG ARG A 113 10.052 2.903 -9.096 1.00 0.77 C ATOM 1547 CD ARG A 113 10.353 1.679 -9.945 1.00 1.01 C ATOM 1548 NE ARG A 113 9.920 1.842 -11.330 1.00 1.68 N ATOM 1549 CZ ARG A 113 9.820 0.838 -12.198 1.00 2.13 C ATOM 1550 NH1 ARG A 113 10.010 -0.417 -11.801 1.00 1.97 N ATOM 1551 NH2 ARG A 113 9.488 1.084 -13.457 1.00 2.96 N ATOM 0 H ARG A 113 10.944 2.479 -5.296 1.00 0.38 H new ATOM 0 HA ARG A 113 10.669 4.730 -6.903 1.00 0.46 H new ATOM 0 HB2 ARG A 113 11.648 2.660 -7.699 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.203 1.748 -7.307 1.00 0.57 H new ATOM 0 HG2 ARG A 113 8.978 3.087 -9.082 1.00 0.77 H new ATOM 0 HG3 ARG A 113 10.520 3.783 -9.538 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.424 1.480 -9.923 1.00 1.01 H new ATOM 0 HD3 ARG A 113 9.858 0.809 -9.512 1.00 1.01 H new ATOM 0 HE ARG A 113 9.680 2.780 -11.651 1.00 1.68 H new ATOM 0 HH11 ARG A 113 10.234 -0.615 -10.826 1.00 1.97 H new ATOM 0 HH12 ARG A 113 9.932 -1.181 -12.472 1.00 1.97 H new ATOM 0 HH21 ARG A 113 9.310 2.042 -13.760 1.00 2.96 H new ATOM 0 HH22 ARG A 113 9.411 0.316 -14.124 1.00 2.96 H new ATOM 1565 N TRP A 114 7.820 3.085 -6.573 1.00 0.39 N ATOM 1566 CA TRP A 114 6.383 3.197 -6.783 1.00 0.39 C ATOM 1567 C TRP A 114 5.769 4.201 -5.818 1.00 0.40 C ATOM 1568 O TRP A 114 4.796 4.878 -6.140 1.00 0.46 O ATOM 1569 CB TRP A 114 5.719 1.826 -6.648 1.00 0.38 C ATOM 1570 CG TRP A 114 6.253 0.838 -7.638 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.191 -0.124 -7.415 1.00 0.34 C ATOM 1572 CD2 TRP A 114 5.895 0.735 -9.020 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.446 -0.814 -8.572 1.00 0.40 N ATOM 1574 CE2 TRP A 114 6.660 -0.309 -9.571 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.002 1.424 -9.843 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.559 -0.677 -10.910 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 4.902 1.056 -11.170 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.676 0.015 -11.692 1.00 1.25 C ATOM 0 H TRP A 114 8.123 2.187 -6.195 1.00 0.39 H new ATOM 0 HA TRP A 114 6.209 3.563 -7.795 1.00 0.39 H new ATOM 0 HB2 TRP A 114 5.875 1.446 -5.638 1.00 0.38 H new ATOM 0 HB3 TRP A 114 4.643 1.930 -6.786 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.665 -0.316 -6.464 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.113 -1.579 -8.672 1.00 0.40 H new ATOM 0 HE3 TRP A 114 4.401 2.230 -9.449 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.156 -1.480 -11.316 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.214 1.581 -11.816 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.574 -0.248 -12.735 1.00 1.25 H new ATOM 1589 N ILE A 115 6.362 4.317 -4.640 1.00 0.38 N ATOM 1590 CA ILE A 115 5.916 5.300 -3.664 1.00 0.41 C ATOM 1591 C ILE A 115 6.243 6.710 -4.159 1.00 0.47 C ATOM 1592 O ILE A 115 5.510 7.666 -3.899 1.00 0.55 O ATOM 1593 CB ILE A 115 6.572 5.062 -2.283 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.240 3.654 -1.775 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.118 6.112 -1.277 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.889 3.315 -0.448 1.00 0.44 C ATOM 0 H ILE A 115 7.150 3.745 -4.337 1.00 0.38 H new ATOM 0 HA ILE A 115 4.837 5.194 -3.548 1.00 0.41 H new ATOM 0 HB ILE A 115 7.653 5.149 -2.397 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.159 3.559 -1.675 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.556 2.925 -2.521 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.593 5.923 -0.314 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.401 7.103 -1.633 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.035 6.063 -1.163 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.608 2.304 -0.153 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.973 3.376 -0.547 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.554 4.021 0.312 1.00 0.44 H new ATOM 1608 N LYS A 116 7.331 6.814 -4.912 1.00 0.50 N ATOM 1609 CA LYS A 116 7.806 8.089 -5.425 1.00 0.60 C ATOM 1610 C LYS A 116 6.933 8.573 -6.578 1.00 0.57 C ATOM 1611 O LYS A 116 6.377 9.667 -6.525 1.00 0.69 O ATOM 1612 CB LYS A 116 9.252 7.950 -5.903 1.00 0.73 C ATOM 1613 CG LYS A 116 9.885 9.252 -6.370 1.00 1.18 C ATOM 1614 CD LYS A 116 11.198 9.003 -7.101 1.00 1.85 C ATOM 1615 CE LYS A 116 12.184 8.219 -6.247 1.00 2.50 C ATOM 1616 NZ LYS A 116 13.399 7.833 -7.011 1.00 3.13 N ATOM 0 H LYS A 116 7.907 6.017 -5.183 1.00 0.50 H new ATOM 0 HA LYS A 116 7.754 8.821 -4.619 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.852 7.538 -5.092 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.284 7.230 -6.721 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.194 9.778 -7.029 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.062 9.900 -5.512 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.002 8.456 -8.023 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.642 9.957 -7.385 1.00 1.85 H new ATOM 0 HE2 LYS A 116 12.474 8.819 -5.385 1.00 2.50 H new ATOM 0 HE3 LYS A 116 11.698 7.323 -5.863 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 14.044 7.301 -6.392 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 13.126 7.239 -7.820 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 13.878 8.689 -7.356 1.00 3.13 H new ATOM 1630 N GLU A 117 6.794 7.748 -7.607 1.00 0.53 N ATOM 1631 CA GLU A 117 6.099 8.161 -8.822 1.00 0.58 C ATOM 1632 C GLU A 117 4.614 8.424 -8.569 1.00 0.57 C ATOM 1633 O GLU A 117 4.002 9.247 -9.250 1.00 0.66 O ATOM 1634 CB GLU A 117 6.284 7.122 -9.938 1.00 0.70 C ATOM 1635 CG GLU A 117 5.795 5.726 -9.589 1.00 1.28 C ATOM 1636 CD GLU A 117 6.001 4.747 -10.726 1.00 1.51 C ATOM 1637 OE1 GLU A 117 5.052 4.528 -11.510 1.00 2.14 O ATOM 1638 OE2 GLU A 117 7.120 4.212 -10.862 1.00 1.93 O ATOM 0 H GLU A 117 7.151 6.793 -7.627 1.00 0.53 H new ATOM 0 HA GLU A 117 6.546 9.101 -9.146 1.00 0.58 H new ATOM 0 HB2 GLU A 117 5.757 7.466 -10.828 1.00 0.70 H new ATOM 0 HB3 GLU A 117 7.342 7.069 -10.195 1.00 0.70 H new ATOM 0 HG2 GLU A 117 6.322 5.369 -8.704 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.736 5.767 -9.334 1.00 1.28 H new ATOM 1645 N PHE A 118 4.041 7.747 -7.583 1.00 0.56 N ATOM 1646 CA PHE A 118 2.634 7.943 -7.248 1.00 0.66 C ATOM 1647 C PHE A 118 2.416 9.231 -6.456 1.00 0.73 C ATOM 1648 O PHE A 118 1.320 9.794 -6.466 1.00 0.88 O ATOM 1649 CB PHE A 118 2.101 6.751 -6.457 1.00 0.73 C ATOM 1650 CG PHE A 118 1.584 5.627 -7.308 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.451 4.743 -7.926 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.221 5.451 -7.479 1.00 1.27 C ATOM 1653 CE1 PHE A 118 1.969 3.705 -8.697 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.266 4.415 -8.250 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.610 3.541 -8.859 1.00 1.41 C ATOM 0 H PHE A 118 4.524 7.061 -7.003 1.00 0.56 H new ATOM 0 HA PHE A 118 2.085 8.027 -8.186 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.896 6.370 -5.816 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.300 7.093 -5.802 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.517 4.867 -7.804 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.469 6.132 -7.003 1.00 1.27 H new ATOM 0 HE1 PHE A 118 2.656 3.021 -9.173 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.331 4.289 -8.376 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.232 2.729 -9.462 1.00 1.41 H new ATOM 1665 N SER A 119 3.447 9.688 -5.757 1.00 0.69 N ATOM 1666 CA SER A 119 3.343 10.918 -4.984 1.00 0.80 C ATOM 1667 C SER A 119 3.759 12.127 -5.815 1.00 0.79 C ATOM 1668 O SER A 119 3.198 13.216 -5.667 1.00 0.90 O ATOM 1669 CB SER A 119 4.180 10.827 -3.706 1.00 0.93 C ATOM 1670 OG SER A 119 5.477 10.322 -3.966 1.00 1.20 O ATOM 0 H SER A 119 4.357 9.230 -5.709 1.00 0.69 H new ATOM 0 HA SER A 119 2.298 11.048 -4.702 1.00 0.80 H new ATOM 0 HB2 SER A 119 4.258 11.814 -3.251 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.676 10.183 -2.986 1.00 0.93 H new ATOM 0 HG SER A 119 5.502 9.364 -3.763 1.00 1.20 H new ATOM 1676 N GLU A 120 4.746 11.936 -6.681 1.00 0.81 N ATOM 1677 CA GLU A 120 5.218 13.007 -7.548 1.00 0.96 C ATOM 1678 C GLU A 120 4.208 13.294 -8.653 1.00 1.17 C ATOM 1679 O GLU A 120 3.911 14.453 -8.951 1.00 1.50 O ATOM 1680 CB GLU A 120 6.574 12.648 -8.156 1.00 1.08 C ATOM 1681 CG GLU A 120 7.694 12.514 -7.136 1.00 1.41 C ATOM 1682 CD GLU A 120 7.899 13.777 -6.328 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.544 13.787 -5.131 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.414 14.771 -6.887 1.00 2.77 O ATOM 0 H GLU A 120 5.235 11.049 -6.801 1.00 0.81 H new ATOM 0 HA GLU A 120 5.333 13.906 -6.942 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.479 11.709 -8.701 1.00 1.08 H new ATOM 0 HB3 GLU A 120 6.848 13.412 -8.883 1.00 1.08 H new ATOM 0 HG2 GLU A 120 7.469 11.688 -6.461 1.00 1.41 H new ATOM 0 HG3 GLU A 120 8.621 12.262 -7.651 1.00 1.41 H new ATOM 1691 N GLU A 121 3.677 12.238 -9.254 1.00 1.22 N ATOM 1692 CA GLU A 121 2.714 12.386 -10.331 1.00 1.56 C ATOM 1693 C GLU A 121 1.295 12.234 -9.796 1.00 2.02 C ATOM 1694 O GLU A 121 0.712 11.139 -9.931 1.00 2.60 O ATOM 1695 CB GLU A 121 2.974 11.365 -11.447 1.00 1.96 C ATOM 1696 CG GLU A 121 4.110 11.742 -12.394 1.00 2.47 C ATOM 1697 CD GLU A 121 5.485 11.722 -11.751 1.00 3.35 C ATOM 1698 OE1 GLU A 121 5.944 12.783 -11.282 1.00 4.00 O ATOM 1699 OE2 GLU A 121 6.129 10.651 -11.743 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.766 13.216 -9.231 1.00 2.53 O ATOM 0 H GLU A 121 3.898 11.272 -9.013 1.00 1.22 H new ATOM 0 HA GLU A 121 2.828 13.385 -10.752 1.00 1.56 H new ATOM 0 HB2 GLU A 121 3.200 10.400 -10.994 1.00 1.96 H new ATOM 0 HB3 GLU A 121 2.060 11.239 -12.027 1.00 1.96 H new ATOM 0 HG2 GLU A 121 4.106 11.055 -13.240 1.00 2.47 H new ATOM 0 HG3 GLU A 121 3.921 12.739 -12.792 1.00 2.47 H new TER 1707 GLU A 121