USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 5:sc= 0.145 USER MOD Set 1.2: A 28 SER OG : rot 160:sc= -0.809 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 25 CYS SG : rot -90:sc= -1.62 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 161:sc= -0.0011 (180deg=-0.481) USER MOD Single : A 34 SER OG : rot 140:sc= -0.03 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 51 ASN : amide:sc= -0.237 X(o=-0.24,f=0.094) USER MOD Single : A 54 ASN : amide:sc= -0.0976 K(o=-0.098,f=-2.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 60 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc=-3.23e-05 (180deg=-0.0514) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -169:sc= 1.12 USER MOD Single : A 71 SER OG : rot 64:sc= 0.147 USER MOD Single : A 75 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.9) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 1.816 -1.701 -14.466 1.00 0.00 N ATOM 42 CA VAL A 3 2.676 -1.492 -13.304 1.00 0.00 C ATOM 43 C VAL A 3 2.597 -0.043 -12.807 1.00 0.00 C ATOM 44 O VAL A 3 3.142 0.872 -13.426 1.00 0.00 O ATOM 45 CB VAL A 3 4.149 -1.873 -13.607 1.00 0.00 C ATOM 46 CG1 VAL A 3 4.722 -1.034 -14.740 1.00 0.00 C ATOM 47 CG2 VAL A 3 5.007 -1.753 -12.354 1.00 0.00 C ATOM 0 HA VAL A 3 2.310 -2.150 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 3 4.161 -2.913 -13.932 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.755 -1.329 -14.924 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.133 -1.192 -15.643 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.689 0.020 -14.465 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.036 -2.025 -12.590 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.978 -0.726 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.622 -2.422 -11.584 1.00 0.00 H new ATOM 57 N ARG A 4 1.901 0.154 -11.686 1.00 0.00 N ATOM 58 CA ARG A 4 1.738 1.480 -11.103 1.00 0.00 C ATOM 59 C ARG A 4 2.442 1.569 -9.747 1.00 0.00 C ATOM 60 O ARG A 4 2.391 0.630 -8.952 1.00 0.00 O ATOM 61 CB ARG A 4 0.247 1.796 -10.949 1.00 0.00 C ATOM 62 CG ARG A 4 -0.036 3.162 -10.351 1.00 0.00 C ATOM 63 CD ARG A 4 -0.064 4.248 -11.417 1.00 0.00 C ATOM 64 NE ARG A 4 -0.884 5.391 -11.014 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.371 6.300 -11.864 1.00 0.00 C ATOM 66 NH1 ARG A 4 -1.108 6.219 -13.167 1.00 0.00 N ATOM 67 NH2 ARG A 4 -2.121 7.296 -11.408 1.00 0.00 N ATOM 0 H ARG A 4 1.441 -0.593 -11.165 1.00 0.00 H new ATOM 0 HA ARG A 4 2.194 2.213 -11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.230 1.733 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.213 1.033 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.993 3.140 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.726 3.400 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.953 4.585 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.453 3.833 -12.347 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.097 5.501 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.530 5.458 -13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.484 6.918 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.324 7.366 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.494 7.991 -12.055 1.00 0.00 H new ATOM 81 N SER A 5 3.101 2.700 -9.493 1.00 0.00 N ATOM 82 CA SER A 5 3.817 2.909 -8.235 1.00 0.00 C ATOM 83 C SER A 5 3.199 4.054 -7.431 1.00 0.00 C ATOM 84 O SER A 5 2.962 5.139 -7.969 1.00 0.00 O ATOM 85 CB SER A 5 5.300 3.209 -8.496 1.00 0.00 C ATOM 86 OG SER A 5 5.735 2.654 -9.728 1.00 0.00 O ATOM 0 H SER A 5 3.154 3.485 -10.142 1.00 0.00 H new ATOM 0 HA SER A 5 3.734 1.989 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.458 4.287 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.902 2.806 -7.682 1.00 0.00 H new ATOM 0 HG SER A 5 6.682 2.864 -9.865 1.00 0.00 H new ATOM 92 N VAL A 6 2.943 3.810 -6.144 1.00 0.00 N ATOM 93 CA VAL A 6 2.363 4.827 -5.267 1.00 0.00 C ATOM 94 C VAL A 6 3.287 5.116 -4.085 1.00 0.00 C ATOM 95 O VAL A 6 3.772 4.194 -3.425 1.00 0.00 O ATOM 96 CB VAL A 6 0.970 4.406 -4.736 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.317 5.547 -3.961 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.073 3.950 -5.880 1.00 0.00 C ATOM 0 H VAL A 6 3.128 2.917 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 6 2.245 5.729 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 6 1.107 3.567 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.660 5.228 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.947 5.819 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.197 6.410 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.900 3.659 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.053 4.766 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.530 3.098 -6.383 1.00 0.00 H new ATOM 108 N GLU A 7 3.531 6.402 -3.830 1.00 0.00 N ATOM 109 CA GLU A 7 4.404 6.825 -2.735 1.00 0.00 C ATOM 110 C GLU A 7 3.627 7.631 -1.695 1.00 0.00 C ATOM 111 O GLU A 7 3.137 8.723 -1.988 1.00 0.00 O ATOM 112 CB GLU A 7 5.565 7.664 -3.279 1.00 0.00 C ATOM 113 CG GLU A 7 6.242 7.058 -4.503 1.00 0.00 C ATOM 114 CD GLU A 7 7.602 7.670 -4.792 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.746 8.901 -4.648 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.523 6.912 -5.162 1.00 0.00 O ATOM 0 H GLU A 7 3.134 7.171 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 7 4.800 5.931 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.195 8.657 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.308 7.793 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.357 5.984 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.597 7.192 -5.372 1.00 0.00 H new ATOM 123 N VAL A 8 3.519 7.091 -0.479 1.00 0.00 N ATOM 124 CA VAL A 8 2.798 7.769 0.599 1.00 0.00 C ATOM 125 C VAL A 8 3.757 8.300 1.665 1.00 0.00 C ATOM 126 O VAL A 8 4.718 7.627 2.040 1.00 0.00 O ATOM 127 CB VAL A 8 1.762 6.840 1.271 1.00 0.00 C ATOM 128 CG1 VAL A 8 0.841 7.639 2.182 1.00 0.00 C ATOM 129 CG2 VAL A 8 0.954 6.085 0.224 1.00 0.00 C ATOM 0 H VAL A 8 3.920 6.190 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 8 2.274 8.606 0.138 1.00 0.00 H new ATOM 0 HB VAL A 8 2.300 6.111 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.118 6.969 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.431 8.129 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.314 8.392 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.231 5.437 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.427 6.797 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.624 5.480 -0.386 1.00 0.00 H new ATOM 139 N ALA A 9 3.485 9.515 2.146 1.00 0.00 N ATOM 140 CA ALA A 9 4.308 10.153 3.165 1.00 0.00 C ATOM 141 C ALA A 9 3.784 9.861 4.566 1.00 0.00 C ATOM 142 O ALA A 9 2.909 10.566 5.073 1.00 0.00 O ATOM 143 CB ALA A 9 4.363 11.657 2.934 1.00 0.00 C ATOM 0 H ALA A 9 2.692 10.078 1.840 1.00 0.00 H new ATOM 0 HA ALA A 9 5.314 9.740 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.981 12.121 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.792 11.859 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.355 12.069 2.981 1.00 0.00 H new ATOM 149 N ARG A 10 4.332 8.819 5.188 1.00 0.00 N ATOM 150 CA ARG A 10 3.937 8.426 6.539 1.00 0.00 C ATOM 151 C ARG A 10 4.007 9.626 7.487 1.00 0.00 C ATOM 152 O ARG A 10 5.037 10.296 7.576 1.00 0.00 O ATOM 153 CB ARG A 10 4.840 7.301 7.059 1.00 0.00 C ATOM 154 CG ARG A 10 4.221 6.496 8.192 1.00 0.00 C ATOM 155 CD ARG A 10 5.133 5.361 8.630 1.00 0.00 C ATOM 156 NE ARG A 10 5.130 5.177 10.081 1.00 0.00 N ATOM 157 CZ ARG A 10 5.730 6.003 10.944 1.00 0.00 C ATOM 158 NH1 ARG A 10 6.346 7.102 10.514 1.00 0.00 N ATOM 159 NH2 ARG A 10 5.705 5.731 12.244 1.00 0.00 N ATOM 0 H ARG A 10 5.055 8.229 4.775 1.00 0.00 H new ATOM 0 HA ARG A 10 2.910 8.064 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.079 6.628 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.781 7.731 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.022 7.152 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.262 6.090 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.816 4.436 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.150 5.564 8.294 1.00 0.00 H new ATOM 0 HE ARG A 10 4.639 4.367 10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.363 7.320 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.801 7.726 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.229 4.894 12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.162 6.359 12.905 1.00 0.00 H new ATOM 173 N GLY A 11 2.903 9.890 8.181 1.00 0.00 N ATOM 174 CA GLY A 11 2.851 11.010 9.107 1.00 0.00 C ATOM 175 C GLY A 11 3.707 10.790 10.340 1.00 0.00 C ATOM 176 O GLY A 11 4.936 10.742 10.249 1.00 0.00 O ATOM 0 H GLY A 11 2.042 9.347 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.182 11.914 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.818 11.176 9.412 1.00 0.00 H new ATOM 180 N ARG A 12 3.060 10.652 11.497 1.00 0.00 N ATOM 181 CA ARG A 12 3.778 10.432 12.753 1.00 0.00 C ATOM 182 C ARG A 12 3.537 9.024 13.291 1.00 0.00 C ATOM 183 O ARG A 12 4.459 8.384 13.805 1.00 0.00 O ATOM 184 CB ARG A 12 3.396 11.490 13.797 1.00 0.00 C ATOM 185 CG ARG A 12 1.919 11.518 14.159 1.00 0.00 C ATOM 186 CD ARG A 12 1.693 12.202 15.498 1.00 0.00 C ATOM 187 NE ARG A 12 0.864 11.396 16.393 1.00 0.00 N ATOM 188 CZ ARG A 12 -0.465 11.299 16.300 1.00 0.00 C ATOM 189 NH1 ARG A 12 -1.126 11.953 15.346 1.00 0.00 N ATOM 190 NH2 ARG A 12 -1.134 10.541 17.162 1.00 0.00 N ATOM 0 H ARG A 12 2.045 10.688 11.591 1.00 0.00 H new ATOM 0 HA ARG A 12 4.844 10.530 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.975 11.313 14.703 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.683 12.472 13.422 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.361 12.041 13.382 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.532 10.500 14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.655 12.397 15.972 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.216 13.169 15.335 1.00 0.00 H new ATOM 0 HE ARG A 12 1.330 10.875 17.136 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.617 12.533 14.679 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.141 11.873 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.633 10.035 17.892 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.149 10.465 17.094 1.00 0.00 H new ATOM 204 N ALA A 13 2.303 8.539 13.166 1.00 0.00 N ATOM 205 CA ALA A 13 1.953 7.203 13.634 1.00 0.00 C ATOM 206 C ALA A 13 1.033 6.486 12.638 1.00 0.00 C ATOM 207 O ALA A 13 0.148 5.723 13.034 1.00 0.00 O ATOM 208 CB ALA A 13 1.304 7.280 15.010 1.00 0.00 C ATOM 0 H ALA A 13 1.530 9.053 12.744 1.00 0.00 H new ATOM 0 HA ALA A 13 2.871 6.620 13.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.047 6.276 15.348 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.000 7.734 15.716 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.400 7.886 14.952 1.00 0.00 H new ATOM 214 N GLY A 14 1.248 6.733 11.341 1.00 0.00 N ATOM 215 CA GLY A 14 0.431 6.102 10.313 1.00 0.00 C ATOM 216 C GLY A 14 0.483 6.842 8.984 1.00 0.00 C ATOM 217 O GLY A 14 1.296 7.751 8.809 1.00 0.00 O ATOM 0 H GLY A 14 1.972 7.358 10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.768 5.076 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.602 6.052 10.656 1.00 0.00 H new ATOM 221 N TYR A 15 -0.386 6.447 8.050 1.00 0.00 N ATOM 222 CA TYR A 15 -0.440 7.077 6.727 1.00 0.00 C ATOM 223 C TYR A 15 -1.802 7.720 6.478 1.00 0.00 C ATOM 224 O TYR A 15 -1.921 8.944 6.417 1.00 0.00 O ATOM 225 CB TYR A 15 -0.157 6.048 5.626 1.00 0.00 C ATOM 226 CG TYR A 15 1.223 5.436 5.679 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.517 4.411 6.570 1.00 0.00 C ATOM 228 CD2 TYR A 15 2.231 5.875 4.830 1.00 0.00 C ATOM 229 CE1 TYR A 15 2.775 3.845 6.612 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.490 5.312 4.863 1.00 0.00 C ATOM 231 CZ TYR A 15 3.758 4.296 5.755 1.00 0.00 C ATOM 232 OH TYR A 15 5.012 3.730 5.792 1.00 0.00 O ATOM 0 H TYR A 15 -1.061 5.695 8.185 1.00 0.00 H new ATOM 0 HA TYR A 15 0.326 7.853 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.897 5.250 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.291 6.527 4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.750 4.052 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.025 6.672 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.989 3.052 7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.261 5.665 4.194 1.00 0.00 H new ATOM 0 HH TYR A 15 5.585 4.161 5.124 1.00 0.00 H new ATOM 242 N GLY A 16 -2.821 6.877 6.322 1.00 0.00 N ATOM 243 CA GLY A 16 -4.168 7.360 6.067 1.00 0.00 C ATOM 244 C GLY A 16 -4.911 6.494 5.066 1.00 0.00 C ATOM 245 O GLY A 16 -5.446 6.997 4.076 1.00 0.00 O ATOM 0 H GLY A 16 -2.736 5.862 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.725 7.388 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.120 8.383 5.694 1.00 0.00 H new ATOM 249 N PHE A 17 -4.943 5.189 5.328 1.00 0.00 N ATOM 250 CA PHE A 17 -5.626 4.241 4.451 1.00 0.00 C ATOM 251 C PHE A 17 -5.875 2.913 5.169 1.00 0.00 C ATOM 252 O PHE A 17 -5.166 2.571 6.117 1.00 0.00 O ATOM 253 CB PHE A 17 -4.816 4.008 3.165 1.00 0.00 C ATOM 254 CG PHE A 17 -3.478 3.357 3.385 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.361 1.976 3.429 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.335 4.125 3.549 1.00 0.00 C ATOM 257 CE1 PHE A 17 -2.132 1.374 3.629 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.104 3.528 3.750 1.00 0.00 C ATOM 259 CZ PHE A 17 -1.003 2.152 3.792 1.00 0.00 C ATOM 0 H PHE A 17 -4.502 4.763 6.143 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.590 4.671 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.402 3.387 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.663 4.966 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.241 1.362 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.407 5.202 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.056 0.297 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.222 4.138 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.043 1.685 3.952 1.00 0.00 H new ATOM 269 N THR A 18 -6.886 2.173 4.713 1.00 0.00 N ATOM 270 CA THR A 18 -7.229 0.886 5.314 1.00 0.00 C ATOM 271 C THR A 18 -6.589 -0.263 4.543 1.00 0.00 C ATOM 272 O THR A 18 -6.713 -0.350 3.318 1.00 0.00 O ATOM 273 CB THR A 18 -8.753 0.695 5.367 1.00 0.00 C ATOM 274 OG1 THR A 18 -9.423 1.945 5.442 1.00 0.00 O ATOM 275 CG2 THR A 18 -9.208 -0.141 6.546 1.00 0.00 C ATOM 0 H THR A 18 -7.481 2.443 3.930 1.00 0.00 H new ATOM 0 HA THR A 18 -6.840 0.883 6.332 1.00 0.00 H new ATOM 0 HB THR A 18 -9.007 0.171 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.391 1.796 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.293 -0.238 6.526 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.754 -1.130 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.904 0.343 7.474 1.00 0.00 H new ATOM 283 N LEU A 19 -5.905 -1.142 5.272 1.00 0.00 N ATOM 284 CA LEU A 19 -5.239 -2.294 4.668 1.00 0.00 C ATOM 285 C LEU A 19 -5.841 -3.598 5.172 1.00 0.00 C ATOM 286 O LEU A 19 -5.878 -3.850 6.379 1.00 0.00 O ATOM 287 CB LEU A 19 -3.741 -2.273 4.990 1.00 0.00 C ATOM 288 CG LEU A 19 -2.801 -2.352 3.783 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.353 -2.427 4.249 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.146 -3.552 2.909 1.00 0.00 C ATOM 0 H LEU A 19 -5.797 -1.078 6.284 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.382 -2.232 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.519 -1.359 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.519 -3.108 5.655 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.928 -1.450 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.694 -2.483 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.112 -1.538 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.215 -3.314 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.466 -3.589 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.047 -4.467 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.171 -3.459 2.551 1.00 0.00 H new ATOM 302 N SER A 20 -6.289 -4.431 4.242 1.00 0.00 N ATOM 303 CA SER A 20 -6.870 -5.727 4.577 1.00 0.00 C ATOM 304 C SER A 20 -6.576 -6.734 3.476 1.00 0.00 C ATOM 305 O SER A 20 -7.031 -6.577 2.342 1.00 0.00 O ATOM 306 CB SER A 20 -8.381 -5.627 4.788 1.00 0.00 C ATOM 307 OG SER A 20 -8.694 -4.954 5.999 1.00 0.00 O ATOM 0 H SER A 20 -6.261 -4.231 3.242 1.00 0.00 H new ATOM 0 HA SER A 20 -6.416 -6.060 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.832 -5.097 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.814 -6.627 4.804 1.00 0.00 H new ATOM 0 HG SER A 20 -7.870 -4.619 6.410 1.00 0.00 H new ATOM 313 N GLY A 21 -5.808 -7.761 3.814 1.00 0.00 N ATOM 314 CA GLY A 21 -5.462 -8.772 2.839 1.00 0.00 C ATOM 315 C GLY A 21 -4.833 -9.990 3.469 1.00 0.00 C ATOM 316 O GLY A 21 -3.609 -10.113 3.501 1.00 0.00 O ATOM 0 H GLY A 21 -5.420 -7.911 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.359 -9.070 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.773 -8.348 2.109 1.00 0.00 H new ATOM 320 N GLN A 22 -5.677 -10.895 3.967 1.00 0.00 N ATOM 321 CA GLN A 22 -5.198 -12.127 4.600 1.00 0.00 C ATOM 322 C GLN A 22 -4.131 -12.791 3.730 1.00 0.00 C ATOM 323 O GLN A 22 -3.096 -13.239 4.227 1.00 0.00 O ATOM 324 CB GLN A 22 -6.357 -13.101 4.843 1.00 0.00 C ATOM 325 CG GLN A 22 -6.283 -13.808 6.187 1.00 0.00 C ATOM 326 CD GLN A 22 -5.119 -14.779 6.264 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.223 -15.924 5.831 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.999 -14.320 6.814 1.00 0.00 N ATOM 0 H GLN A 22 -6.692 -10.800 3.945 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.759 -11.865 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.299 -12.556 4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.367 -13.847 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.188 -13.067 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.214 -14.346 6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.957 -13.362 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.182 -14.926 6.889 1.00 0.00 H new ATOM 337 N ALA A 23 -4.391 -12.822 2.424 1.00 0.00 N ATOM 338 CA ALA A 23 -3.459 -13.397 1.460 1.00 0.00 C ATOM 339 C ALA A 23 -3.050 -12.349 0.420 1.00 0.00 C ATOM 340 O ALA A 23 -1.892 -11.930 0.389 1.00 0.00 O ATOM 341 CB ALA A 23 -4.060 -14.630 0.795 1.00 0.00 C ATOM 0 H ALA A 23 -5.246 -12.452 2.009 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.562 -13.712 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.347 -15.042 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.286 -15.379 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.977 -14.352 0.274 1.00 0.00 H new ATOM 347 N PRO A 24 -3.995 -11.892 -0.436 1.00 0.00 N ATOM 348 CA PRO A 24 -3.710 -10.882 -1.453 1.00 0.00 C ATOM 349 C PRO A 24 -3.823 -9.460 -0.903 1.00 0.00 C ATOM 350 O PRO A 24 -4.914 -8.887 -0.853 1.00 0.00 O ATOM 351 CB PRO A 24 -4.790 -11.148 -2.499 1.00 0.00 C ATOM 352 CG PRO A 24 -5.963 -11.636 -1.713 1.00 0.00 C ATOM 353 CD PRO A 24 -5.413 -12.309 -0.475 1.00 0.00 C ATOM 0 HA PRO A 24 -2.693 -10.949 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.034 -10.243 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.463 -11.891 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.619 -10.808 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.558 -12.335 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.946 -11.992 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.508 -13.393 -0.535 1.00 0.00 H new ATOM 361 N CYS A 25 -2.688 -8.901 -0.484 1.00 0.00 N ATOM 362 CA CYS A 25 -2.655 -7.545 0.068 1.00 0.00 C ATOM 363 C CYS A 25 -3.338 -6.557 -0.877 1.00 0.00 C ATOM 364 O CYS A 25 -2.901 -6.368 -2.013 1.00 0.00 O ATOM 365 CB CYS A 25 -1.209 -7.111 0.329 1.00 0.00 C ATOM 366 SG CYS A 25 -0.583 -7.564 1.965 1.00 0.00 S ATOM 0 H CYS A 25 -1.780 -9.365 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.198 -7.549 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.565 -7.556 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.139 -6.030 0.212 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.832 -6.604 2.806 1.00 0.00 H new ATOM 372 N VAL A 26 -4.419 -5.937 -0.402 1.00 0.00 N ATOM 373 CA VAL A 26 -5.169 -4.979 -1.210 1.00 0.00 C ATOM 374 C VAL A 26 -5.653 -3.798 -0.368 1.00 0.00 C ATOM 375 O VAL A 26 -5.921 -3.942 0.827 1.00 0.00 O ATOM 376 CB VAL A 26 -6.382 -5.654 -1.892 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.370 -6.173 -0.855 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.065 -4.696 -2.857 1.00 0.00 C ATOM 0 H VAL A 26 -4.793 -6.082 0.536 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.489 -4.609 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.014 -6.506 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.214 -6.643 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.876 -6.905 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.728 -5.343 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.915 -5.194 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.413 -3.818 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.357 -4.389 -3.627 1.00 0.00 H new ATOM 388 N LEU A 27 -5.764 -2.630 -1.002 1.00 0.00 N ATOM 389 CA LEU A 27 -6.222 -1.427 -0.315 1.00 0.00 C ATOM 390 C LEU A 27 -7.743 -1.416 -0.201 1.00 0.00 C ATOM 391 O LEU A 27 -8.442 -0.939 -1.098 1.00 0.00 O ATOM 392 CB LEU A 27 -5.735 -0.172 -1.048 1.00 0.00 C ATOM 393 CG LEU A 27 -4.769 0.710 -0.253 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.762 1.367 -1.183 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.535 1.760 0.541 1.00 0.00 C ATOM 0 H LEU A 27 -5.543 -2.494 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.802 -1.429 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.246 -0.477 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.602 0.426 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.225 0.080 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.083 1.991 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.192 0.598 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.288 1.985 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.832 2.378 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.106 2.388 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.216 1.267 1.235 1.00 0.00 H new ATOM 407 N SER A 28 -8.247 -1.956 0.908 1.00 0.00 N ATOM 408 CA SER A 28 -9.690 -2.025 1.159 1.00 0.00 C ATOM 409 C SER A 28 -10.357 -0.664 0.971 1.00 0.00 C ATOM 410 O SER A 28 -11.410 -0.566 0.338 1.00 0.00 O ATOM 411 CB SER A 28 -9.968 -2.540 2.576 1.00 0.00 C ATOM 412 OG SER A 28 -8.776 -2.977 3.210 1.00 0.00 O ATOM 0 H SER A 28 -7.675 -2.355 1.652 1.00 0.00 H new ATOM 0 HA SER A 28 -10.112 -2.719 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.429 -1.749 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.682 -3.363 2.533 1.00 0.00 H new ATOM 0 HG SER A 28 -8.909 -2.994 4.181 1.00 0.00 H new ATOM 418 N CYS A 29 -9.738 0.377 1.523 1.00 0.00 N ATOM 419 CA CYS A 29 -10.268 1.735 1.417 1.00 0.00 C ATOM 420 C CYS A 29 -9.208 2.772 1.786 1.00 0.00 C ATOM 421 O CYS A 29 -8.234 2.460 2.471 1.00 0.00 O ATOM 422 CB CYS A 29 -11.495 1.901 2.318 1.00 0.00 C ATOM 423 SG CYS A 29 -12.646 3.185 1.774 1.00 0.00 S ATOM 0 H CYS A 29 -8.867 0.306 2.049 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.561 1.898 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.026 0.950 2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.161 2.133 3.329 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.649 3.246 2.598 1.00 0.00 H new ATOM 429 N VAL A 30 -9.409 4.006 1.329 1.00 0.00 N ATOM 430 CA VAL A 30 -8.481 5.097 1.610 1.00 0.00 C ATOM 431 C VAL A 30 -9.165 6.191 2.431 1.00 0.00 C ATOM 432 O VAL A 30 -10.388 6.337 2.380 1.00 0.00 O ATOM 433 CB VAL A 30 -7.913 5.713 0.309 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.703 6.585 0.610 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.554 4.624 -0.696 1.00 0.00 C ATOM 0 H VAL A 30 -10.211 4.275 0.759 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.655 4.675 2.183 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.686 6.341 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.319 7.008 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.994 7.391 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.927 5.981 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.157 5.082 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.802 3.963 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.446 4.047 -0.942 1.00 0.00 H new ATOM 445 N MET A 31 -8.373 6.958 3.178 1.00 0.00 N ATOM 446 CA MET A 31 -8.905 8.034 4.000 1.00 0.00 C ATOM 447 C MET A 31 -8.732 9.371 3.295 1.00 0.00 C ATOM 448 O MET A 31 -7.645 9.953 3.289 1.00 0.00 O ATOM 449 CB MET A 31 -8.222 8.079 5.369 1.00 0.00 C ATOM 450 CG MET A 31 -8.145 6.732 6.073 1.00 0.00 C ATOM 451 SD MET A 31 -9.426 6.525 7.327 1.00 0.00 S ATOM 452 CE MET A 31 -10.798 5.967 6.322 1.00 0.00 C ATOM 0 H MET A 31 -7.360 6.851 3.228 1.00 0.00 H new ATOM 0 HA MET A 31 -9.967 7.841 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.212 8.470 5.246 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.760 8.780 6.008 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.234 5.935 5.334 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.166 6.626 6.540 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.540 5.481 6.956 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.253 6.821 5.821 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.438 5.258 5.576 1.00 0.00 H new ATOM 462 N ARG A 32 -9.818 9.838 2.698 1.00 0.00 N ATOM 463 CA ARG A 32 -9.828 11.106 1.971 1.00 0.00 C ATOM 464 C ARG A 32 -9.271 12.236 2.836 1.00 0.00 C ATOM 465 O ARG A 32 -9.731 12.462 3.955 1.00 0.00 O ATOM 466 CB ARG A 32 -11.248 11.446 1.510 1.00 0.00 C ATOM 467 CG ARG A 32 -11.560 10.958 0.104 1.00 0.00 C ATOM 468 CD ARG A 32 -12.896 11.487 -0.393 1.00 0.00 C ATOM 469 NE ARG A 32 -13.839 10.409 -0.696 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.817 9.684 -1.819 1.00 0.00 C ATOM 471 NH1 ARG A 32 -12.884 9.901 -2.745 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.726 8.735 -2.013 1.00 0.00 N ATOM 0 H ARG A 32 -10.716 9.354 2.701 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.189 10.998 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.963 11.007 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.386 12.526 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.768 11.275 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.573 9.868 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.328 12.144 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.736 12.090 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.559 10.197 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.180 10.624 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.874 9.344 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.440 8.560 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.710 8.181 -2.869 1.00 0.00 H new ATOM 486 N GLY A 33 -8.272 12.933 2.303 1.00 0.00 N ATOM 487 CA GLY A 33 -7.648 14.029 3.030 1.00 0.00 C ATOM 488 C GLY A 33 -6.349 13.619 3.708 1.00 0.00 C ATOM 489 O GLY A 33 -5.926 14.248 4.678 1.00 0.00 O ATOM 0 H GLY A 33 -7.881 12.759 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.450 14.850 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.343 14.403 3.782 1.00 0.00 H new ATOM 493 N SER A 34 -5.713 12.564 3.192 1.00 0.00 N ATOM 494 CA SER A 34 -4.456 12.071 3.743 1.00 0.00 C ATOM 495 C SER A 34 -3.412 11.919 2.634 1.00 0.00 C ATOM 496 O SER A 34 -3.744 12.001 1.450 1.00 0.00 O ATOM 497 CB SER A 34 -4.681 10.730 4.453 1.00 0.00 C ATOM 498 OG SER A 34 -4.530 10.862 5.857 1.00 0.00 O ATOM 0 H SER A 34 -6.053 12.035 2.389 1.00 0.00 H new ATOM 0 HA SER A 34 -4.085 12.793 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.680 10.358 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.973 9.992 4.076 1.00 0.00 H new ATOM 0 HG SER A 34 -5.215 10.329 6.311 1.00 0.00 H new ATOM 504 N PRO A 35 -2.132 11.693 3.002 1.00 0.00 N ATOM 505 CA PRO A 35 -1.039 11.527 2.031 1.00 0.00 C ATOM 506 C PRO A 35 -1.355 10.500 0.944 1.00 0.00 C ATOM 507 O PRO A 35 -0.873 10.616 -0.184 1.00 0.00 O ATOM 508 CB PRO A 35 0.130 11.048 2.891 1.00 0.00 C ATOM 509 CG PRO A 35 -0.152 11.592 4.246 1.00 0.00 C ATOM 510 CD PRO A 35 -1.651 11.578 4.392 1.00 0.00 C ATOM 0 HA PRO A 35 -0.843 12.452 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.191 9.960 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.081 11.416 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.321 10.984 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.241 12.603 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.000 10.659 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.002 12.406 5.008 1.00 0.00 H new ATOM 518 N ALA A 36 -2.168 9.501 1.285 1.00 0.00 N ATOM 519 CA ALA A 36 -2.551 8.458 0.336 1.00 0.00 C ATOM 520 C ALA A 36 -3.382 9.037 -0.809 1.00 0.00 C ATOM 521 O ALA A 36 -3.097 8.790 -1.983 1.00 0.00 O ATOM 522 CB ALA A 36 -3.324 7.352 1.043 1.00 0.00 C ATOM 0 H ALA A 36 -2.575 9.392 2.214 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.639 8.034 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.601 6.584 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.700 6.911 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.225 7.769 1.494 1.00 0.00 H new ATOM 528 N ASP A 37 -4.408 9.807 -0.454 1.00 0.00 N ATOM 529 CA ASP A 37 -5.294 10.429 -1.439 1.00 0.00 C ATOM 530 C ASP A 37 -4.572 11.528 -2.217 1.00 0.00 C ATOM 531 O ASP A 37 -4.853 11.747 -3.397 1.00 0.00 O ATOM 532 CB ASP A 37 -6.535 11.004 -0.749 1.00 0.00 C ATOM 533 CG ASP A 37 -7.665 11.309 -1.720 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.840 10.548 -2.699 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.379 12.310 -1.501 1.00 0.00 O ATOM 0 H ASP A 37 -4.649 10.017 0.515 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.602 9.658 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.888 10.296 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.260 11.917 -0.221 1.00 0.00 H new ATOM 540 N PHE A 38 -3.641 12.213 -1.553 1.00 0.00 N ATOM 541 CA PHE A 38 -2.874 13.290 -2.185 1.00 0.00 C ATOM 542 C PHE A 38 -2.027 12.766 -3.350 1.00 0.00 C ATOM 543 O PHE A 38 -1.667 13.527 -4.249 1.00 0.00 O ATOM 544 CB PHE A 38 -1.973 13.982 -1.158 1.00 0.00 C ATOM 545 CG PHE A 38 -2.705 14.548 0.033 1.00 0.00 C ATOM 546 CD1 PHE A 38 -4.046 14.901 -0.052 1.00 0.00 C ATOM 547 CD2 PHE A 38 -2.047 14.727 1.237 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.711 15.417 1.042 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.707 15.242 2.336 1.00 0.00 C ATOM 550 CZ PHE A 38 -4.041 15.590 2.238 1.00 0.00 C ATOM 0 H PHE A 38 -3.399 12.042 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.588 14.013 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.229 13.267 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.431 14.788 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.574 14.770 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.004 14.461 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.754 15.685 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.181 15.372 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.559 15.996 3.094 1.00 0.00 H new ATOM 560 N VAL A 39 -1.707 11.471 -3.325 1.00 0.00 N ATOM 561 CA VAL A 39 -0.900 10.857 -4.379 1.00 0.00 C ATOM 562 C VAL A 39 -1.781 10.331 -5.518 1.00 0.00 C ATOM 563 O VAL A 39 -1.354 10.290 -6.673 1.00 0.00 O ATOM 564 CB VAL A 39 -0.049 9.692 -3.825 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.882 9.145 -4.897 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.741 10.137 -2.603 1.00 0.00 C ATOM 0 H VAL A 39 -1.994 10.828 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.240 11.634 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.725 8.892 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.471 8.326 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.293 8.780 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.550 9.936 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.333 9.302 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.404 10.958 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.053 10.471 -1.826 1.00 0.00 H new ATOM 576 N GLY A 40 -3.009 9.935 -5.185 1.00 0.00 N ATOM 577 CA GLY A 40 -3.927 9.423 -6.188 1.00 0.00 C ATOM 578 C GLY A 40 -4.292 7.967 -5.960 1.00 0.00 C ATOM 579 O GLY A 40 -4.393 7.190 -6.914 1.00 0.00 O ATOM 0 H GLY A 40 -3.384 9.960 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.835 10.026 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.477 9.530 -7.175 1.00 0.00 H new ATOM 583 N LEU A 41 -4.494 7.598 -4.696 1.00 0.00 N ATOM 584 CA LEU A 41 -4.855 6.232 -4.339 1.00 0.00 C ATOM 585 C LEU A 41 -6.305 5.937 -4.722 1.00 0.00 C ATOM 586 O LEU A 41 -7.012 6.807 -5.236 1.00 0.00 O ATOM 587 CB LEU A 41 -4.645 6.013 -2.838 1.00 0.00 C ATOM 588 CG LEU A 41 -3.945 4.704 -2.459 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.605 4.586 -3.171 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.760 4.620 -0.950 1.00 0.00 C ATOM 0 H LEU A 41 -4.413 8.231 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.212 5.547 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.061 6.845 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.616 6.043 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.573 3.872 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.124 3.650 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.763 4.602 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.967 5.422 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.261 3.685 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.152 5.459 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.734 4.656 -0.461 1.00 0.00 H new ATOM 602 N ARG A 42 -6.742 4.704 -4.469 1.00 0.00 N ATOM 603 CA ARG A 42 -8.103 4.282 -4.787 1.00 0.00 C ATOM 604 C ARG A 42 -8.377 2.874 -4.256 1.00 0.00 C ATOM 605 O ARG A 42 -7.588 1.953 -4.473 1.00 0.00 O ATOM 606 CB ARG A 42 -8.337 4.313 -6.301 1.00 0.00 C ATOM 607 CG ARG A 42 -7.208 3.686 -7.105 1.00 0.00 C ATOM 608 CD ARG A 42 -7.122 4.262 -8.510 1.00 0.00 C ATOM 609 NE ARG A 42 -7.850 3.446 -9.484 1.00 0.00 N ATOM 610 CZ ARG A 42 -7.684 3.539 -10.805 1.00 0.00 C ATOM 611 NH1 ARG A 42 -6.833 4.425 -11.317 1.00 0.00 N ATOM 612 NH2 ARG A 42 -8.377 2.747 -11.616 1.00 0.00 N ATOM 0 H ARG A 42 -6.168 3.977 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.788 4.979 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.267 3.791 -6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.467 5.347 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.262 3.847 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.360 2.608 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.526 5.275 -8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.076 4.335 -8.808 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.524 2.766 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.302 5.039 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.711 4.490 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.034 2.070 -11.229 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.252 2.816 -12.626 1.00 0.00 H new ATOM 626 N ALA A 43 -9.504 2.720 -3.564 1.00 0.00 N ATOM 627 CA ALA A 43 -9.896 1.428 -3.005 1.00 0.00 C ATOM 628 C ALA A 43 -10.118 0.402 -4.110 1.00 0.00 C ATOM 629 O ALA A 43 -10.959 0.598 -4.990 1.00 0.00 O ATOM 630 CB ALA A 43 -11.157 1.568 -2.165 1.00 0.00 C ATOM 0 H ALA A 43 -10.163 3.476 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.084 1.080 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.433 0.595 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.974 2.265 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.969 1.944 -2.787 1.00 0.00 H new ATOM 636 N GLY A 44 -9.361 -0.691 -4.063 1.00 0.00 N ATOM 637 CA GLY A 44 -9.490 -1.727 -5.074 1.00 0.00 C ATOM 638 C GLY A 44 -8.158 -2.106 -5.703 1.00 0.00 C ATOM 639 O GLY A 44 -7.988 -3.239 -6.163 1.00 0.00 O ATOM 0 H GLY A 44 -8.662 -0.878 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.940 -2.613 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.170 -1.385 -5.854 1.00 0.00 H new ATOM 643 N ASP A 45 -7.211 -1.161 -5.725 1.00 0.00 N ATOM 644 CA ASP A 45 -5.892 -1.408 -6.303 1.00 0.00 C ATOM 645 C ASP A 45 -5.200 -2.578 -5.610 1.00 0.00 C ATOM 646 O ASP A 45 -5.025 -2.578 -4.389 1.00 0.00 O ATOM 647 CB ASP A 45 -5.018 -0.151 -6.209 1.00 0.00 C ATOM 648 CG ASP A 45 -5.143 0.753 -7.424 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.436 0.246 -8.528 1.00 0.00 O ATOM 650 OD2 ASP A 45 -4.942 1.976 -7.271 1.00 0.00 O ATOM 0 H ASP A 45 -7.336 -0.221 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.031 -1.664 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.293 0.410 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.976 -0.448 -6.090 1.00 0.00 H new ATOM 655 N GLN A 46 -4.811 -3.576 -6.402 1.00 0.00 N ATOM 656 CA GLN A 46 -4.140 -4.764 -5.877 1.00 0.00 C ATOM 657 C GLN A 46 -2.671 -4.471 -5.589 1.00 0.00 C ATOM 658 O GLN A 46 -1.935 -4.022 -6.469 1.00 0.00 O ATOM 659 CB GLN A 46 -4.257 -5.928 -6.868 1.00 0.00 C ATOM 660 CG GLN A 46 -5.683 -6.217 -7.312 1.00 0.00 C ATOM 661 CD GLN A 46 -5.785 -7.463 -8.176 1.00 0.00 C ATOM 662 OE1 GLN A 46 -4.995 -7.656 -9.101 1.00 0.00 O ATOM 663 NE2 GLN A 46 -6.759 -8.319 -7.880 1.00 0.00 N ATOM 0 H GLN A 46 -4.950 -3.585 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.629 -5.044 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.651 -5.707 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.840 -6.825 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.316 -6.336 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.067 -5.362 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.393 -8.122 -7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.872 -9.172 -8.428 1.00 0.00 H new ATOM 672 N ILE A 47 -2.250 -4.725 -4.353 1.00 0.00 N ATOM 673 CA ILE A 47 -0.866 -4.487 -3.951 1.00 0.00 C ATOM 674 C ILE A 47 -0.041 -5.769 -4.060 1.00 0.00 C ATOM 675 O ILE A 47 -0.366 -6.783 -3.440 1.00 0.00 O ATOM 676 CB ILE A 47 -0.778 -3.951 -2.507 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.719 -2.756 -2.311 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.656 -3.560 -2.175 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.391 -2.734 -0.955 1.00 0.00 C ATOM 0 H ILE A 47 -2.846 -5.095 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.463 -3.735 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.090 -4.744 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.154 -1.833 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.484 -2.775 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.703 -3.184 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.302 -4.432 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.990 -2.784 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.042 -1.862 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.983 -3.640 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.633 -2.684 -0.174 1.00 0.00 H new ATOM 691 N LEU A 48 1.028 -5.713 -4.852 1.00 0.00 N ATOM 692 CA LEU A 48 1.900 -6.870 -5.044 1.00 0.00 C ATOM 693 C LEU A 48 3.243 -6.668 -4.339 1.00 0.00 C ATOM 694 O LEU A 48 3.796 -7.608 -3.768 1.00 0.00 O ATOM 695 CB LEU A 48 2.131 -7.137 -6.539 1.00 0.00 C ATOM 696 CG LEU A 48 0.890 -7.040 -7.444 1.00 0.00 C ATOM 697 CD1 LEU A 48 -0.302 -7.758 -6.824 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.553 -5.582 -7.733 1.00 0.00 C ATOM 0 H LEU A 48 1.311 -4.881 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 48 1.403 -7.735 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.877 -6.430 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.558 -8.134 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 48 1.121 -7.535 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.163 -7.672 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.058 -8.811 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.538 -7.306 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.327 -5.532 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.349 -5.063 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.395 -5.107 -8.235 1.00 0.00 H new ATOM 710 N ALA A 49 3.757 -5.439 -4.381 1.00 0.00 N ATOM 711 CA ALA A 49 5.031 -5.105 -3.752 1.00 0.00 C ATOM 712 C ALA A 49 4.843 -4.039 -2.673 1.00 0.00 C ATOM 713 O ALA A 49 4.101 -3.075 -2.867 1.00 0.00 O ATOM 714 CB ALA A 49 6.029 -4.628 -4.798 1.00 0.00 C ATOM 0 H ALA A 49 3.305 -4.653 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 49 5.423 -6.005 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.974 -4.383 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.192 -5.417 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.637 -3.742 -5.298 1.00 0.00 H new ATOM 720 N VAL A 50 5.525 -4.219 -1.544 1.00 0.00 N ATOM 721 CA VAL A 50 5.450 -3.276 -0.431 1.00 0.00 C ATOM 722 C VAL A 50 6.822 -3.125 0.209 1.00 0.00 C ATOM 723 O VAL A 50 7.370 -4.090 0.744 1.00 0.00 O ATOM 724 CB VAL A 50 4.433 -3.725 0.643 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.213 -2.626 1.672 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.113 -4.129 -0.002 1.00 0.00 C ATOM 0 H VAL A 50 6.140 -5.015 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 50 5.113 -2.321 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 50 4.843 -4.594 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.494 -2.964 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.158 -2.390 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.829 -1.735 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.411 -4.442 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.699 -3.280 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.283 -4.955 -0.693 1.00 0.00 H new ATOM 736 N ASN A 51 7.387 -1.920 0.120 1.00 0.00 N ATOM 737 CA ASN A 51 8.716 -1.646 0.658 1.00 0.00 C ATOM 738 C ASN A 51 9.774 -2.222 -0.288 1.00 0.00 C ATOM 739 O ASN A 51 10.834 -2.670 0.143 1.00 0.00 O ATOM 740 CB ASN A 51 8.871 -2.227 2.072 1.00 0.00 C ATOM 741 CG ASN A 51 9.949 -1.523 2.877 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.125 -1.879 2.802 1.00 0.00 O ATOM 743 ND2 ASN A 51 9.556 -0.521 3.660 1.00 0.00 N ATOM 0 H ASN A 51 6.941 -1.116 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 51 8.852 -0.567 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.920 -2.149 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.110 -3.288 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.239 -0.018 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.572 -0.256 3.694 1.00 0.00 H new ATOM 750 N GLU A 52 9.448 -2.206 -1.590 1.00 0.00 N ATOM 751 CA GLU A 52 10.327 -2.714 -2.651 1.00 0.00 C ATOM 752 C GLU A 52 10.361 -4.250 -2.700 1.00 0.00 C ATOM 753 O GLU A 52 11.041 -4.830 -3.551 1.00 0.00 O ATOM 754 CB GLU A 52 11.747 -2.128 -2.525 1.00 0.00 C ATOM 755 CG GLU A 52 12.768 -3.032 -1.839 1.00 0.00 C ATOM 756 CD GLU A 52 14.173 -2.841 -2.383 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.705 -1.714 -2.278 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.741 -3.819 -2.914 1.00 0.00 O ATOM 0 H GLU A 52 8.562 -1.838 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 52 9.904 -2.379 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.113 -1.887 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.687 -1.190 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.766 -2.829 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.471 -4.073 -1.967 1.00 0.00 H new ATOM 765 N ILE A 53 9.629 -4.907 -1.799 1.00 0.00 N ATOM 766 CA ILE A 53 9.589 -6.367 -1.765 1.00 0.00 C ATOM 767 C ILE A 53 8.168 -6.891 -1.960 1.00 0.00 C ATOM 768 O ILE A 53 7.221 -6.400 -1.339 1.00 0.00 O ATOM 769 CB ILE A 53 10.161 -6.918 -0.439 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.530 -6.210 0.764 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.676 -6.761 -0.414 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.683 -6.970 2.064 1.00 0.00 C ATOM 0 H ILE A 53 9.058 -4.452 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 53 10.211 -6.717 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 53 9.916 -7.978 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.983 -5.225 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.469 -6.053 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.067 -7.153 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.113 -7.312 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.934 -5.706 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.212 -6.409 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.205 -7.945 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.742 -7.104 2.285 1.00 0.00 H new ATOM 784 N ASN A 54 8.027 -7.889 -2.834 1.00 0.00 N ATOM 785 CA ASN A 54 6.727 -8.491 -3.125 1.00 0.00 C ATOM 786 C ASN A 54 6.143 -9.155 -1.883 1.00 0.00 C ATOM 787 O ASN A 54 6.757 -10.048 -1.296 1.00 0.00 O ATOM 788 CB ASN A 54 6.855 -9.518 -4.252 1.00 0.00 C ATOM 789 CG ASN A 54 5.511 -10.066 -4.691 1.00 0.00 C ATOM 790 OD1 ASN A 54 4.948 -10.954 -4.049 1.00 0.00 O ATOM 791 ND2 ASN A 54 4.984 -9.542 -5.793 1.00 0.00 N ATOM 0 H ASN A 54 8.803 -8.299 -3.355 1.00 0.00 H new ATOM 0 HA ASN A 54 6.052 -7.696 -3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.352 -9.057 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.489 -10.340 -3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.082 -9.874 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.481 -8.808 -6.297 1.00 0.00 H new ATOM 798 N VAL A 55 4.953 -8.711 -1.486 1.00 0.00 N ATOM 799 CA VAL A 55 4.280 -9.255 -0.309 1.00 0.00 C ATOM 800 C VAL A 55 2.775 -9.402 -0.540 1.00 0.00 C ATOM 801 O VAL A 55 1.960 -8.885 0.228 1.00 0.00 O ATOM 802 CB VAL A 55 4.528 -8.368 0.928 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.943 -8.570 1.457 1.00 0.00 C ATOM 804 CG2 VAL A 55 4.281 -6.903 0.595 1.00 0.00 C ATOM 0 H VAL A 55 4.434 -7.974 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 55 4.701 -10.244 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 55 3.827 -8.663 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.099 -7.936 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.081 -9.614 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.662 -8.305 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.461 -6.293 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.956 -6.592 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.249 -6.773 0.269 1.00 0.00 H new ATOM 814 N LYS A 56 2.410 -10.124 -1.599 1.00 0.00 N ATOM 815 CA LYS A 56 1.000 -10.348 -1.925 1.00 0.00 C ATOM 816 C LYS A 56 0.539 -11.750 -1.501 1.00 0.00 C ATOM 817 O LYS A 56 -0.526 -12.210 -1.920 1.00 0.00 O ATOM 818 CB LYS A 56 0.744 -10.140 -3.421 1.00 0.00 C ATOM 819 CG LYS A 56 1.847 -10.671 -4.327 1.00 0.00 C ATOM 820 CD LYS A 56 1.353 -10.865 -5.751 1.00 0.00 C ATOM 821 CE LYS A 56 0.446 -12.082 -5.868 1.00 0.00 C ATOM 822 NZ LYS A 56 -0.665 -11.853 -6.833 1.00 0.00 N ATOM 0 H LYS A 56 3.067 -10.563 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 56 0.419 -9.616 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.194 -10.626 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.616 -9.074 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.688 -9.977 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.215 -11.620 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.812 -9.975 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.206 -10.980 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.033 -12.943 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.033 -12.323 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.261 -12.704 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.240 -11.047 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.271 -11.648 -7.773 1.00 0.00 H new ATOM 836 N LYS A 57 1.339 -12.421 -0.663 1.00 0.00 N ATOM 837 CA LYS A 57 1.011 -13.760 -0.174 1.00 0.00 C ATOM 838 C LYS A 57 1.616 -14.005 1.220 1.00 0.00 C ATOM 839 O LYS A 57 1.915 -15.147 1.580 1.00 0.00 O ATOM 840 CB LYS A 57 1.516 -14.833 -1.148 1.00 0.00 C ATOM 841 CG LYS A 57 1.141 -14.584 -2.601 1.00 0.00 C ATOM 842 CD LYS A 57 1.631 -15.706 -3.504 1.00 0.00 C ATOM 843 CE LYS A 57 3.121 -15.581 -3.791 1.00 0.00 C ATOM 844 NZ LYS A 57 3.537 -16.388 -4.974 1.00 0.00 N ATOM 0 H LYS A 57 2.222 -12.053 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.075 -13.825 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.601 -14.896 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.118 -15.801 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.058 -14.492 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.568 -13.637 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.430 -16.668 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.076 -15.688 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.370 -14.534 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.686 -15.904 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.558 -16.272 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.325 -17.391 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.018 -16.064 -5.815 1.00 0.00 H new ATOM 858 N ALA A 58 1.802 -12.930 1.996 1.00 0.00 N ATOM 859 CA ALA A 58 2.376 -13.032 3.330 1.00 0.00 C ATOM 860 C ALA A 58 1.359 -12.653 4.412 1.00 0.00 C ATOM 861 O ALA A 58 0.164 -12.534 4.138 1.00 0.00 O ATOM 862 CB ALA A 58 3.619 -12.155 3.434 1.00 0.00 C ATOM 0 H ALA A 58 1.560 -11.980 1.716 1.00 0.00 H new ATOM 0 HA ALA A 58 2.659 -14.072 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.040 -12.239 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.357 -12.482 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.349 -11.117 3.239 1.00 0.00 H new ATOM 868 N SER A 59 1.848 -12.461 5.642 1.00 0.00 N ATOM 869 CA SER A 59 0.993 -12.089 6.767 1.00 0.00 C ATOM 870 C SER A 59 0.864 -10.582 6.861 1.00 0.00 C ATOM 871 O SER A 59 1.829 -9.843 6.666 1.00 0.00 O ATOM 872 CB SER A 59 1.546 -12.651 8.082 1.00 0.00 C ATOM 873 OG SER A 59 2.957 -12.787 8.034 1.00 0.00 O ATOM 0 H SER A 59 2.835 -12.558 5.881 1.00 0.00 H new ATOM 0 HA SER A 59 0.006 -12.517 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.270 -11.992 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.092 -13.621 8.284 1.00 0.00 H new ATOM 0 HG SER A 59 3.280 -13.146 8.887 1.00 0.00 H new ATOM 879 N HIS A 60 -0.349 -10.145 7.151 1.00 0.00 N ATOM 880 CA HIS A 60 -0.661 -8.731 7.267 1.00 0.00 C ATOM 881 C HIS A 60 0.266 -8.018 8.249 1.00 0.00 C ATOM 882 O HIS A 60 0.763 -6.931 7.959 1.00 0.00 O ATOM 883 CB HIS A 60 -2.111 -8.576 7.695 1.00 0.00 C ATOM 884 CG HIS A 60 -2.767 -7.356 7.141 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.141 -7.236 5.819 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.108 -6.189 7.736 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.684 -6.050 5.626 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.676 -5.393 6.774 1.00 0.00 N ATOM 0 H HIS A 60 -1.146 -10.761 7.313 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.509 -8.265 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.671 -9.456 7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.159 -8.542 8.783 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.960 -5.932 8.775 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.070 -5.678 4.689 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.034 -4.449 6.920 1.00 0.00 H new ATOM 897 N GLU A 61 0.498 -8.636 9.403 1.00 0.00 N ATOM 898 CA GLU A 61 1.376 -8.050 10.416 1.00 0.00 C ATOM 899 C GLU A 61 2.784 -7.865 9.867 1.00 0.00 C ATOM 900 O GLU A 61 3.412 -6.827 10.081 1.00 0.00 O ATOM 901 CB GLU A 61 1.412 -8.924 11.671 1.00 0.00 C ATOM 902 CG GLU A 61 0.169 -8.793 12.533 1.00 0.00 C ATOM 903 CD GLU A 61 0.384 -9.274 13.955 1.00 0.00 C ATOM 904 OE1 GLU A 61 0.449 -10.505 14.163 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.489 -8.421 14.861 1.00 0.00 O ATOM 0 H GLU A 61 0.094 -9.536 9.661 1.00 0.00 H new ATOM 0 HA GLU A 61 0.976 -7.072 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.532 -9.966 11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.287 -8.658 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.146 -7.750 12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.643 -9.363 12.081 1.00 0.00 H new ATOM 912 N ASP A 62 3.265 -8.868 9.137 1.00 0.00 N ATOM 913 CA ASP A 62 4.591 -8.811 8.535 1.00 0.00 C ATOM 914 C ASP A 62 4.649 -7.702 7.488 1.00 0.00 C ATOM 915 O ASP A 62 5.612 -6.938 7.432 1.00 0.00 O ATOM 916 CB ASP A 62 4.946 -10.154 7.892 1.00 0.00 C ATOM 917 CG ASP A 62 6.368 -10.184 7.364 1.00 0.00 C ATOM 918 OD1 ASP A 62 6.574 -9.807 6.191 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.273 -10.584 8.125 1.00 0.00 O ATOM 0 H ASP A 62 2.754 -9.731 8.949 1.00 0.00 H new ATOM 0 HA ASP A 62 5.316 -8.596 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.817 -10.950 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.254 -10.357 7.075 1.00 0.00 H new ATOM 924 N VAL A 63 3.606 -7.626 6.666 1.00 0.00 N ATOM 925 CA VAL A 63 3.525 -6.617 5.615 1.00 0.00 C ATOM 926 C VAL A 63 3.483 -5.208 6.206 1.00 0.00 C ATOM 927 O VAL A 63 4.169 -4.308 5.724 1.00 0.00 O ATOM 928 CB VAL A 63 2.296 -6.833 4.702 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.268 -5.799 3.582 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.293 -8.245 4.130 1.00 0.00 C ATOM 0 H VAL A 63 2.803 -8.253 6.708 1.00 0.00 H new ATOM 0 HA VAL A 63 4.425 -6.723 5.009 1.00 0.00 H new ATOM 0 HB VAL A 63 1.397 -6.707 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.395 -5.969 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.216 -4.799 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.173 -5.889 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.420 -8.377 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.199 -8.402 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.258 -8.968 4.945 1.00 0.00 H new ATOM 940 N VAL A 64 2.700 -5.031 7.271 1.00 0.00 N ATOM 941 CA VAL A 64 2.601 -3.740 7.934 1.00 0.00 C ATOM 942 C VAL A 64 3.936 -3.390 8.573 1.00 0.00 C ATOM 943 O VAL A 64 4.368 -2.236 8.545 1.00 0.00 O ATOM 944 CB VAL A 64 1.496 -3.720 9.016 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.382 -2.338 9.646 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.159 -4.152 8.429 1.00 0.00 C ATOM 0 H VAL A 64 2.129 -5.766 7.688 1.00 0.00 H new ATOM 0 HA VAL A 64 2.337 -3.004 7.175 1.00 0.00 H new ATOM 0 HB VAL A 64 1.773 -4.429 9.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.599 -2.347 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.332 -2.070 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.134 -1.607 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.604 -4.131 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.123 -3.471 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.245 -5.164 8.033 1.00 0.00 H new ATOM 956 N LYS A 65 4.590 -4.405 9.141 1.00 0.00 N ATOM 957 CA LYS A 65 5.882 -4.218 9.784 1.00 0.00 C ATOM 958 C LYS A 65 6.899 -3.636 8.804 1.00 0.00 C ATOM 959 O LYS A 65 7.682 -2.755 9.160 1.00 0.00 O ATOM 960 CB LYS A 65 6.400 -5.543 10.352 1.00 0.00 C ATOM 961 CG LYS A 65 6.385 -5.607 11.871 1.00 0.00 C ATOM 962 CD LYS A 65 6.774 -6.991 12.372 1.00 0.00 C ATOM 963 CE LYS A 65 7.601 -6.916 13.648 1.00 0.00 C ATOM 964 NZ LYS A 65 8.987 -6.427 13.393 1.00 0.00 N ATOM 0 H LYS A 65 4.242 -5.363 9.166 1.00 0.00 H new ATOM 0 HA LYS A 65 5.748 -3.513 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.794 -6.358 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.419 -5.704 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.074 -4.865 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.391 -5.352 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.874 -7.578 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.342 -7.511 11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.109 -6.253 14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.645 -7.903 14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.567 -6.567 14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.402 -6.958 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.960 -5.415 13.155 1.00 0.00 H new ATOM 978 N LEU A 66 6.874 -4.132 7.567 1.00 0.00 N ATOM 979 CA LEU A 66 7.785 -3.656 6.527 1.00 0.00 C ATOM 980 C LEU A 66 7.517 -2.187 6.212 1.00 0.00 C ATOM 981 O LEU A 66 8.447 -1.391 6.081 1.00 0.00 O ATOM 982 CB LEU A 66 7.647 -4.502 5.257 1.00 0.00 C ATOM 983 CG LEU A 66 7.991 -5.984 5.423 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.325 -6.813 4.333 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.500 -6.185 5.410 1.00 0.00 C ATOM 0 H LEU A 66 6.232 -4.864 7.261 1.00 0.00 H new ATOM 0 HA LEU A 66 8.805 -3.753 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.622 -4.421 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.291 -4.080 4.486 1.00 0.00 H new ATOM 0 HG LEU A 66 7.610 -6.322 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.581 -7.864 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.243 -6.692 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.673 -6.477 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.727 -7.244 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.906 -5.831 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.949 -5.623 6.229 1.00 0.00 H new ATOM 997 N ILE A 67 6.237 -1.837 6.107 1.00 0.00 N ATOM 998 CA ILE A 67 5.829 -0.464 5.822 1.00 0.00 C ATOM 999 C ILE A 67 6.280 0.477 6.941 1.00 0.00 C ATOM 1000 O ILE A 67 6.805 1.562 6.681 1.00 0.00 O ATOM 1001 CB ILE A 67 4.296 -0.359 5.650 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.813 -1.315 4.554 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.891 1.072 5.327 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.307 -1.451 4.481 1.00 0.00 C ATOM 0 H ILE A 67 5.461 -2.490 6.216 1.00 0.00 H new ATOM 0 HA ILE A 67 6.307 -0.169 4.888 1.00 0.00 H new ATOM 0 HB ILE A 67 3.824 -0.645 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.184 -0.965 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.249 -2.299 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.809 1.126 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.201 1.730 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.373 1.386 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.043 -2.144 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.930 -1.831 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.863 -0.476 4.278 1.00 0.00 H new ATOM 1016 N GLY A 68 6.081 0.040 8.184 1.00 0.00 N ATOM 1017 CA GLY A 68 6.479 0.841 9.334 1.00 0.00 C ATOM 1018 C GLY A 68 7.989 0.947 9.491 1.00 0.00 C ATOM 1019 O GLY A 68 8.486 1.881 10.123 1.00 0.00 O ATOM 0 H GLY A 68 5.651 -0.855 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.058 1.842 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.055 0.404 10.238 1.00 0.00 H new ATOM 1023 N LYS A 69 8.721 -0.013 8.913 1.00 0.00 N ATOM 1024 CA LYS A 69 10.185 -0.026 8.985 1.00 0.00 C ATOM 1025 C LYS A 69 10.784 1.269 8.428 1.00 0.00 C ATOM 1026 O LYS A 69 11.802 1.754 8.926 1.00 0.00 O ATOM 1027 CB LYS A 69 10.741 -1.234 8.219 1.00 0.00 C ATOM 1028 CG LYS A 69 12.193 -1.557 8.543 1.00 0.00 C ATOM 1029 CD LYS A 69 12.325 -2.278 9.877 1.00 0.00 C ATOM 1030 CE LYS A 69 13.375 -3.374 9.810 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.380 -4.222 11.037 1.00 0.00 N ATOM 0 H LYS A 69 8.321 -0.792 8.390 1.00 0.00 H new ATOM 0 HA LYS A 69 10.468 -0.103 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.127 -2.107 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.651 -1.046 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.613 -2.177 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.774 -0.635 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.592 -1.563 10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.364 -2.709 10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.189 -4.001 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.359 -2.925 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.111 -4.956 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.583 -3.630 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.449 -4.672 11.152 1.00 0.00 H new ATOM 1045 N CYS A 70 10.141 1.827 7.401 1.00 0.00 N ATOM 1046 CA CYS A 70 10.601 3.069 6.786 1.00 0.00 C ATOM 1047 C CYS A 70 10.410 4.245 7.739 1.00 0.00 C ATOM 1048 O CYS A 70 11.365 4.945 8.080 1.00 0.00 O ATOM 1049 CB CYS A 70 9.857 3.322 5.471 1.00 0.00 C ATOM 1050 SG CYS A 70 10.878 4.072 4.179 1.00 0.00 S ATOM 0 H CYS A 70 9.299 1.436 6.978 1.00 0.00 H new ATOM 0 HA CYS A 70 11.665 2.971 6.571 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.460 2.376 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.004 3.971 5.668 1.00 0.00 H new ATOM 0 HG CYS A 70 10.120 4.457 3.196 1.00 0.00 H new ATOM 1056 N SER A 71 9.165 4.454 8.161 1.00 0.00 N ATOM 1057 CA SER A 71 8.818 5.540 9.079 1.00 0.00 C ATOM 1058 C SER A 71 9.054 6.904 8.432 1.00 0.00 C ATOM 1059 O SER A 71 9.465 7.861 9.095 1.00 0.00 O ATOM 1060 CB SER A 71 9.616 5.417 10.382 1.00 0.00 C ATOM 1061 OG SER A 71 8.860 4.757 11.382 1.00 0.00 O ATOM 0 H SER A 71 8.371 3.879 7.879 1.00 0.00 H new ATOM 0 HA SER A 71 7.756 5.458 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.539 4.867 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.901 6.409 10.733 1.00 0.00 H new ATOM 0 HG SER A 71 8.676 3.837 11.099 1.00 0.00 H new ATOM 1067 N GLY A 72 8.786 6.983 7.130 1.00 0.00 N ATOM 1068 CA GLY A 72 8.964 8.223 6.397 1.00 0.00 C ATOM 1069 C GLY A 72 8.178 8.240 5.101 1.00 0.00 C ATOM 1070 O GLY A 72 7.512 9.229 4.781 1.00 0.00 O ATOM 0 H GLY A 72 8.446 6.203 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.651 9.060 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.023 8.366 6.180 1.00 0.00 H new ATOM 1074 N VAL A 73 8.253 7.138 4.351 1.00 0.00 N ATOM 1075 CA VAL A 73 7.544 7.026 3.081 1.00 0.00 C ATOM 1076 C VAL A 73 7.495 5.577 2.599 1.00 0.00 C ATOM 1077 O VAL A 73 8.481 4.845 2.698 1.00 0.00 O ATOM 1078 CB VAL A 73 8.187 7.919 1.995 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.654 7.561 1.781 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.411 7.831 0.688 1.00 0.00 C ATOM 0 H VAL A 73 8.798 6.313 4.604 1.00 0.00 H new ATOM 0 HA VAL A 73 6.524 7.371 3.254 1.00 0.00 H new ATOM 0 HB VAL A 73 8.144 8.950 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.078 8.206 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.202 7.700 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.732 6.521 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.884 8.468 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.408 6.800 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.385 8.162 0.851 1.00 0.00 H new ATOM 1090 N LEU A 74 6.341 5.173 2.072 1.00 0.00 N ATOM 1091 CA LEU A 74 6.166 3.814 1.568 1.00 0.00 C ATOM 1092 C LEU A 74 5.998 3.803 0.053 1.00 0.00 C ATOM 1093 O LEU A 74 5.235 4.594 -0.504 1.00 0.00 O ATOM 1094 CB LEU A 74 4.958 3.138 2.224 1.00 0.00 C ATOM 1095 CG LEU A 74 4.603 1.763 1.648 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.629 0.721 2.073 1.00 0.00 C ATOM 1097 CD2 LEU A 74 3.202 1.346 2.074 1.00 0.00 C ATOM 0 H LEU A 74 5.516 5.766 1.983 1.00 0.00 H new ATOM 0 HA LEU A 74 7.067 3.256 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.154 3.030 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.093 3.793 2.123 1.00 0.00 H new ATOM 0 HG LEU A 74 4.620 1.834 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.359 -0.248 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.615 1.011 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.649 0.653 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.970 0.367 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.152 1.295 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.479 2.077 1.712 1.00 0.00 H new ATOM 1109 N HIS A 75 6.708 2.884 -0.599 1.00 0.00 N ATOM 1110 CA HIS A 75 6.642 2.735 -2.049 1.00 0.00 C ATOM 1111 C HIS A 75 6.147 1.339 -2.413 1.00 0.00 C ATOM 1112 O HIS A 75 6.920 0.375 -2.412 1.00 0.00 O ATOM 1113 CB HIS A 75 8.017 2.994 -2.673 1.00 0.00 C ATOM 1114 CG HIS A 75 8.523 4.391 -2.469 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.856 4.729 -2.547 1.00 0.00 N ATOM 1116 CD2 HIS A 75 7.863 5.540 -2.191 1.00 0.00 C ATOM 1117 CE1 HIS A 75 9.994 6.025 -2.328 1.00 0.00 C ATOM 1118 NE2 HIS A 75 8.799 6.542 -2.110 1.00 0.00 N ATOM 0 H HIS A 75 7.340 2.227 -0.140 1.00 0.00 H new ATOM 0 HA HIS A 75 5.939 3.468 -2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.735 2.292 -2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.964 2.790 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.797 5.649 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.927 6.569 -2.327 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.603 7.524 -1.914 1.00 0.00 H new ATOM 1127 N MET A 76 4.853 1.231 -2.715 1.00 0.00 N ATOM 1128 CA MET A 76 4.249 -0.050 -3.070 1.00 0.00 C ATOM 1129 C MET A 76 3.826 -0.077 -4.537 1.00 0.00 C ATOM 1130 O MET A 76 3.391 0.937 -5.089 1.00 0.00 O ATOM 1131 CB MET A 76 3.043 -0.343 -2.166 1.00 0.00 C ATOM 1132 CG MET A 76 1.902 0.652 -2.311 1.00 0.00 C ATOM 1133 SD MET A 76 1.995 1.999 -1.116 1.00 0.00 S ATOM 1134 CE MET A 76 0.259 2.341 -0.849 1.00 0.00 C ATOM 0 H MET A 76 4.203 2.017 -2.720 1.00 0.00 H new ATOM 0 HA MET A 76 5.001 -0.825 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.670 -1.343 -2.389 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.374 -0.351 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.912 1.065 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.953 0.130 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.155 3.154 -0.131 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.205 2.629 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.232 1.449 -0.461 1.00 0.00 H new ATOM 1144 N VAL A 77 3.950 -1.248 -5.159 1.00 0.00 N ATOM 1145 CA VAL A 77 3.574 -1.417 -6.558 1.00 0.00 C ATOM 1146 C VAL A 77 2.165 -1.988 -6.668 1.00 0.00 C ATOM 1147 O VAL A 77 1.910 -3.129 -6.268 1.00 0.00 O ATOM 1148 CB VAL A 77 4.556 -2.339 -7.313 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.242 -2.351 -8.803 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.997 -1.909 -7.071 1.00 0.00 C ATOM 0 H VAL A 77 4.308 -2.093 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 77 3.609 -0.429 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 77 4.435 -3.352 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.945 -3.006 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.226 -2.715 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.330 -1.340 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.671 -2.573 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.135 -0.886 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.218 -1.960 -6.005 1.00 0.00 H new ATOM 1160 N ILE A 78 1.253 -1.183 -7.208 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.139 -1.588 -7.373 1.00 0.00 C ATOM 1162 C ILE A 78 -0.442 -1.956 -8.825 1.00 0.00 C ATOM 1163 O ILE A 78 0.117 -1.370 -9.757 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.109 -0.475 -6.921 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.704 0.877 -7.528 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.148 -0.391 -5.401 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -1.877 1.719 -7.976 1.00 0.00 C ATOM 0 H ILE A 78 1.456 -0.240 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.287 -2.465 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.108 -0.722 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.126 1.437 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.048 0.700 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.836 0.398 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.486 -1.344 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.150 -0.167 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.513 2.658 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.443 1.180 -8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.522 1.928 -7.123 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.330 -2.930 -9.005 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.718 -3.390 -10.338 1.00 0.00 C ATOM 1181 C ALA A 79 -3.175 -3.049 -10.639 1.00 0.00 C ATOM 1182 O ALA A 79 -4.031 -3.089 -9.752 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.496 -4.890 -10.459 1.00 0.00 C ATOM 0 H ALA A 79 -1.797 -3.419 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.093 -2.875 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.788 -5.222 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.442 -5.116 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.098 -5.408 -9.713 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.450 -2.723 -11.904 1.00 0.00 N ATOM 1190 CA GLU A 80 -4.803 -2.383 -12.337 1.00 0.00 C ATOM 1191 C GLU A 80 -5.531 -3.628 -12.840 1.00 0.00 C ATOM 1192 O GLU A 80 -5.095 -4.267 -13.800 1.00 0.00 O ATOM 1193 CB GLU A 80 -4.756 -1.318 -13.439 1.00 0.00 C ATOM 1194 CG GLU A 80 -4.952 0.101 -12.928 1.00 0.00 C ATOM 1195 CD GLU A 80 -6.368 0.611 -13.133 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -7.309 -0.012 -12.599 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -6.533 1.640 -13.826 1.00 0.00 O ATOM 0 H GLU A 80 -2.751 -2.688 -12.646 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.349 -1.982 -11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.796 -1.381 -13.952 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.527 -1.538 -14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.708 0.137 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.254 0.765 -13.438 1.00 0.00 H new