USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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 5 HIS : no HD1:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 6 TYR OH : rot 144:sc= 1.12 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= -0.0419 K(o=-0.042,f=-2.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc=-0.00335 (180deg=-0.184) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= -1.02 USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.043 (180deg=-0.574) USER MOD Single : A 39 THR OG1 : rot 23:sc= 0.347 USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.465 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 96:sc= -0.721 USER MOD Single : A 62 CYS SG : rot -118:sc= -0.67 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -2.86! (180deg=-3.68!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 5.532 1.903 -11.463 1.00 0.00 N ATOM 35 CA VAL A 3 5.424 2.443 -10.079 1.00 0.00 C ATOM 36 C VAL A 3 5.044 3.926 -10.126 1.00 0.00 C ATOM 37 O VAL A 3 5.572 4.693 -10.908 1.00 0.00 O ATOM 38 CB VAL A 3 6.766 2.276 -9.364 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.131 0.791 -9.328 1.00 0.00 C ATOM 40 CG2 VAL A 3 7.854 3.045 -10.118 1.00 0.00 C ATOM 0 HA VAL A 3 4.652 1.897 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 3 6.688 2.666 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.087 0.663 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.359 0.239 -8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.208 0.410 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.808 2.923 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.936 2.658 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.594 4.103 -10.153 1.00 0.00 H new ATOM 50 N ALA A 4 4.119 4.332 -9.293 1.00 0.00 N ATOM 51 CA ALA A 4 3.680 5.759 -9.282 1.00 0.00 C ATOM 52 C ALA A 4 4.474 6.542 -8.235 1.00 0.00 C ATOM 53 O ALA A 4 5.003 5.981 -7.293 1.00 0.00 O ATOM 54 CB ALA A 4 2.197 5.818 -8.931 1.00 0.00 C ATOM 0 H ALA A 4 3.647 3.732 -8.617 1.00 0.00 H new ATOM 0 HA ALA A 4 3.853 6.198 -10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.867 6.857 -8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.625 5.263 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.038 5.377 -7.947 1.00 0.00 H new ATOM 60 N HIS A 5 4.554 7.840 -8.396 1.00 0.00 N ATOM 61 CA HIS A 5 5.306 8.692 -7.427 1.00 0.00 C ATOM 62 C HIS A 5 4.325 9.566 -6.647 1.00 0.00 C ATOM 63 O HIS A 5 3.337 10.037 -7.177 1.00 0.00 O ATOM 64 CB HIS A 5 6.277 9.585 -8.199 1.00 0.00 C ATOM 65 CG HIS A 5 7.331 8.730 -8.844 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.250 9.244 -9.744 1.00 0.00 N ATOM 67 CD2 HIS A 5 7.625 7.391 -8.733 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.045 8.231 -10.134 1.00 0.00 C ATOM 69 NE2 HIS A 5 8.707 7.080 -9.549 1.00 0.00 N ATOM 0 H HIS A 5 4.124 8.350 -9.168 1.00 0.00 H new ATOM 0 HA HIS A 5 5.857 8.059 -6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.740 10.155 -8.957 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.739 10.307 -7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.096 6.688 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.859 8.337 -10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.148 6.169 -9.674 1.00 0.00 H new ATOM 77 N TYR A 6 4.594 9.788 -5.389 1.00 0.00 N ATOM 78 CA TYR A 6 3.684 10.631 -4.570 1.00 0.00 C ATOM 79 C TYR A 6 4.464 11.234 -3.399 1.00 0.00 C ATOM 80 O TYR A 6 5.109 10.534 -2.641 1.00 0.00 O ATOM 81 CB TYR A 6 2.531 9.777 -4.043 1.00 0.00 C ATOM 82 CG TYR A 6 1.570 10.660 -3.286 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.798 11.600 -3.978 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.445 10.539 -1.897 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.098 12.419 -3.283 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.550 11.358 -1.201 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.222 12.299 -1.893 1.00 0.00 C ATOM 88 OH TYR A 6 -1.104 13.106 -1.206 1.00 0.00 O ATOM 0 H TYR A 6 5.407 9.420 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 6 3.280 11.436 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.019 9.285 -4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.912 8.991 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.894 11.693 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.040 9.813 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.694 13.144 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.454 11.265 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.505 12.599 -0.469 1.00 0.00 H new ATOM 98 N ARG A 7 4.412 12.532 -3.254 1.00 0.00 N ATOM 99 CA ARG A 7 5.149 13.203 -2.144 1.00 0.00 C ATOM 100 C ARG A 7 6.620 12.781 -2.175 1.00 0.00 C ATOM 101 O ARG A 7 7.321 12.831 -1.181 1.00 0.00 O ATOM 102 CB ARG A 7 4.514 12.819 -0.802 1.00 0.00 C ATOM 103 CG ARG A 7 3.038 13.252 -0.773 1.00 0.00 C ATOM 104 CD ARG A 7 2.919 14.745 -0.431 1.00 0.00 C ATOM 105 NE ARG A 7 3.593 15.003 0.871 1.00 0.00 N ATOM 106 CZ ARG A 7 3.764 16.225 1.297 1.00 0.00 C ATOM 107 NH1 ARG A 7 3.347 17.235 0.585 1.00 0.00 N ATOM 108 NH2 ARG A 7 4.358 16.434 2.439 1.00 0.00 N ATOM 0 H ARG A 7 3.886 13.160 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 7 5.090 14.284 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.588 11.742 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.057 13.294 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.577 13.057 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.494 12.660 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.375 15.348 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.870 15.035 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 7 3.924 14.219 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.885 17.072 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.483 18.188 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.687 15.644 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.494 17.387 2.776 1.00 0.00 H new ATOM 122 N GLY A 8 7.099 12.384 -3.324 1.00 0.00 N ATOM 123 CA GLY A 8 8.527 11.975 -3.451 1.00 0.00 C ATOM 124 C GLY A 8 8.653 10.479 -3.166 1.00 0.00 C ATOM 125 O GLY A 8 9.644 9.857 -3.486 1.00 0.00 O ATOM 0 H GLY A 8 6.557 12.325 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.893 12.198 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.143 12.543 -2.753 1.00 0.00 H new ATOM 129 N TYR A 9 7.655 9.899 -2.559 1.00 0.00 N ATOM 130 CA TYR A 9 7.713 8.444 -2.243 1.00 0.00 C ATOM 131 C TYR A 9 7.255 7.617 -3.444 1.00 0.00 C ATOM 132 O TYR A 9 6.345 7.986 -4.162 1.00 0.00 O ATOM 133 CB TYR A 9 6.809 8.155 -1.047 1.00 0.00 C ATOM 134 CG TYR A 9 7.403 8.793 0.183 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.223 10.161 0.416 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.134 8.019 1.093 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.774 10.756 1.556 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.685 8.614 2.233 1.00 0.00 C ATOM 139 CZ TYR A 9 8.505 9.982 2.465 1.00 0.00 C ATOM 140 OH TYR A 9 9.049 10.568 3.590 1.00 0.00 O ATOM 0 H TYR A 9 6.799 10.371 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 9 8.742 8.172 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.808 8.547 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.709 7.079 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.658 10.758 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.272 6.963 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.635 11.812 1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.249 8.017 2.934 1.00 0.00 H new ATOM 0 HH TYR A 9 9.524 9.890 4.115 1.00 0.00 H new ATOM 150 N GLU A 10 7.878 6.489 -3.658 1.00 0.00 N ATOM 151 CA GLU A 10 7.488 5.618 -4.799 1.00 0.00 C ATOM 152 C GLU A 10 6.415 4.643 -4.336 1.00 0.00 C ATOM 153 O GLU A 10 6.434 4.178 -3.214 1.00 0.00 O ATOM 154 CB GLU A 10 8.710 4.835 -5.276 1.00 0.00 C ATOM 155 CG GLU A 10 9.684 5.796 -5.954 1.00 0.00 C ATOM 156 CD GLU A 10 10.955 5.045 -6.350 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.029 3.859 -6.075 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.834 5.669 -6.921 1.00 0.00 O ATOM 0 H GLU A 10 8.645 6.133 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 10 7.104 6.229 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.194 4.342 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.407 4.053 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.220 6.237 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.930 6.616 -5.280 1.00 0.00 H new ATOM 165 N ILE A 11 5.476 4.333 -5.190 1.00 0.00 N ATOM 166 CA ILE A 11 4.387 3.386 -4.814 1.00 0.00 C ATOM 167 C ILE A 11 4.350 2.241 -5.814 1.00 0.00 C ATOM 168 O ILE A 11 4.335 2.452 -7.010 1.00 0.00 O ATOM 169 CB ILE A 11 3.053 4.126 -4.829 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.081 5.203 -3.744 1.00 0.00 C ATOM 171 CG2 ILE A 11 1.920 3.140 -4.545 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.877 6.132 -3.902 1.00 0.00 C ATOM 0 H ILE A 11 5.417 4.699 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 11 4.570 2.988 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 11 2.890 4.585 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.066 4.739 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.005 5.777 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.967 3.668 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.913 2.364 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.071 2.684 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.903 6.897 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.911 6.608 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.957 5.554 -3.811 1.00 0.00 H new ATOM 184 N GLU A 12 4.339 1.024 -5.326 1.00 0.00 N ATOM 185 CA GLU A 12 4.304 -0.162 -6.231 1.00 0.00 C ATOM 186 C GLU A 12 2.979 -0.914 -6.008 1.00 0.00 C ATOM 187 O GLU A 12 2.652 -1.251 -4.885 1.00 0.00 O ATOM 188 CB GLU A 12 5.476 -1.081 -5.897 1.00 0.00 C ATOM 189 CG GLU A 12 6.725 -0.231 -5.689 1.00 0.00 C ATOM 190 CD GLU A 12 7.938 -1.141 -5.515 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.757 -2.347 -5.544 1.00 0.00 O ATOM 192 OE2 GLU A 12 9.029 -0.617 -5.360 1.00 0.00 O ATOM 0 H GLU A 12 4.353 0.802 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 12 4.378 0.155 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.259 -1.658 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.636 -1.796 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.873 0.431 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.604 0.403 -4.811 1.00 0.00 H new ATOM 199 N PRO A 13 2.209 -1.171 -7.045 1.00 0.00 N ATOM 200 CA PRO A 13 0.900 -1.881 -6.913 1.00 0.00 C ATOM 201 C PRO A 13 1.054 -3.391 -6.694 1.00 0.00 C ATOM 202 O PRO A 13 2.065 -3.981 -7.020 1.00 0.00 O ATOM 203 CB PRO A 13 0.204 -1.584 -8.246 1.00 0.00 C ATOM 204 CG PRO A 13 1.320 -1.446 -9.228 1.00 0.00 C ATOM 205 CD PRO A 13 2.489 -0.829 -8.454 1.00 0.00 C ATOM 0 HA PRO A 13 0.341 -1.543 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.475 -2.389 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.390 -0.672 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.596 -2.415 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.028 -0.811 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.444 -1.239 -8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.538 0.250 -8.600 1.00 0.00 H new ATOM 213 N GLY A 14 0.049 -4.017 -6.150 1.00 0.00 N ATOM 214 CA GLY A 14 0.122 -5.481 -5.916 1.00 0.00 C ATOM 215 C GLY A 14 -1.091 -5.926 -5.103 1.00 0.00 C ATOM 216 O GLY A 14 -1.966 -5.140 -4.798 1.00 0.00 O ATOM 0 H GLY A 14 -0.822 -3.574 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.150 -6.012 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.041 -5.730 -5.385 1.00 0.00 H new ATOM 220 N HIS A 15 -1.151 -7.179 -4.748 1.00 0.00 N ATOM 221 CA HIS A 15 -2.307 -7.678 -3.949 1.00 0.00 C ATOM 222 C HIS A 15 -1.829 -8.799 -3.029 1.00 0.00 C ATOM 223 O HIS A 15 -1.260 -9.778 -3.470 1.00 0.00 O ATOM 224 CB HIS A 15 -3.389 -8.214 -4.890 1.00 0.00 C ATOM 225 CG HIS A 15 -2.766 -9.142 -5.896 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.990 -8.679 -6.946 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.799 -10.509 -6.029 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.592 -9.748 -7.658 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.057 -10.889 -7.143 1.00 0.00 N ATOM 0 H HIS A 15 -0.448 -7.882 -4.977 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.721 -6.864 -3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.154 -8.740 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.884 -7.388 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.321 -11.186 -5.369 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.971 -9.691 -8.540 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.902 -11.835 -7.491 1.00 0.00 H new ATOM 237 N GLN A 16 -2.056 -8.667 -1.750 1.00 0.00 N ATOM 238 CA GLN A 16 -1.618 -9.726 -0.796 1.00 0.00 C ATOM 239 C GLN A 16 -2.625 -9.815 0.346 1.00 0.00 C ATOM 240 O GLN A 16 -3.354 -8.877 0.614 1.00 0.00 O ATOM 241 CB GLN A 16 -0.241 -9.376 -0.230 1.00 0.00 C ATOM 242 CG GLN A 16 0.228 -10.501 0.695 1.00 0.00 C ATOM 243 CD GLN A 16 1.682 -10.265 1.096 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.385 -9.500 0.465 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.169 -10.895 2.129 1.00 0.00 N ATOM 0 H GLN A 16 -2.527 -7.869 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.560 -10.682 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.473 -9.236 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.289 -8.435 0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.402 -10.541 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.131 -11.463 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.580 -11.537 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.139 -10.746 2.407 1.00 0.00 H new ATOM 254 N TYR A 17 -2.677 -10.939 1.017 1.00 0.00 N ATOM 255 CA TYR A 17 -3.641 -11.111 2.143 1.00 0.00 C ATOM 256 C TYR A 17 -2.902 -11.069 3.481 1.00 0.00 C ATOM 257 O TYR A 17 -1.774 -11.506 3.597 1.00 0.00 O ATOM 258 CB TYR A 17 -4.358 -12.454 1.997 1.00 0.00 C ATOM 259 CG TYR A 17 -3.372 -13.587 2.179 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.036 -14.020 3.467 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.804 -14.211 1.060 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.132 -15.076 3.639 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.899 -15.266 1.232 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.564 -15.699 2.521 1.00 0.00 C ATOM 265 OH TYR A 17 -0.675 -16.742 2.690 1.00 0.00 O ATOM 0 H TYR A 17 -2.087 -11.750 0.830 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.369 -10.300 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.156 -12.532 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.826 -12.522 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.474 -13.539 4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.064 -13.879 0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.873 -15.409 4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.459 -15.746 0.370 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.376 -17.062 1.813 1.00 0.00 H new ATOM 275 N ARG A 18 -3.534 -10.534 4.493 1.00 0.00 N ATOM 276 CA ARG A 18 -2.884 -10.447 5.833 1.00 0.00 C ATOM 277 C ARG A 18 -3.252 -11.674 6.679 1.00 0.00 C ATOM 278 O ARG A 18 -4.372 -12.145 6.660 1.00 0.00 O ATOM 279 CB ARG A 18 -3.353 -9.170 6.537 1.00 0.00 C ATOM 280 CG ARG A 18 -2.814 -7.947 5.788 1.00 0.00 C ATOM 281 CD ARG A 18 -3.252 -6.664 6.499 1.00 0.00 C ATOM 282 NE ARG A 18 -4.729 -6.511 6.384 1.00 0.00 N ATOM 283 CZ ARG A 18 -5.332 -5.492 6.939 1.00 0.00 C ATOM 284 NH1 ARG A 18 -4.648 -4.607 7.609 1.00 0.00 N ATOM 285 NH2 ARG A 18 -6.626 -5.363 6.823 1.00 0.00 N ATOM 0 H ARG A 18 -4.478 -10.151 4.448 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.801 -10.421 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.442 -9.139 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.003 -9.161 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.726 -7.991 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.181 -7.948 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.960 -6.700 7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.751 -5.802 6.058 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.273 -7.204 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.637 -4.707 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.124 -3.814 8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.163 -6.056 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.100 -4.570 7.254 1.00 0.00 H new ATOM 299 N ASP A 19 -2.305 -12.197 7.415 1.00 0.00 N ATOM 300 CA ASP A 19 -2.569 -13.396 8.267 1.00 0.00 C ATOM 301 C ASP A 19 -3.536 -13.018 9.401 1.00 0.00 C ATOM 302 O ASP A 19 -4.264 -13.845 9.911 1.00 0.00 O ATOM 303 CB ASP A 19 -1.238 -13.873 8.872 1.00 0.00 C ATOM 304 CG ASP A 19 -0.484 -14.770 7.884 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.034 -15.073 6.837 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.637 -15.139 8.195 1.00 0.00 O ATOM 0 H ASP A 19 -1.350 -11.841 7.463 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.013 -14.189 7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.622 -13.012 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.428 -14.420 9.795 1.00 0.00 H new ATOM 311 N ASP A 20 -3.522 -11.781 9.816 1.00 0.00 N ATOM 312 CA ASP A 20 -4.414 -11.352 10.932 1.00 0.00 C ATOM 313 C ASP A 20 -5.883 -11.574 10.559 1.00 0.00 C ATOM 314 O ASP A 20 -6.644 -12.136 11.323 1.00 0.00 O ATOM 315 CB ASP A 20 -4.179 -9.868 11.209 1.00 0.00 C ATOM 316 CG ASP A 20 -5.088 -9.398 12.347 1.00 0.00 C ATOM 317 OD1 ASP A 20 -5.929 -10.174 12.769 1.00 0.00 O ATOM 318 OD2 ASP A 20 -4.928 -8.266 12.774 1.00 0.00 O ATOM 0 H ASP A 20 -2.930 -11.046 9.429 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.187 -11.942 11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.135 -9.700 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.378 -9.286 10.309 1.00 0.00 H new ATOM 323 N ILE A 21 -6.286 -11.130 9.397 1.00 0.00 N ATOM 324 CA ILE A 21 -7.706 -11.300 8.961 1.00 0.00 C ATOM 325 C ILE A 21 -7.784 -12.388 7.886 1.00 0.00 C ATOM 326 O ILE A 21 -8.844 -12.700 7.383 1.00 0.00 O ATOM 327 CB ILE A 21 -8.227 -9.969 8.408 1.00 0.00 C ATOM 328 CG1 ILE A 21 -7.230 -9.400 7.395 1.00 0.00 C ATOM 329 CG2 ILE A 21 -8.395 -8.975 9.560 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.851 -8.192 6.689 1.00 0.00 C ATOM 0 H ILE A 21 -5.687 -10.652 8.724 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.321 -11.599 9.810 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.186 -10.135 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.310 -9.106 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.962 -10.163 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.766 -8.027 9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.106 -9.373 10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.433 -8.816 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.141 -7.787 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.759 -8.501 6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.096 -7.427 7.425 1.00 0.00 H new ATOM 342 N ARG A 22 -6.664 -12.969 7.534 1.00 0.00 N ATOM 343 CA ARG A 22 -6.658 -14.039 6.489 1.00 0.00 C ATOM 344 C ARG A 22 -7.561 -13.631 5.323 1.00 0.00 C ATOM 345 O ARG A 22 -8.343 -14.419 4.826 1.00 0.00 O ATOM 346 CB ARG A 22 -7.164 -15.356 7.085 1.00 0.00 C ATOM 347 CG ARG A 22 -6.114 -15.911 8.052 1.00 0.00 C ATOM 348 CD ARG A 22 -6.616 -17.224 8.655 1.00 0.00 C ATOM 349 NE ARG A 22 -5.606 -17.756 9.617 1.00 0.00 N ATOM 350 CZ ARG A 22 -4.633 -18.527 9.203 1.00 0.00 C ATOM 351 NH1 ARG A 22 -4.523 -18.828 7.938 1.00 0.00 N ATOM 352 NH2 ARG A 22 -3.768 -18.997 10.061 1.00 0.00 N ATOM 0 H ARG A 22 -5.749 -12.747 7.927 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.638 -14.174 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.107 -15.193 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.360 -16.076 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.173 -16.076 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.915 -15.188 8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.566 -17.062 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.798 -17.952 7.864 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.675 -17.516 10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.197 -18.462 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.763 -19.429 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.852 -18.763 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.008 -19.598 9.742 1.00 0.00 H new ATOM 366 N LYS A 23 -7.460 -12.401 4.884 1.00 0.00 N ATOM 367 CA LYS A 23 -8.313 -11.927 3.752 1.00 0.00 C ATOM 368 C LYS A 23 -7.487 -11.081 2.794 1.00 0.00 C ATOM 369 O LYS A 23 -6.422 -10.601 3.127 1.00 0.00 O ATOM 370 CB LYS A 23 -9.477 -11.098 4.303 1.00 0.00 C ATOM 371 CG LYS A 23 -10.556 -12.027 4.884 1.00 0.00 C ATOM 372 CD LYS A 23 -11.493 -12.510 3.768 1.00 0.00 C ATOM 373 CE LYS A 23 -12.576 -13.402 4.365 1.00 0.00 C ATOM 374 NZ LYS A 23 -11.974 -14.707 4.757 1.00 0.00 N ATOM 0 H LYS A 23 -6.821 -11.702 5.263 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.704 -12.790 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.117 -10.418 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.903 -10.483 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.087 -12.882 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.128 -11.500 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.947 -11.656 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.927 -13.060 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.024 -12.919 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.375 -13.559 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.730 -15.392 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.380 -15.063 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.390 -14.578 5.608 1.00 0.00 H new ATOM 388 N TYR A 24 -7.975 -10.913 1.594 1.00 0.00 N ATOM 389 CA TYR A 24 -7.227 -10.122 0.584 1.00 0.00 C ATOM 390 C TYR A 24 -7.522 -8.637 0.756 1.00 0.00 C ATOM 391 O TYR A 24 -8.660 -8.224 0.886 1.00 0.00 O ATOM 392 CB TYR A 24 -7.667 -10.566 -0.810 1.00 0.00 C ATOM 393 CG TYR A 24 -7.201 -11.981 -1.048 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.994 -13.060 -0.639 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.971 -12.214 -1.673 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.556 -14.373 -0.857 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.533 -13.524 -1.890 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.324 -14.604 -1.484 1.00 0.00 C ATOM 399 OH TYR A 24 -5.892 -15.897 -1.697 1.00 0.00 O ATOM 0 H TYR A 24 -8.865 -11.293 1.272 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.157 -10.286 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.752 -10.508 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.250 -9.901 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.943 -12.880 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.359 -11.381 -1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.167 -15.206 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.583 -13.702 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.020 -15.881 -2.143 1.00 0.00 H new ATOM 409 N VAL A 25 -6.499 -7.826 0.745 1.00 0.00 N ATOM 410 CA VAL A 25 -6.702 -6.361 0.898 1.00 0.00 C ATOM 411 C VAL A 25 -5.607 -5.625 0.110 1.00 0.00 C ATOM 412 O VAL A 25 -4.542 -6.165 -0.122 1.00 0.00 O ATOM 413 CB VAL A 25 -6.623 -5.986 2.391 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.996 -6.173 3.047 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.606 -6.886 3.093 1.00 0.00 C ATOM 0 H VAL A 25 -5.528 -8.119 0.636 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.681 -6.075 0.514 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.315 -4.944 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.934 -5.907 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.726 -5.532 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.305 -7.214 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.552 -6.619 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.914 -7.927 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.626 -6.754 2.635 1.00 0.00 H new ATOM 425 N PRO A 26 -5.859 -4.405 -0.301 1.00 0.00 N ATOM 426 CA PRO A 26 -4.868 -3.609 -1.072 1.00 0.00 C ATOM 427 C PRO A 26 -3.454 -3.753 -0.504 1.00 0.00 C ATOM 428 O PRO A 26 -3.203 -3.445 0.643 1.00 0.00 O ATOM 429 CB PRO A 26 -5.372 -2.164 -0.936 1.00 0.00 C ATOM 430 CG PRO A 26 -6.847 -2.270 -0.666 1.00 0.00 C ATOM 431 CD PRO A 26 -7.113 -3.665 -0.086 1.00 0.00 C ATOM 0 HA PRO A 26 -4.793 -3.938 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.862 -1.646 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.181 -1.596 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.165 -1.497 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.416 -2.122 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.365 -3.612 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.950 -4.150 -0.589 1.00 0.00 H new ATOM 439 N TYR A 27 -2.536 -4.232 -1.304 1.00 0.00 N ATOM 440 CA TYR A 27 -1.131 -4.418 -0.834 1.00 0.00 C ATOM 441 C TYR A 27 -0.171 -3.705 -1.783 1.00 0.00 C ATOM 442 O TYR A 27 -0.202 -3.908 -2.981 1.00 0.00 O ATOM 443 CB TYR A 27 -0.811 -5.910 -0.814 1.00 0.00 C ATOM 444 CG TYR A 27 0.612 -6.113 -0.360 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.897 -6.255 1.002 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.645 -6.160 -1.302 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.216 -6.447 1.424 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.967 -6.351 -0.881 1.00 0.00 C ATOM 449 CZ TYR A 27 3.252 -6.495 0.482 1.00 0.00 C ATOM 450 OH TYR A 27 4.553 -6.682 0.899 1.00 0.00 O ATOM 0 H TYR A 27 -2.702 -4.505 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.020 -4.000 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.495 -6.431 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.951 -6.336 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.098 -6.216 1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.423 -6.049 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.436 -6.558 2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.766 -6.387 -1.607 1.00 0.00 H new ATOM 0 HH TYR A 27 5.056 -7.152 0.201 1.00 0.00 H new ATOM 460 N ALA A 28 0.692 -2.878 -1.257 1.00 0.00 N ATOM 461 CA ALA A 28 1.664 -2.159 -2.133 1.00 0.00 C ATOM 462 C ALA A 28 2.939 -1.869 -1.338 1.00 0.00 C ATOM 463 O ALA A 28 2.932 -1.831 -0.124 1.00 0.00 O ATOM 464 CB ALA A 28 1.042 -0.845 -2.638 1.00 0.00 C ATOM 0 H ALA A 28 0.767 -2.669 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 28 1.910 -2.781 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.757 -0.326 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.139 -1.065 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.789 -0.212 -1.788 1.00 0.00 H new ATOM 470 N LEU A 29 4.031 -1.666 -2.028 1.00 0.00 N ATOM 471 CA LEU A 29 5.325 -1.378 -1.342 1.00 0.00 C ATOM 472 C LEU A 29 5.666 0.097 -1.522 1.00 0.00 C ATOM 473 O LEU A 29 5.539 0.645 -2.598 1.00 0.00 O ATOM 474 CB LEU A 29 6.423 -2.233 -1.974 1.00 0.00 C ATOM 475 CG LEU A 29 6.050 -3.716 -1.862 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.130 -4.562 -2.540 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.929 -4.119 -0.382 1.00 0.00 C ATOM 0 H LEU A 29 4.082 -1.688 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 29 5.244 -1.609 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.554 -1.959 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.374 -2.048 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 29 5.091 -3.884 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.868 -5.617 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.204 -4.283 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.088 -4.389 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.664 -5.174 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.882 -3.951 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.156 -3.518 0.097 1.00 0.00 H new ATOM 489 N ILE A 30 6.091 0.743 -0.463 1.00 0.00 N ATOM 490 CA ILE A 30 6.442 2.192 -0.539 1.00 0.00 C ATOM 491 C ILE A 30 7.922 2.383 -0.220 1.00 0.00 C ATOM 492 O ILE A 30 8.430 1.859 0.753 1.00 0.00 O ATOM 493 CB ILE A 30 5.599 2.969 0.469 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.128 2.875 0.062 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.036 4.435 0.476 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.244 3.402 1.192 1.00 0.00 C ATOM 0 H ILE A 30 6.210 0.322 0.458 1.00 0.00 H new ATOM 0 HA ILE A 30 6.242 2.560 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 30 5.733 2.550 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.955 3.452 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.869 1.840 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.435 4.991 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.088 4.500 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.898 4.861 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.197 3.333 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.408 2.807 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.496 4.443 1.396 1.00 0.00 H new ATOM 508 N ARG A 31 8.615 3.137 -1.036 1.00 0.00 N ATOM 509 CA ARG A 31 10.070 3.385 -0.802 1.00 0.00 C ATOM 510 C ARG A 31 10.355 4.881 -0.919 1.00 0.00 C ATOM 511 O ARG A 31 9.836 5.560 -1.781 1.00 0.00 O ATOM 512 CB ARG A 31 10.891 2.627 -1.845 1.00 0.00 C ATOM 513 CG ARG A 31 12.381 2.826 -1.558 1.00 0.00 C ATOM 514 CD ARG A 31 13.208 1.992 -2.538 1.00 0.00 C ATOM 515 NE ARG A 31 12.965 0.547 -2.272 1.00 0.00 N ATOM 516 CZ ARG A 31 13.471 -0.364 -3.060 1.00 0.00 C ATOM 517 NH1 ARG A 31 14.207 -0.018 -4.078 1.00 0.00 N ATOM 518 NH2 ARG A 31 13.239 -1.626 -2.823 1.00 0.00 N ATOM 0 H ARG A 31 8.231 3.596 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 31 10.342 3.039 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.642 1.566 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.650 2.987 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.642 3.880 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.607 2.531 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.935 2.237 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.268 2.222 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 31 12.400 0.267 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.391 0.968 -4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.600 -0.733 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.665 -1.898 -2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.632 -2.341 -3.436 1.00 0.00 H new ATOM 532 N LYS A 32 11.173 5.398 -0.044 1.00 0.00 N ATOM 533 CA LYS A 32 11.494 6.852 -0.083 1.00 0.00 C ATOM 534 C LYS A 32 12.608 7.116 -1.096 1.00 0.00 C ATOM 535 O LYS A 32 13.589 6.400 -1.163 1.00 0.00 O ATOM 536 CB LYS A 32 11.947 7.301 1.302 1.00 0.00 C ATOM 537 CG LYS A 32 12.187 8.811 1.295 1.00 0.00 C ATOM 538 CD LYS A 32 12.532 9.281 2.708 1.00 0.00 C ATOM 539 CE LYS A 32 12.739 10.797 2.701 1.00 0.00 C ATOM 540 NZ LYS A 32 13.871 11.141 1.795 1.00 0.00 N ATOM 0 H LYS A 32 11.635 4.873 0.699 1.00 0.00 H new ATOM 0 HA LYS A 32 10.606 7.410 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.191 7.046 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.861 6.778 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.999 9.057 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.298 9.329 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.731 9.015 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.434 8.781 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.829 11.297 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.947 11.151 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.222 12.093 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.638 10.450 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.544 11.120 0.808 1.00 0.00 H new ATOM 554 N VAL A 33 12.458 8.140 -1.890 1.00 0.00 N ATOM 555 CA VAL A 33 13.497 8.460 -2.907 1.00 0.00 C ATOM 556 C VAL A 33 14.641 9.234 -2.260 1.00 0.00 C ATOM 557 O VAL A 33 14.428 10.194 -1.546 1.00 0.00 O ATOM 558 CB VAL A 33 12.873 9.314 -4.006 1.00 0.00 C ATOM 559 CG1 VAL A 33 13.938 9.676 -5.043 1.00 0.00 C ATOM 560 CG2 VAL A 33 11.745 8.529 -4.674 1.00 0.00 C ATOM 0 H VAL A 33 11.657 8.771 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 33 13.885 7.533 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 33 12.471 10.231 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.490 10.286 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.740 10.236 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.345 8.764 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.296 9.135 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.146 7.613 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.987 8.278 -3.932 1.00 0.00 H new ATOM 643 N THR A 39 14.760 -1.255 4.728 1.00 0.00 N ATOM 644 CA THR A 39 13.604 -2.041 5.237 1.00 0.00 C ATOM 645 C THR A 39 12.279 -1.413 4.750 1.00 0.00 C ATOM 646 O THR A 39 11.837 -0.411 5.280 1.00 0.00 O ATOM 647 CB THR A 39 13.633 -2.071 6.762 1.00 0.00 C ATOM 648 OG1 THR A 39 14.951 -2.382 7.190 1.00 0.00 O ATOM 649 CG2 THR A 39 12.660 -3.145 7.257 1.00 0.00 C ATOM 0 HA THR A 39 13.673 -3.060 4.856 1.00 0.00 H new ATOM 0 HB THR A 39 13.339 -1.102 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.587 -2.156 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.674 -3.174 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.653 -2.910 6.913 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.960 -4.117 6.864 1.00 0.00 H new ATOM 657 N PRO A 40 11.643 -1.977 3.742 1.00 0.00 N ATOM 658 CA PRO A 40 10.370 -1.418 3.199 1.00 0.00 C ATOM 659 C PRO A 40 9.166 -1.718 4.099 1.00 0.00 C ATOM 660 O PRO A 40 9.097 -2.755 4.729 1.00 0.00 O ATOM 661 CB PRO A 40 10.237 -2.105 1.831 1.00 0.00 C ATOM 662 CG PRO A 40 10.917 -3.426 1.999 1.00 0.00 C ATOM 663 CD PRO A 40 12.041 -3.205 3.020 1.00 0.00 C ATOM 0 HA PRO A 40 10.390 -0.330 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.191 -2.231 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.708 -1.515 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.215 -4.182 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.318 -3.780 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.134 -4.053 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.006 -3.082 2.529 1.00 0.00 H new ATOM 671 N ILE A 41 8.222 -0.809 4.159 1.00 0.00 N ATOM 672 CA ILE A 41 7.010 -1.010 5.009 1.00 0.00 C ATOM 673 C ILE A 41 5.776 -1.101 4.103 1.00 0.00 C ATOM 674 O ILE A 41 5.194 -0.094 3.748 1.00 0.00 O ATOM 675 CB ILE A 41 6.844 0.184 5.948 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.168 0.453 6.676 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.743 -0.118 6.967 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.659 -0.815 7.394 1.00 0.00 C ATOM 0 H ILE A 41 8.242 0.074 3.648 1.00 0.00 H new ATOM 0 HA ILE A 41 7.119 -1.925 5.591 1.00 0.00 H new ATOM 0 HB ILE A 41 6.567 1.066 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.920 0.787 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.035 1.258 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.624 0.733 7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.804 -0.302 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.015 -1.000 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.599 -0.604 7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.914 -1.132 8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.813 -1.610 6.664 1.00 0.00 H new ATOM 690 N PRO A 42 5.374 -2.291 3.726 1.00 0.00 N ATOM 691 CA PRO A 42 4.185 -2.485 2.845 1.00 0.00 C ATOM 692 C PRO A 42 2.947 -1.764 3.383 1.00 0.00 C ATOM 693 O PRO A 42 2.702 -1.729 4.573 1.00 0.00 O ATOM 694 CB PRO A 42 3.979 -4.009 2.841 1.00 0.00 C ATOM 695 CG PRO A 42 5.319 -4.585 3.167 1.00 0.00 C ATOM 696 CD PRO A 42 6.005 -3.572 4.083 1.00 0.00 C ATOM 0 HA PRO A 42 4.340 -2.071 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.232 -4.308 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.626 -4.356 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.218 -5.551 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.903 -4.750 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.850 -3.815 5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.082 -3.547 3.917 1.00 0.00 H new ATOM 704 N THR A 43 2.170 -1.177 2.509 1.00 0.00 N ATOM 705 CA THR A 43 0.953 -0.439 2.958 1.00 0.00 C ATOM 706 C THR A 43 -0.279 -1.324 2.779 1.00 0.00 C ATOM 707 O THR A 43 -0.446 -1.990 1.770 1.00 0.00 O ATOM 708 CB THR A 43 0.798 0.837 2.128 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.505 1.365 2.316 1.00 0.00 O ATOM 710 CG2 THR A 43 1.018 0.527 0.648 1.00 0.00 C ATOM 0 H THR A 43 2.327 -1.178 1.501 1.00 0.00 H new ATOM 0 HA THR A 43 1.054 -0.176 4.011 1.00 0.00 H new ATOM 0 HB THR A 43 1.539 1.568 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.785 1.840 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.906 1.441 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.022 0.126 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.284 -0.207 0.317 1.00 0.00 H new ATOM 718 N THR A 44 -1.140 -1.338 3.765 1.00 0.00 N ATOM 719 CA THR A 44 -2.374 -2.171 3.696 1.00 0.00 C ATOM 720 C THR A 44 -3.564 -1.324 4.109 1.00 0.00 C ATOM 721 O THR A 44 -3.415 -0.301 4.746 1.00 0.00 O ATOM 722 CB THR A 44 -2.247 -3.353 4.654 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.125 -2.870 5.987 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.013 -4.168 4.282 1.00 0.00 C ATOM 0 H THR A 44 -1.037 -0.800 4.625 1.00 0.00 H new ATOM 0 HA THR A 44 -2.511 -2.539 2.679 1.00 0.00 H new ATOM 0 HB THR A 44 -3.132 -3.985 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.045 -3.628 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.917 -5.014 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.113 -4.534 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.126 -3.539 4.357 1.00 0.00 H new ATOM 732 N TYR A 45 -4.747 -1.745 3.757 1.00 0.00 N ATOM 733 CA TYR A 45 -5.958 -0.971 4.136 1.00 0.00 C ATOM 734 C TYR A 45 -7.086 -1.958 4.497 1.00 0.00 C ATOM 735 O TYR A 45 -7.237 -2.962 3.836 1.00 0.00 O ATOM 736 CB TYR A 45 -6.394 -0.096 2.943 1.00 0.00 C ATOM 737 CG TYR A 45 -7.084 1.152 3.449 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.363 2.078 4.209 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.438 1.380 3.166 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.988 3.232 4.687 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.066 2.537 3.646 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.340 3.462 4.407 1.00 0.00 C ATOM 743 OH TYR A 45 -8.955 4.603 4.878 1.00 0.00 O ATOM 0 H TYR A 45 -4.926 -2.595 3.222 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.743 -0.331 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.526 0.175 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.067 -0.657 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.320 1.901 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.996 0.665 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.428 3.947 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.109 2.715 3.429 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.893 4.610 4.594 1.00 0.00 H new ATOM 753 N PRO A 46 -7.879 -1.673 5.519 1.00 0.00 N ATOM 754 CA PRO A 46 -9.027 -2.549 5.932 1.00 0.00 C ATOM 755 C PRO A 46 -9.905 -3.011 4.745 1.00 0.00 C ATOM 756 O PRO A 46 -9.424 -3.480 3.734 1.00 0.00 O ATOM 757 CB PRO A 46 -9.848 -1.640 6.870 1.00 0.00 C ATOM 758 CG PRO A 46 -8.874 -0.659 7.438 1.00 0.00 C ATOM 759 CD PRO A 46 -7.754 -0.494 6.404 1.00 0.00 C ATOM 0 HA PRO A 46 -8.673 -3.472 6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.643 -1.131 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.324 -2.221 7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.360 0.296 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.474 -1.017 8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.866 0.434 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.775 -0.461 6.883 1.00 0.00 H new ATOM 767 N GLU A 47 -11.199 -2.872 4.876 1.00 0.00 N ATOM 768 CA GLU A 47 -12.129 -3.279 3.785 1.00 0.00 C ATOM 769 C GLU A 47 -11.723 -4.637 3.216 1.00 0.00 C ATOM 770 O GLU A 47 -10.877 -5.327 3.751 1.00 0.00 O ATOM 771 CB GLU A 47 -12.103 -2.229 2.658 1.00 0.00 C ATOM 772 CG GLU A 47 -12.690 -0.899 3.167 1.00 0.00 C ATOM 773 CD GLU A 47 -11.608 -0.076 3.878 1.00 0.00 C ATOM 774 OE1 GLU A 47 -10.508 -0.579 4.031 1.00 0.00 O ATOM 775 OE2 GLU A 47 -11.897 1.050 4.246 1.00 0.00 O ATOM 0 H GLU A 47 -11.655 -2.489 5.704 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.135 -3.352 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.080 -2.077 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.677 -2.586 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.098 -0.331 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.515 -1.096 3.852 1.00 0.00 H new ATOM 782 N PHE A 48 -12.331 -5.034 2.129 1.00 0.00 N ATOM 783 CA PHE A 48 -11.991 -6.351 1.523 1.00 0.00 C ATOM 784 C PHE A 48 -12.095 -6.263 0.004 1.00 0.00 C ATOM 785 O PHE A 48 -12.896 -5.522 -0.532 1.00 0.00 O ATOM 786 CB PHE A 48 -12.974 -7.403 2.033 1.00 0.00 C ATOM 787 CG PHE A 48 -12.977 -7.406 3.542 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.958 -8.060 4.240 1.00 0.00 C ATOM 789 CD2 PHE A 48 -14.000 -6.756 4.242 1.00 0.00 C ATOM 790 CE1 PHE A 48 -11.960 -8.066 5.639 1.00 0.00 C ATOM 791 CE2 PHE A 48 -14.003 -6.761 5.641 1.00 0.00 C ATOM 792 CZ PHE A 48 -12.982 -7.416 6.340 1.00 0.00 C ATOM 0 H PHE A 48 -13.048 -4.502 1.636 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.973 -6.625 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.975 -7.191 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.695 -8.388 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.169 -8.561 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.787 -6.251 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.173 -8.572 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.792 -6.260 6.181 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.983 -7.420 7.420 1.00 0.00 H new ATOM 802 N TYR A 49 -11.299 -7.027 -0.695 1.00 0.00 N ATOM 803 CA TYR A 49 -11.357 -7.009 -2.181 1.00 0.00 C ATOM 804 C TYR A 49 -11.035 -8.406 -2.712 1.00 0.00 C ATOM 805 O TYR A 49 -9.900 -8.839 -2.703 1.00 0.00 O ATOM 806 CB TYR A 49 -10.337 -6.001 -2.720 1.00 0.00 C ATOM 807 CG TYR A 49 -10.837 -4.598 -2.466 1.00 0.00 C ATOM 808 CD1 TYR A 49 -10.665 -4.010 -1.207 1.00 0.00 C ATOM 809 CD2 TYR A 49 -11.475 -3.889 -3.488 1.00 0.00 C ATOM 810 CE1 TYR A 49 -11.131 -2.710 -0.973 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.940 -2.589 -3.254 1.00 0.00 C ATOM 812 CZ TYR A 49 -11.768 -2.000 -1.997 1.00 0.00 C ATOM 813 OH TYR A 49 -12.227 -0.720 -1.766 1.00 0.00 O ATOM 0 H TYR A 49 -10.609 -7.664 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.355 -6.717 -2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.372 -6.149 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.184 -6.157 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.173 -4.558 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.609 -4.344 -4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.999 -2.256 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.432 -2.041 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.643 -0.370 -2.581 1.00 0.00 H new ATOM 823 N ASP A 50 -12.029 -9.111 -3.179 1.00 0.00 N ATOM 824 CA ASP A 50 -11.792 -10.474 -3.722 1.00 0.00 C ATOM 825 C ASP A 50 -11.084 -10.346 -5.069 1.00 0.00 C ATOM 826 O ASP A 50 -10.515 -11.291 -5.580 1.00 0.00 O ATOM 827 CB ASP A 50 -13.134 -11.180 -3.921 1.00 0.00 C ATOM 828 CG ASP A 50 -13.740 -11.536 -2.562 1.00 0.00 C ATOM 829 OD1 ASP A 50 -13.013 -11.506 -1.581 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.924 -11.830 -2.523 1.00 0.00 O ATOM 0 H ASP A 50 -12.999 -8.798 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.179 -11.051 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.816 -10.535 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.995 -12.083 -4.515 1.00 0.00 H new ATOM 835 N LEU A 51 -11.135 -9.179 -5.656 1.00 0.00 N ATOM 836 CA LEU A 51 -10.487 -8.975 -6.983 1.00 0.00 C ATOM 837 C LEU A 51 -9.098 -8.368 -6.796 1.00 0.00 C ATOM 838 O LEU A 51 -8.923 -7.357 -6.144 1.00 0.00 O ATOM 839 CB LEU A 51 -11.353 -8.036 -7.826 1.00 0.00 C ATOM 840 CG LEU A 51 -12.770 -8.612 -7.954 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.635 -7.653 -8.778 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.724 -9.987 -8.644 1.00 0.00 C ATOM 0 H LEU A 51 -11.599 -8.356 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.387 -9.935 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.392 -7.049 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.912 -7.908 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.198 -8.731 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.642 -8.060 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.679 -6.684 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.200 -7.532 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.735 -10.385 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.291 -9.881 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.113 -10.670 -8.054 1.00 0.00 H new ATOM 854 N GLU A 52 -8.111 -8.997 -7.370 1.00 0.00 N ATOM 855 CA GLU A 52 -6.714 -8.499 -7.256 1.00 0.00 C ATOM 856 C GLU A 52 -6.562 -7.195 -8.044 1.00 0.00 C ATOM 857 O GLU A 52 -5.863 -6.287 -7.639 1.00 0.00 O ATOM 858 CB GLU A 52 -5.779 -9.567 -7.830 1.00 0.00 C ATOM 859 CG GLU A 52 -6.024 -9.712 -9.338 1.00 0.00 C ATOM 860 CD GLU A 52 -5.253 -10.920 -9.868 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.180 -11.184 -9.351 1.00 0.00 O ATOM 862 OE2 GLU A 52 -5.747 -11.559 -10.780 1.00 0.00 O ATOM 0 H GLU A 52 -8.216 -9.848 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.466 -8.304 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.740 -9.292 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.950 -10.521 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.089 -9.833 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.705 -8.808 -9.857 1.00 0.00 H new ATOM 869 N ALA A 53 -7.201 -7.106 -9.176 1.00 0.00 N ATOM 870 CA ALA A 53 -7.091 -5.877 -10.009 1.00 0.00 C ATOM 871 C ALA A 53 -7.571 -4.665 -9.208 1.00 0.00 C ATOM 872 O ALA A 53 -6.937 -3.629 -9.182 1.00 0.00 O ATOM 873 CB ALA A 53 -7.969 -6.045 -11.246 1.00 0.00 C ATOM 0 H ALA A 53 -7.799 -7.837 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.053 -5.722 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.898 -5.152 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.632 -6.910 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.005 -6.193 -10.940 1.00 0.00 H new ATOM 879 N ASP A 54 -8.693 -4.792 -8.560 1.00 0.00 N ATOM 880 CA ASP A 54 -9.233 -3.659 -7.760 1.00 0.00 C ATOM 881 C ASP A 54 -8.287 -3.361 -6.594 1.00 0.00 C ATOM 882 O ASP A 54 -8.099 -2.225 -6.204 1.00 0.00 O ATOM 883 CB ASP A 54 -10.607 -4.049 -7.221 1.00 0.00 C ATOM 884 CG ASP A 54 -11.263 -2.841 -6.552 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.588 -1.839 -6.387 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.432 -2.940 -6.219 1.00 0.00 O ATOM 0 H ASP A 54 -9.263 -5.638 -8.550 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.320 -2.770 -8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.236 -4.413 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.509 -4.864 -6.504 1.00 0.00 H new ATOM 891 N ALA A 55 -7.696 -4.378 -6.030 1.00 0.00 N ATOM 892 CA ALA A 55 -6.765 -4.168 -4.887 1.00 0.00 C ATOM 893 C ALA A 55 -5.563 -3.341 -5.354 1.00 0.00 C ATOM 894 O ALA A 55 -5.067 -2.489 -4.645 1.00 0.00 O ATOM 895 CB ALA A 55 -6.286 -5.534 -4.386 1.00 0.00 C ATOM 0 H ALA A 55 -7.819 -5.350 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.274 -3.636 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.603 -5.395 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.143 -6.124 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.771 -6.057 -5.192 1.00 0.00 H new ATOM 901 N GLU A 56 -5.091 -3.591 -6.544 1.00 0.00 N ATOM 902 CA GLU A 56 -3.921 -2.826 -7.059 1.00 0.00 C ATOM 903 C GLU A 56 -4.294 -1.347 -7.195 1.00 0.00 C ATOM 904 O GLU A 56 -3.573 -0.470 -6.765 1.00 0.00 O ATOM 905 CB GLU A 56 -3.535 -3.378 -8.433 1.00 0.00 C ATOM 906 CG GLU A 56 -2.964 -4.789 -8.282 1.00 0.00 C ATOM 907 CD GLU A 56 -2.682 -5.379 -9.666 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.882 -4.672 -10.641 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.271 -6.526 -9.728 1.00 0.00 O ATOM 0 H GLU A 56 -5.465 -4.293 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.084 -2.925 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.408 -3.397 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.799 -2.726 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.047 -4.760 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.669 -5.422 -7.742 1.00 0.00 H new ATOM 916 N ARG A 57 -5.416 -1.067 -7.797 1.00 0.00 N ATOM 917 CA ARG A 57 -5.839 0.352 -7.968 1.00 0.00 C ATOM 918 C ARG A 57 -6.054 0.986 -6.589 1.00 0.00 C ATOM 919 O ARG A 57 -5.619 2.088 -6.316 1.00 0.00 O ATOM 920 CB ARG A 57 -7.156 0.378 -8.765 1.00 0.00 C ATOM 921 CG ARG A 57 -7.243 1.651 -9.617 1.00 0.00 C ATOM 922 CD ARG A 57 -7.191 2.885 -8.715 1.00 0.00 C ATOM 923 NE ARG A 57 -7.672 4.070 -9.479 1.00 0.00 N ATOM 924 CZ ARG A 57 -7.373 5.279 -9.082 1.00 0.00 C ATOM 925 NH1 ARG A 57 -6.620 5.461 -8.035 1.00 0.00 N ATOM 926 NH2 ARG A 57 -7.830 6.308 -9.741 1.00 0.00 N ATOM 0 H ARG A 57 -6.060 -1.760 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.073 0.913 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.217 -0.501 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.003 0.333 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.421 1.677 -10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.168 1.650 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.810 2.731 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.172 3.052 -8.365 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.238 3.937 -10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.260 4.658 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.390 6.407 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.418 6.167 -10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.599 7.253 -9.435 1.00 0.00 H new ATOM 940 N VAL A 58 -6.735 0.288 -5.730 1.00 0.00 N ATOM 941 CA VAL A 58 -7.007 0.818 -4.370 1.00 0.00 C ATOM 942 C VAL A 58 -5.689 0.988 -3.615 1.00 0.00 C ATOM 943 O VAL A 58 -5.476 1.964 -2.931 1.00 0.00 O ATOM 944 CB VAL A 58 -7.911 -0.165 -3.627 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.075 0.281 -2.170 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.287 -0.215 -4.303 1.00 0.00 C ATOM 0 H VAL A 58 -7.120 -0.639 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.502 1.787 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.458 -1.156 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.720 -0.423 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.099 0.309 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.523 1.274 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.929 -0.917 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.739 0.777 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.173 -0.541 -5.337 1.00 0.00 H new ATOM 956 N SER A 59 -4.807 0.036 -3.721 1.00 0.00 N ATOM 957 CA SER A 59 -3.510 0.139 -3.000 1.00 0.00 C ATOM 958 C SER A 59 -2.814 1.449 -3.381 1.00 0.00 C ATOM 959 O SER A 59 -2.226 2.113 -2.551 1.00 0.00 O ATOM 960 CB SER A 59 -2.630 -1.047 -3.386 1.00 0.00 C ATOM 961 OG SER A 59 -3.306 -2.257 -3.077 1.00 0.00 O ATOM 0 H SER A 59 -4.929 -0.811 -4.277 1.00 0.00 H new ATOM 0 HA SER A 59 -3.683 0.129 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.397 -1.010 -4.450 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.682 -1.000 -2.850 1.00 0.00 H new ATOM 0 HG SER A 59 -3.766 -2.588 -3.876 1.00 0.00 H new ATOM 967 N ILE A 60 -2.873 1.831 -4.627 1.00 0.00 N ATOM 968 CA ILE A 60 -2.215 3.102 -5.042 1.00 0.00 C ATOM 969 C ILE A 60 -2.901 4.278 -4.332 1.00 0.00 C ATOM 970 O ILE A 60 -2.259 5.171 -3.806 1.00 0.00 O ATOM 971 CB ILE A 60 -2.359 3.267 -6.560 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.542 2.184 -7.273 1.00 0.00 C ATOM 973 CG2 ILE A 60 -1.859 4.655 -6.987 1.00 0.00 C ATOM 974 CD1 ILE A 60 -1.904 2.169 -8.762 1.00 0.00 C ATOM 0 H ILE A 60 -3.346 1.321 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.159 3.080 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.410 3.168 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.476 2.376 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.744 1.209 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.965 4.764 -8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.447 5.424 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.810 4.764 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.323 1.399 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.967 1.956 -8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.680 3.141 -9.201 1.00 0.00 H new ATOM 986 N ALA A 61 -4.208 4.278 -4.309 1.00 0.00 N ATOM 987 CA ALA A 61 -4.951 5.383 -3.637 1.00 0.00 C ATOM 988 C ALA A 61 -4.732 5.308 -2.125 1.00 0.00 C ATOM 989 O ALA A 61 -4.529 6.306 -1.460 1.00 0.00 O ATOM 990 CB ALA A 61 -6.440 5.233 -3.952 1.00 0.00 C ATOM 0 H ALA A 61 -4.795 3.557 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.590 6.347 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.997 6.035 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.591 5.287 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.795 4.270 -3.584 1.00 0.00 H new ATOM 996 N CYS A 62 -4.767 4.126 -1.578 1.00 0.00 N ATOM 997 CA CYS A 62 -4.556 3.971 -0.115 1.00 0.00 C ATOM 998 C CYS A 62 -3.117 4.350 0.227 1.00 0.00 C ATOM 999 O CYS A 62 -2.845 4.957 1.244 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.813 2.519 0.283 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.571 2.135 0.084 1.00 0.00 S ATOM 0 H CYS A 62 -4.934 3.257 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.243 4.621 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.213 1.851 -0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.510 2.356 1.317 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.076 1.806 1.236 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.193 3.995 -0.619 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.768 4.327 -0.352 1.00 0.00 C ATOM 1009 C ALA A 63 -0.633 5.835 -0.147 1.00 0.00 C ATOM 1010 O ALA A 63 0.050 6.294 0.747 1.00 0.00 O ATOM 1011 CB ALA A 63 0.074 3.902 -1.553 1.00 0.00 C ATOM 0 H ALA A 63 -2.364 3.487 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.426 3.805 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.121 4.142 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.030 2.828 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.267 4.432 -2.442 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.280 6.614 -0.968 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.188 8.092 -0.814 1.00 0.00 C ATOM 1019 C LYS A 64 -1.773 8.503 0.540 1.00 0.00 C ATOM 1020 O LYS A 64 -1.232 9.341 1.234 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.980 8.766 -1.931 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.282 8.520 -3.273 1.00 0.00 C ATOM 1023 CD LYS A 64 -1.960 9.337 -4.385 1.00 0.00 C ATOM 1024 CE LYS A 64 -3.226 8.631 -4.871 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.872 7.268 -5.349 1.00 0.00 N ATOM 0 H LYS A 64 -1.867 6.292 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.143 8.399 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.996 8.372 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.059 9.836 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.230 8.796 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.317 7.459 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.210 10.331 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.270 9.473 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.955 8.568 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.690 9.202 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.672 6.867 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.039 7.323 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.656 6.659 -4.534 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.876 7.920 0.920 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.498 8.276 2.228 1.00 0.00 C ATOM 1041 C ILE A 65 -2.552 7.880 3.367 1.00 0.00 C ATOM 1042 O ILE A 65 -2.358 8.613 4.316 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.826 7.527 2.376 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.830 8.068 1.353 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.378 7.725 3.792 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.076 7.175 1.321 1.00 0.00 C ATOM 0 H ILE A 65 -3.375 7.212 0.381 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.680 9.350 2.269 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.663 6.463 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.111 9.089 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.372 8.103 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.323 7.190 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.663 7.338 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.541 8.787 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.785 7.566 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.790 6.161 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.540 7.162 2.307 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.970 6.715 3.280 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.042 6.253 4.351 1.00 0.00 C ATOM 1060 C ILE A 66 0.173 7.183 4.414 1.00 0.00 C ATOM 1061 O ILE A 66 0.627 7.561 5.475 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.580 4.828 4.033 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.768 3.852 4.131 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.529 4.400 4.998 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.382 3.841 5.545 1.00 0.00 C ATOM 0 H ILE A 66 -2.098 6.060 2.509 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.555 6.267 5.312 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.187 4.808 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.531 4.133 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.436 2.847 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.847 3.385 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.377 5.078 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.154 4.432 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.217 3.141 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.626 3.534 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.738 4.840 5.795 1.00 0.00 H new ATOM 1077 N ILE A 67 0.714 7.545 3.284 1.00 0.00 N ATOM 1078 CA ILE A 67 1.903 8.441 3.285 1.00 0.00 C ATOM 1079 C ILE A 67 1.524 9.796 3.894 1.00 0.00 C ATOM 1080 O ILE A 67 2.238 10.346 4.712 1.00 0.00 O ATOM 1081 CB ILE A 67 2.367 8.640 1.838 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.935 7.324 1.294 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.446 9.725 1.782 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.079 7.418 -0.227 1.00 0.00 C ATOM 0 H ILE A 67 0.385 7.260 2.362 1.00 0.00 H new ATOM 0 HA ILE A 67 2.704 7.997 3.876 1.00 0.00 H new ATOM 0 HB ILE A 67 1.517 8.948 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.904 7.118 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.277 6.496 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.772 9.862 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.039 10.662 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.296 9.424 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.483 6.482 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.102 7.603 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.754 8.236 -0.479 1.00 0.00 H new ATOM 1096 N ASP A 68 0.405 10.336 3.502 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.025 11.653 4.053 1.00 0.00 C ATOM 1098 C ASP A 68 -0.275 11.524 5.556 1.00 0.00 C ATOM 1099 O ASP A 68 0.085 12.386 6.334 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.310 12.092 3.350 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.992 12.535 1.920 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.169 12.781 1.637 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.918 12.624 1.130 1.00 0.00 O ATOM 0 H ASP A 68 -0.233 9.922 2.822 1.00 0.00 H new ATOM 0 HA ASP A 68 0.755 12.395 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.026 11.271 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.775 12.911 3.899 1.00 0.00 H new ATOM 1108 N SER A 69 -0.894 10.454 5.970 1.00 0.00 N ATOM 1109 CA SER A 69 -1.174 10.261 7.420 1.00 0.00 C ATOM 1110 C SER A 69 0.147 10.095 8.176 1.00 0.00 C ATOM 1111 O SER A 69 0.304 10.568 9.284 1.00 0.00 O ATOM 1112 CB SER A 69 -2.043 9.017 7.610 1.00 0.00 C ATOM 1113 OG SER A 69 -2.664 9.070 8.888 1.00 0.00 O ATOM 0 H SER A 69 -1.220 9.701 5.363 1.00 0.00 H new ATOM 0 HA SER A 69 -1.703 11.130 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.799 8.964 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.434 8.117 7.526 1.00 0.00 H new ATOM 0 HG SER A 69 -3.223 8.275 9.013 1.00 0.00 H new ATOM 1119 N HIS A 70 1.096 9.416 7.589 1.00 0.00 N ATOM 1120 CA HIS A 70 2.402 9.209 8.276 1.00 0.00 C ATOM 1121 C HIS A 70 2.998 10.568 8.644 1.00 0.00 C ATOM 1122 O HIS A 70 3.472 10.775 9.744 1.00 0.00 O ATOM 1123 CB HIS A 70 3.352 8.471 7.334 1.00 0.00 C ATOM 1124 CG HIS A 70 4.666 8.240 8.024 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.772 7.472 9.172 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.940 8.664 7.737 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.069 7.460 9.533 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.825 8.171 8.692 1.00 0.00 N ATOM 0 H HIS A 70 1.022 8.996 6.663 1.00 0.00 H new ATOM 0 HA HIS A 70 2.256 8.620 9.181 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.915 7.519 7.033 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.504 9.053 6.425 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.214 9.286 6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.452 6.939 10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.833 8.320 8.739 1.00 0.00 H new ATOM 1136 N LEU A 71 2.968 11.498 7.733 1.00 0.00 N ATOM 1137 CA LEU A 71 3.518 12.852 8.027 1.00 0.00 C ATOM 1138 C LEU A 71 2.678 13.520 9.119 1.00 0.00 C ATOM 1139 O LEU A 71 3.189 14.212 9.979 1.00 0.00 O ATOM 1140 CB LEU A 71 3.476 13.696 6.754 1.00 0.00 C ATOM 1141 CG LEU A 71 4.192 12.957 5.619 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.075 13.773 4.327 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.677 12.765 5.975 1.00 0.00 C ATOM 0 H LEU A 71 2.586 11.380 6.795 1.00 0.00 H new ATOM 0 HA LEU A 71 4.548 12.764 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.442 13.897 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.952 14.660 6.930 1.00 0.00 H new ATOM 0 HG LEU A 71 3.730 11.980 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.584 13.249 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.023 13.901 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.535 14.751 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.181 12.239 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.145 13.739 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.759 12.181 6.892 1.00 0.00 H new ATOM 1155 N ASP A 72 1.388 13.332 9.082 1.00 0.00 N ATOM 1156 CA ASP A 72 0.503 13.959 10.104 1.00 0.00 C ATOM 1157 C ASP A 72 0.421 13.062 11.343 1.00 0.00 C ATOM 1158 O ASP A 72 0.981 13.366 12.379 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.895 14.128 9.508 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.827 14.770 10.538 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -1.406 14.935 11.670 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.949 15.081 10.174 1.00 0.00 O ATOM 0 H ASP A 72 0.906 12.767 8.383 1.00 0.00 H new ATOM 0 HA ASP A 72 0.908 14.929 10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.846 14.748 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.289 13.159 9.203 1.00 0.00 H new ATOM 1237 N GLY A 77 4.544 4.738 10.644 1.00 0.00 N ATOM 1238 CA GLY A 77 4.209 4.356 9.240 1.00 0.00 C ATOM 1239 C GLY A 77 5.495 4.121 8.439 1.00 0.00 C ATOM 1240 O GLY A 77 5.961 3.006 8.312 1.00 0.00 O ATOM 0 HA2 GLY A 77 3.598 3.453 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.618 5.143 8.772 1.00 0.00 H new ATOM 1244 N LEU A 78 6.064 5.168 7.890 1.00 0.00 N ATOM 1245 CA LEU A 78 7.316 5.034 7.079 1.00 0.00 C ATOM 1246 C LEU A 78 8.484 5.681 7.832 1.00 0.00 C ATOM 1247 O LEU A 78 9.402 6.214 7.240 1.00 0.00 O ATOM 1248 CB LEU A 78 7.110 5.728 5.732 1.00 0.00 C ATOM 1249 CG LEU A 78 5.806 5.228 5.096 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.619 5.881 3.724 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.847 3.700 4.938 1.00 0.00 C ATOM 0 H LEU A 78 5.710 6.121 7.971 1.00 0.00 H new ATOM 0 HA LEU A 78 7.544 3.981 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.070 6.809 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.952 5.522 5.072 1.00 0.00 H new ATOM 0 HG LEU A 78 4.971 5.496 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.692 5.524 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.573 6.964 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.459 5.620 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.917 3.356 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.685 3.423 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.968 3.236 5.917 1.00 0.00 H new ATOM 1263 N ALA A 79 8.449 5.640 9.135 1.00 0.00 N ATOM 1264 CA ALA A 79 9.547 6.247 9.942 1.00 0.00 C ATOM 1265 C ALA A 79 10.865 5.515 9.664 1.00 0.00 C ATOM 1266 O ALA A 79 11.925 6.109 9.640 1.00 0.00 O ATOM 1267 CB ALA A 79 9.204 6.119 11.424 1.00 0.00 C ATOM 0 H ALA A 79 7.702 5.209 9.680 1.00 0.00 H new ATOM 0 HA ALA A 79 9.657 7.297 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.002 6.560 12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.268 6.639 11.627 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.097 5.066 11.683 1.00 0.00 H new ATOM 1273 N ASP A 80 10.810 4.224 9.475 1.00 0.00 N ATOM 1274 CA ASP A 80 12.063 3.454 9.220 1.00 0.00 C ATOM 1275 C ASP A 80 12.754 3.985 7.959 1.00 0.00 C ATOM 1276 O ASP A 80 13.948 4.198 7.935 1.00 0.00 O ATOM 1277 CB ASP A 80 11.715 1.976 9.022 1.00 0.00 C ATOM 1278 CG ASP A 80 10.797 1.826 7.809 1.00 0.00 C ATOM 1279 OD1 ASP A 80 9.954 2.687 7.617 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.953 0.852 7.091 1.00 0.00 O ATOM 0 H ASP A 80 9.954 3.670 9.486 1.00 0.00 H new ATOM 0 HA ASP A 80 12.734 3.566 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.625 1.394 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.225 1.584 9.913 1.00 0.00 H new ATOM 1285 N LEU A 81 12.009 4.194 6.911 1.00 0.00 N ATOM 1286 CA LEU A 81 12.616 4.705 5.647 1.00 0.00 C ATOM 1287 C LEU A 81 13.178 6.115 5.862 1.00 0.00 C ATOM 1288 O LEU A 81 14.245 6.445 5.384 1.00 0.00 O ATOM 1289 CB LEU A 81 11.536 4.744 4.561 1.00 0.00 C ATOM 1290 CG LEU A 81 11.163 3.313 4.136 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.839 3.345 3.365 1.00 0.00 C ATOM 1292 CD2 LEU A 81 12.258 2.708 3.233 1.00 0.00 C ATOM 0 H LEU A 81 11.002 4.033 6.873 1.00 0.00 H new ATOM 0 HA LEU A 81 13.430 4.047 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.653 5.263 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.896 5.306 3.699 1.00 0.00 H new ATOM 0 HG LEU A 81 11.066 2.698 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.570 2.333 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.056 3.752 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.948 3.972 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.974 1.696 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.373 3.322 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.202 2.678 3.776 1.00 0.00 H new ATOM 1304 N GLY A 82 12.471 6.952 6.570 1.00 0.00 N ATOM 1305 CA GLY A 82 12.977 8.334 6.796 1.00 0.00 C ATOM 1306 C GLY A 82 11.852 9.207 7.345 1.00 0.00 C ATOM 1307 O GLY A 82 10.710 8.779 7.273 1.00 0.00 O ATOM 1308 OXT GLY A 82 12.146 10.287 7.827 1.00 0.00 O ATOM 0 H GLY A 82 11.570 6.740 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.812 8.316 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.353 8.752 5.862 1.00 0.00 H new