USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 807 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 158:sc= -1.4 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 0.183 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 37:sc= -0.0205 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 48 CYS SG : rot -97:sc= -1.64 USER MOD Single : A 52 SER OG : rot 180:sc= 0.211 USER MOD Single : A 59 ASN : amide:sc= -1.18! C(o=-1.2!,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 57:sc= -0.442 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -50:sc= 0.985 USER MOD Single : A 87 ASN : amide:sc= -3.4! C(o=-3.4!,f=-8.4!) USER MOD Single : A 92 SER OG : rot -170:sc= 0.0866 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 47:sc= 0.836 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.238 24.492 11.752 1.00 0.00 N ATOM 2 CA GLY A 1 -10.931 23.124 12.134 1.00 0.00 C ATOM 3 C GLY A 1 -9.719 23.074 13.066 1.00 0.00 C ATOM 4 O GLY A 1 -9.237 24.111 13.519 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.213 24.720 12.032 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.580 25.141 12.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.141 24.595 10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.794 22.679 12.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.733 22.529 11.242 1.00 0.00 H new ATOM 8 N SER A 2 -9.262 21.858 13.325 1.00 0.00 N ATOM 9 CA SER A 2 -8.116 21.659 14.195 1.00 0.00 C ATOM 10 C SER A 2 -6.825 21.675 13.373 1.00 0.00 C ATOM 11 O SER A 2 -6.867 21.612 12.145 1.00 0.00 O ATOM 12 CB SER A 2 -8.234 20.345 14.970 1.00 0.00 C ATOM 13 OG SER A 2 -9.433 20.284 15.737 1.00 0.00 O ATOM 0 H SER A 2 -9.665 21.000 12.947 1.00 0.00 H new ATOM 0 HA SER A 2 -8.090 22.475 14.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.207 19.509 14.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.375 20.236 15.631 1.00 0.00 H new ATOM 0 HG SER A 2 -9.472 19.430 16.216 1.00 0.00 H new ATOM 19 N SER A 3 -5.710 21.761 14.083 1.00 0.00 N ATOM 20 CA SER A 3 -4.410 21.787 13.434 1.00 0.00 C ATOM 21 C SER A 3 -4.205 20.506 12.623 1.00 0.00 C ATOM 22 O SER A 3 -3.955 19.442 13.188 1.00 0.00 O ATOM 23 CB SER A 3 -3.286 21.952 14.459 1.00 0.00 C ATOM 24 OG SER A 3 -3.423 21.047 15.552 1.00 0.00 O ATOM 0 H SER A 3 -5.680 21.814 15.101 1.00 0.00 H new ATOM 0 HA SER A 3 -4.380 22.644 12.761 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.324 21.789 13.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.284 22.976 14.834 1.00 0.00 H new ATOM 0 HG SER A 3 -3.639 20.154 15.212 1.00 0.00 H new ATOM 30 N GLY A 4 -4.317 20.650 11.310 1.00 0.00 N ATOM 31 CA GLY A 4 -4.147 19.518 10.416 1.00 0.00 C ATOM 32 C GLY A 4 -3.468 19.945 9.113 1.00 0.00 C ATOM 33 O GLY A 4 -4.002 20.768 8.371 1.00 0.00 O ATOM 0 H GLY A 4 -4.523 21.534 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.550 18.749 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.118 19.075 10.196 1.00 0.00 H new ATOM 37 N SER A 5 -2.299 19.368 8.876 1.00 0.00 N ATOM 38 CA SER A 5 -1.541 19.679 7.676 1.00 0.00 C ATOM 39 C SER A 5 -1.337 18.412 6.843 1.00 0.00 C ATOM 40 O SER A 5 -0.543 17.546 7.207 1.00 0.00 O ATOM 41 CB SER A 5 -0.190 20.308 8.025 1.00 0.00 C ATOM 42 OG SER A 5 -0.309 21.696 8.321 1.00 0.00 O ATOM 0 H SER A 5 -1.858 18.687 9.494 1.00 0.00 H new ATOM 0 HA SER A 5 -2.108 20.403 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.241 19.790 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.499 20.173 7.191 1.00 0.00 H new ATOM 0 HG SER A 5 0.574 22.061 8.540 1.00 0.00 H new ATOM 48 N SER A 6 -2.068 18.344 5.740 1.00 0.00 N ATOM 49 CA SER A 6 -1.977 17.197 4.852 1.00 0.00 C ATOM 50 C SER A 6 -0.512 16.899 4.531 1.00 0.00 C ATOM 51 O SER A 6 0.323 17.802 4.527 1.00 0.00 O ATOM 52 CB SER A 6 -2.765 17.436 3.562 1.00 0.00 C ATOM 53 OG SER A 6 -4.085 16.904 3.637 1.00 0.00 O ATOM 0 H SER A 6 -2.726 19.064 5.441 1.00 0.00 H new ATOM 0 HA SER A 6 -2.413 16.336 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.816 18.506 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.237 16.980 2.725 1.00 0.00 H new ATOM 0 HG SER A 6 -4.556 17.078 2.796 1.00 0.00 H new ATOM 59 N GLY A 7 -0.243 15.628 4.269 1.00 0.00 N ATOM 60 CA GLY A 7 1.107 15.199 3.948 1.00 0.00 C ATOM 61 C GLY A 7 1.092 14.045 2.943 1.00 0.00 C ATOM 62 O GLY A 7 0.605 14.198 1.824 1.00 0.00 O ATOM 0 H GLY A 7 -0.938 14.881 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.670 16.037 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.619 14.887 4.858 1.00 0.00 H new ATOM 66 N PRO A 8 1.644 12.885 3.391 1.00 0.00 N ATOM 67 CA PRO A 8 1.698 11.706 2.544 1.00 0.00 C ATOM 68 C PRO A 8 0.321 11.048 2.432 1.00 0.00 C ATOM 69 O PRO A 8 -0.392 10.920 3.426 1.00 0.00 O ATOM 70 CB PRO A 8 2.737 10.804 3.191 1.00 0.00 C ATOM 71 CG PRO A 8 2.887 11.300 4.620 1.00 0.00 C ATOM 72 CD PRO A 8 2.229 12.667 4.711 1.00 0.00 C ATOM 0 HA PRO A 8 1.977 11.939 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.417 9.762 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.686 10.856 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.419 10.604 5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.940 11.365 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.467 12.689 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.956 13.441 4.955 1.00 0.00 H new ATOM 80 N THR A 9 -0.011 10.647 1.214 1.00 0.00 N ATOM 81 CA THR A 9 -1.289 10.005 0.959 1.00 0.00 C ATOM 82 C THR A 9 -1.639 9.045 2.097 1.00 0.00 C ATOM 83 O THR A 9 -0.755 8.572 2.810 1.00 0.00 O ATOM 84 CB THR A 9 -1.213 9.325 -0.409 1.00 0.00 C ATOM 85 OG1 THR A 9 0.064 8.692 -0.411 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.132 10.330 -1.559 1.00 0.00 C ATOM 0 H THR A 9 0.583 10.754 0.392 1.00 0.00 H new ATOM 0 HA THR A 9 -2.099 10.734 0.930 1.00 0.00 H new ATOM 0 HB THR A 9 -2.086 8.687 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.196 8.225 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.080 9.795 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.017 10.966 -1.549 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.241 10.947 -1.441 1.00 0.00 H new ATOM 94 N SER A 10 -2.931 8.784 2.232 1.00 0.00 N ATOM 95 CA SER A 10 -3.409 7.888 3.272 1.00 0.00 C ATOM 96 C SER A 10 -2.915 6.465 3.004 1.00 0.00 C ATOM 97 O SER A 10 -2.908 6.012 1.860 1.00 0.00 O ATOM 98 CB SER A 10 -4.937 7.912 3.360 1.00 0.00 C ATOM 99 OG SER A 10 -5.391 8.107 4.696 1.00 0.00 O ATOM 0 H SER A 10 -3.662 9.177 1.639 1.00 0.00 H new ATOM 0 HA SER A 10 -3.012 8.230 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.324 8.709 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.337 6.974 2.974 1.00 0.00 H new ATOM 0 HG SER A 10 -6.371 8.118 4.710 1.00 0.00 H new ATOM 105 N ALA A 11 -2.514 5.800 4.077 1.00 0.00 N ATOM 106 CA ALA A 11 -2.020 4.438 3.972 1.00 0.00 C ATOM 107 C ALA A 11 -3.019 3.597 3.174 1.00 0.00 C ATOM 108 O ALA A 11 -4.189 3.959 3.061 1.00 0.00 O ATOM 109 CB ALA A 11 -1.772 3.875 5.373 1.00 0.00 C ATOM 0 H ALA A 11 -2.521 6.179 5.024 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.070 4.415 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.401 2.853 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.033 4.490 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.704 3.880 5.938 1.00 0.00 H new ATOM 115 N PRO A 12 -2.507 2.461 2.628 1.00 0.00 N ATOM 116 CA PRO A 12 -3.341 1.566 1.844 1.00 0.00 C ATOM 117 C PRO A 12 -4.273 0.754 2.747 1.00 0.00 C ATOM 118 O PRO A 12 -3.963 0.519 3.914 1.00 0.00 O ATOM 119 CB PRO A 12 -2.365 0.700 1.065 1.00 0.00 C ATOM 120 CG PRO A 12 -1.032 0.824 1.785 1.00 0.00 C ATOM 121 CD PRO A 12 -1.126 2.001 2.742 1.00 0.00 C ATOM 0 HA PRO A 12 -4.008 2.098 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.699 -0.337 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.283 1.036 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.805 -0.093 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.225 0.978 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.891 1.701 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.423 2.789 2.472 1.00 0.00 H new ATOM 129 N GLN A 13 -5.395 0.348 2.172 1.00 0.00 N ATOM 130 CA GLN A 13 -6.374 -0.433 2.909 1.00 0.00 C ATOM 131 C GLN A 13 -6.915 -1.567 2.036 1.00 0.00 C ATOM 132 O GLN A 13 -6.712 -1.572 0.823 1.00 0.00 O ATOM 133 CB GLN A 13 -7.510 0.455 3.422 1.00 0.00 C ATOM 134 CG GLN A 13 -7.697 1.679 2.523 1.00 0.00 C ATOM 135 CD GLN A 13 -9.059 2.333 2.764 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.922 1.798 3.442 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.204 3.515 2.173 1.00 0.00 N ATOM 0 H GLN A 13 -5.648 0.545 1.204 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.881 -0.873 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.436 -0.118 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.293 0.777 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.904 2.401 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.611 1.383 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.441 3.905 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.078 4.031 2.273 1.00 0.00 H new ATOM 146 N HIS A 14 -7.594 -2.500 2.688 1.00 0.00 N ATOM 147 CA HIS A 14 -8.166 -3.636 1.986 1.00 0.00 C ATOM 148 C HIS A 14 -7.054 -4.418 1.282 1.00 0.00 C ATOM 149 O HIS A 14 -7.212 -4.831 0.135 1.00 0.00 O ATOM 150 CB HIS A 14 -9.270 -3.184 1.028 1.00 0.00 C ATOM 151 CG HIS A 14 -10.542 -2.753 1.718 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.591 -3.621 1.967 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.923 -1.538 2.208 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.554 -2.948 2.579 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.138 -1.657 2.727 1.00 0.00 N ATOM 0 H HIS A 14 -7.761 -2.492 3.694 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.639 -4.309 2.702 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.897 -2.356 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.499 -4.000 0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.335 -0.633 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.502 -3.351 2.904 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.673 -0.907 3.165 1.00 0.00 H new ATOM 163 N LEU A 15 -5.955 -4.596 2.000 1.00 0.00 N ATOM 164 CA LEU A 15 -4.818 -5.321 1.459 1.00 0.00 C ATOM 165 C LEU A 15 -4.897 -6.785 1.895 1.00 0.00 C ATOM 166 O LEU A 15 -4.613 -7.110 3.046 1.00 0.00 O ATOM 167 CB LEU A 15 -3.508 -4.633 1.851 1.00 0.00 C ATOM 168 CG LEU A 15 -2.223 -5.340 1.418 1.00 0.00 C ATOM 169 CD1 LEU A 15 -2.032 -5.250 -0.097 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.014 -4.796 2.181 1.00 0.00 C ATOM 0 H LEU A 15 -5.828 -4.251 2.951 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.844 -5.311 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.507 -3.629 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.490 -4.521 2.935 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.313 -6.397 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.111 -5.761 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.877 -5.722 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.972 -4.203 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.113 -5.316 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.909 -3.729 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.157 -4.955 3.250 1.00 0.00 H new ATOM 182 N THR A 16 -5.285 -7.630 0.951 1.00 0.00 N ATOM 183 CA THR A 16 -5.406 -9.052 1.222 1.00 0.00 C ATOM 184 C THR A 16 -4.604 -9.860 0.200 1.00 0.00 C ATOM 185 O THR A 16 -4.063 -9.301 -0.752 1.00 0.00 O ATOM 186 CB THR A 16 -6.895 -9.405 1.243 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.528 -8.211 1.693 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.237 -10.437 2.319 1.00 0.00 C ATOM 0 H THR A 16 -5.520 -7.357 -0.003 1.00 0.00 H new ATOM 0 HA THR A 16 -4.984 -9.306 2.194 1.00 0.00 H new ATOM 0 HB THR A 16 -7.191 -9.788 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.497 -8.350 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.305 -10.652 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.677 -11.354 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.972 -10.042 3.300 1.00 0.00 H new ATOM 196 N VAL A 17 -4.552 -11.163 0.433 1.00 0.00 N ATOM 197 CA VAL A 17 -3.825 -12.054 -0.455 1.00 0.00 C ATOM 198 C VAL A 17 -4.811 -12.735 -1.407 1.00 0.00 C ATOM 199 O VAL A 17 -5.572 -13.610 -0.997 1.00 0.00 O ATOM 200 CB VAL A 17 -3.000 -13.050 0.362 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.523 -14.213 -0.510 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.819 -12.354 1.043 1.00 0.00 C ATOM 0 H VAL A 17 -5.002 -11.623 1.224 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.119 -11.491 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.643 -13.459 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.939 -14.906 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.386 -14.733 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.904 -13.830 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.249 -13.084 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.176 -11.905 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.191 -11.577 1.711 1.00 0.00 H new ATOM 212 N GLU A 18 -4.767 -12.306 -2.660 1.00 0.00 N ATOM 213 CA GLU A 18 -5.646 -12.863 -3.673 1.00 0.00 C ATOM 214 C GLU A 18 -5.237 -14.301 -4.000 1.00 0.00 C ATOM 215 O GLU A 18 -6.045 -15.221 -3.890 1.00 0.00 O ATOM 216 CB GLU A 18 -5.652 -11.995 -4.933 1.00 0.00 C ATOM 217 CG GLU A 18 -6.182 -10.592 -4.629 1.00 0.00 C ATOM 218 CD GLU A 18 -7.514 -10.660 -3.878 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.525 -10.970 -4.544 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.490 -10.401 -2.656 1.00 0.00 O ATOM 0 H GLU A 18 -4.136 -11.579 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.661 -12.876 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.642 -11.927 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.270 -12.463 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.452 -10.045 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.313 -10.039 -5.559 1.00 0.00 H new ATOM 227 N ASP A 19 -3.981 -14.448 -4.396 1.00 0.00 N ATOM 228 CA ASP A 19 -3.454 -15.758 -4.740 1.00 0.00 C ATOM 229 C ASP A 19 -2.040 -15.899 -4.174 1.00 0.00 C ATOM 230 O ASP A 19 -1.484 -14.942 -3.636 1.00 0.00 O ATOM 231 CB ASP A 19 -3.376 -15.939 -6.258 1.00 0.00 C ATOM 232 CG ASP A 19 -3.944 -17.260 -6.781 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.890 -17.765 -6.139 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.420 -17.734 -7.812 1.00 0.00 O ATOM 0 H ASP A 19 -3.313 -13.682 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.122 -16.511 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.910 -15.117 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.333 -15.862 -6.565 1.00 0.00 H new ATOM 239 N VAL A 20 -1.497 -17.100 -4.314 1.00 0.00 N ATOM 240 CA VAL A 20 -0.158 -17.378 -3.822 1.00 0.00 C ATOM 241 C VAL A 20 0.463 -18.500 -4.656 1.00 0.00 C ATOM 242 O VAL A 20 -0.171 -19.528 -4.891 1.00 0.00 O ATOM 243 CB VAL A 20 -0.206 -17.700 -2.328 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.992 -18.557 -1.913 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.279 -16.420 -1.493 1.00 0.00 C ATOM 0 H VAL A 20 -1.960 -17.891 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 20 0.479 -16.500 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.112 -18.276 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.934 -18.772 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.981 -19.492 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.916 -18.018 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.312 -16.678 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.600 -15.807 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.177 -15.863 -1.759 1.00 0.00 H new ATOM 255 N THR A 21 1.696 -18.265 -5.081 1.00 0.00 N ATOM 256 CA THR A 21 2.410 -19.243 -5.884 1.00 0.00 C ATOM 257 C THR A 21 3.476 -19.948 -5.042 1.00 0.00 C ATOM 258 O THR A 21 3.431 -19.904 -3.814 1.00 0.00 O ATOM 259 CB THR A 21 2.980 -18.524 -7.108 1.00 0.00 C ATOM 260 OG1 THR A 21 2.399 -17.224 -7.050 1.00 0.00 O ATOM 261 CG2 THR A 21 2.460 -19.106 -8.424 1.00 0.00 C ATOM 0 H THR A 21 2.219 -17.411 -4.884 1.00 0.00 H new ATOM 0 HA THR A 21 1.743 -20.031 -6.233 1.00 0.00 H new ATOM 0 HB THR A 21 4.068 -18.584 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.949 -16.596 -7.563 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.895 -18.560 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.739 -20.157 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.374 -19.016 -8.458 1.00 0.00 H new ATOM 269 N ASP A 22 4.409 -20.582 -5.737 1.00 0.00 N ATOM 270 CA ASP A 22 5.484 -21.295 -5.069 1.00 0.00 C ATOM 271 C ASP A 22 6.648 -20.335 -4.816 1.00 0.00 C ATOM 272 O ASP A 22 7.310 -20.415 -3.783 1.00 0.00 O ATOM 273 CB ASP A 22 6.001 -22.448 -5.933 1.00 0.00 C ATOM 274 CG ASP A 22 4.916 -23.268 -6.632 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.413 -22.780 -7.667 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.613 -24.366 -6.116 1.00 0.00 O ATOM 0 H ASP A 22 4.443 -20.617 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 22 5.093 -21.693 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.673 -22.042 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.592 -23.115 -5.306 1.00 0.00 H new ATOM 281 N THR A 23 6.861 -19.449 -5.778 1.00 0.00 N ATOM 282 CA THR A 23 7.934 -18.474 -5.673 1.00 0.00 C ATOM 283 C THR A 23 7.393 -17.060 -5.894 1.00 0.00 C ATOM 284 O THR A 23 8.160 -16.101 -5.954 1.00 0.00 O ATOM 285 CB THR A 23 9.029 -18.868 -6.665 1.00 0.00 C ATOM 286 OG1 THR A 23 8.327 -19.101 -7.883 1.00 0.00 O ATOM 287 CG2 THR A 23 9.661 -20.221 -6.334 1.00 0.00 C ATOM 0 H THR A 23 6.309 -19.386 -6.634 1.00 0.00 H new ATOM 0 HA THR A 23 8.368 -18.469 -4.673 1.00 0.00 H new ATOM 0 HB THR A 23 9.802 -18.100 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.963 -19.360 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.432 -20.452 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.108 -20.181 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.895 -20.996 -6.356 1.00 0.00 H new ATOM 295 N THR A 24 6.076 -16.976 -6.009 1.00 0.00 N ATOM 296 CA THR A 24 5.423 -15.696 -6.222 1.00 0.00 C ATOM 297 C THR A 24 4.101 -15.636 -5.453 1.00 0.00 C ATOM 298 O THR A 24 3.603 -16.660 -4.987 1.00 0.00 O ATOM 299 CB THR A 24 5.259 -15.494 -7.730 1.00 0.00 C ATOM 300 OG1 THR A 24 4.886 -16.781 -8.214 1.00 0.00 O ATOM 301 CG2 THR A 24 6.588 -15.203 -8.430 1.00 0.00 C ATOM 0 H THR A 24 5.443 -17.774 -5.959 1.00 0.00 H new ATOM 0 HA THR A 24 6.026 -14.875 -5.833 1.00 0.00 H new ATOM 0 HB THR A 24 4.566 -14.673 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.757 -16.741 -9.185 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.415 -15.068 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.026 -14.295 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.271 -16.038 -8.276 1.00 0.00 H new ATOM 309 N THR A 25 3.571 -14.427 -5.345 1.00 0.00 N ATOM 310 CA THR A 25 2.317 -14.221 -4.641 1.00 0.00 C ATOM 311 C THR A 25 1.606 -12.974 -5.172 1.00 0.00 C ATOM 312 O THR A 25 2.253 -11.988 -5.522 1.00 0.00 O ATOM 313 CB THR A 25 2.621 -14.155 -3.143 1.00 0.00 C ATOM 314 OG1 THR A 25 2.587 -15.516 -2.721 1.00 0.00 O ATOM 315 CG2 THR A 25 1.497 -13.489 -2.346 1.00 0.00 C ATOM 0 H THR A 25 3.987 -13.580 -5.733 1.00 0.00 H new ATOM 0 HA THR A 25 1.627 -15.048 -4.811 1.00 0.00 H new ATOM 0 HB THR A 25 3.551 -13.608 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.972 -16.085 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.763 -13.468 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.352 -12.470 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.574 -14.054 -2.476 1.00 0.00 H new ATOM 323 N THR A 26 0.285 -13.059 -5.214 1.00 0.00 N ATOM 324 CA THR A 26 -0.521 -11.950 -5.697 1.00 0.00 C ATOM 325 C THR A 26 -1.087 -11.151 -4.521 1.00 0.00 C ATOM 326 O THR A 26 -1.338 -11.705 -3.452 1.00 0.00 O ATOM 327 CB THR A 26 -1.600 -12.517 -6.622 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.865 -13.137 -7.673 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.404 -11.421 -7.325 1.00 0.00 C ATOM 0 H THR A 26 -0.248 -13.878 -4.922 1.00 0.00 H new ATOM 0 HA THR A 26 0.080 -11.244 -6.270 1.00 0.00 H new ATOM 0 HB THR A 26 -2.276 -13.150 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.487 -13.533 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.156 -11.877 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.896 -10.796 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.734 -10.808 -7.928 1.00 0.00 H new ATOM 337 N LEU A 27 -1.271 -9.860 -4.759 1.00 0.00 N ATOM 338 CA LEU A 27 -1.803 -8.979 -3.733 1.00 0.00 C ATOM 339 C LEU A 27 -2.810 -8.017 -4.365 1.00 0.00 C ATOM 340 O LEU A 27 -2.781 -7.787 -5.573 1.00 0.00 O ATOM 341 CB LEU A 27 -0.666 -8.277 -2.987 1.00 0.00 C ATOM 342 CG LEU A 27 0.337 -9.191 -2.280 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.650 -8.455 -2.005 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.266 -9.784 -1.004 1.00 0.00 C ATOM 0 H LEU A 27 -1.061 -9.404 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.341 -9.554 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.122 -7.654 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.103 -7.608 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 27 0.568 -10.024 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.345 -9.127 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.085 -8.122 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.457 -7.591 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.467 -10.430 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.544 -8.978 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.152 -10.367 -1.257 1.00 0.00 H new ATOM 356 N LYS A 28 -3.678 -7.480 -3.520 1.00 0.00 N ATOM 357 CA LYS A 28 -4.692 -6.547 -3.981 1.00 0.00 C ATOM 358 C LYS A 28 -5.081 -5.614 -2.832 1.00 0.00 C ATOM 359 O LYS A 28 -5.450 -6.074 -1.753 1.00 0.00 O ATOM 360 CB LYS A 28 -5.876 -7.301 -4.589 1.00 0.00 C ATOM 361 CG LYS A 28 -6.500 -6.507 -5.739 1.00 0.00 C ATOM 362 CD LYS A 28 -7.735 -7.221 -6.291 1.00 0.00 C ATOM 363 CE LYS A 28 -8.901 -6.245 -6.464 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.713 -6.610 -7.646 1.00 0.00 N ATOM 0 H LYS A 28 -3.700 -7.673 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.298 -5.920 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.544 -8.274 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.627 -7.486 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.776 -5.512 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.766 -6.374 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.496 -7.681 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.027 -8.025 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.525 -6.253 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.520 -5.230 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.500 -5.937 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.118 -6.579 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.093 -7.570 -7.523 1.00 0.00 H new ATOM 378 N TRP A 29 -4.986 -4.321 -3.104 1.00 0.00 N ATOM 379 CA TRP A 29 -5.323 -3.320 -2.106 1.00 0.00 C ATOM 380 C TRP A 29 -6.212 -2.268 -2.774 1.00 0.00 C ATOM 381 O TRP A 29 -6.492 -2.355 -3.968 1.00 0.00 O ATOM 382 CB TRP A 29 -4.062 -2.725 -1.478 1.00 0.00 C ATOM 383 CG TRP A 29 -3.232 -1.870 -2.438 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.495 -0.632 -2.878 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.985 -2.244 -3.063 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.513 -0.182 -3.737 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.566 -1.193 -3.853 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.237 -3.430 -2.963 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.385 -1.222 -4.604 1.00 0.00 C ATOM 390 CZ3 TRP A 29 -0.059 -3.444 -3.720 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.377 -2.394 -4.521 1.00 0.00 C ATOM 0 H TRP A 29 -4.681 -3.943 -4.001 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.875 -3.769 -1.280 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.348 -2.116 -0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.440 -3.536 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.366 -0.059 -2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.487 0.726 -4.201 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.546 -4.264 -2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.078 -0.386 -5.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.554 -4.332 -3.679 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.299 -2.482 -5.076 1.00 0.00 H new ATOM 402 N ARG A 30 -6.630 -1.299 -1.973 1.00 0.00 N ATOM 403 CA ARG A 30 -7.481 -0.232 -2.472 1.00 0.00 C ATOM 404 C ARG A 30 -6.764 1.115 -2.358 1.00 0.00 C ATOM 405 O ARG A 30 -5.880 1.283 -1.519 1.00 0.00 O ATOM 406 CB ARG A 30 -8.797 -0.168 -1.695 1.00 0.00 C ATOM 407 CG ARG A 30 -9.736 -1.301 -2.114 1.00 0.00 C ATOM 408 CD ARG A 30 -11.194 -0.838 -2.102 1.00 0.00 C ATOM 409 NE ARG A 30 -11.970 -1.581 -3.119 1.00 0.00 N ATOM 410 CZ ARG A 30 -11.905 -1.343 -4.436 1.00 0.00 C ATOM 411 NH1 ARG A 30 -11.099 -0.379 -4.904 1.00 0.00 N ATOM 412 NH2 ARG A 30 -12.646 -2.067 -5.286 1.00 0.00 N ATOM 0 H ARG A 30 -6.396 -1.230 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.700 -0.444 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.596 -0.234 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.280 0.793 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.469 -1.649 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.614 -2.148 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.627 -0.998 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.246 0.232 -2.303 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.594 -2.321 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.535 0.173 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.049 -0.198 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.260 -2.800 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.596 -1.885 -6.288 1.00 0.00 H new ATOM 426 N PRO A 31 -7.183 2.066 -3.236 1.00 0.00 N ATOM 427 CA PRO A 31 -6.591 3.393 -3.242 1.00 0.00 C ATOM 428 C PRO A 31 -7.089 4.220 -2.055 1.00 0.00 C ATOM 429 O PRO A 31 -8.186 3.989 -1.550 1.00 0.00 O ATOM 430 CB PRO A 31 -6.977 3.989 -4.586 1.00 0.00 C ATOM 431 CG PRO A 31 -8.151 3.164 -5.087 1.00 0.00 C ATOM 432 CD PRO A 31 -8.228 1.902 -4.243 1.00 0.00 C ATOM 0 HA PRO A 31 -5.507 3.372 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.253 5.038 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.143 3.946 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.078 3.732 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.019 2.912 -6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.209 1.793 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.060 1.011 -4.847 1.00 0.00 H new ATOM 440 N PRO A 32 -6.237 5.193 -1.635 1.00 0.00 N ATOM 441 CA PRO A 32 -6.579 6.056 -0.518 1.00 0.00 C ATOM 442 C PRO A 32 -7.620 7.099 -0.929 1.00 0.00 C ATOM 443 O PRO A 32 -8.001 7.174 -2.096 1.00 0.00 O ATOM 444 CB PRO A 32 -5.261 6.674 -0.079 1.00 0.00 C ATOM 445 CG PRO A 32 -4.308 6.498 -1.251 1.00 0.00 C ATOM 446 CD PRO A 32 -4.929 5.495 -2.210 1.00 0.00 C ATOM 0 HA PRO A 32 -7.043 5.513 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.387 7.728 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.877 6.181 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.139 7.451 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.337 6.144 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.024 5.912 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.317 4.597 -2.295 1.00 0.00 H new ATOM 454 N ASP A 33 -8.050 7.878 0.052 1.00 0.00 N ATOM 455 CA ASP A 33 -9.040 8.913 -0.193 1.00 0.00 C ATOM 456 C ASP A 33 -8.360 10.283 -0.151 1.00 0.00 C ATOM 457 O ASP A 33 -8.755 11.199 -0.871 1.00 0.00 O ATOM 458 CB ASP A 33 -10.133 8.895 0.877 1.00 0.00 C ATOM 459 CG ASP A 33 -9.635 8.674 2.307 1.00 0.00 C ATOM 460 OD1 ASP A 33 -9.483 7.490 2.678 1.00 0.00 O ATOM 461 OD2 ASP A 33 -9.418 9.694 2.996 1.00 0.00 O ATOM 0 H ASP A 33 -7.731 7.813 1.019 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.488 8.726 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.673 9.841 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.848 8.109 0.632 1.00 0.00 H new ATOM 466 N ARG A 34 -7.348 10.380 0.699 1.00 0.00 N ATOM 467 CA ARG A 34 -6.610 11.623 0.845 1.00 0.00 C ATOM 468 C ARG A 34 -5.323 11.576 0.017 1.00 0.00 C ATOM 469 O ARG A 34 -4.265 11.213 0.529 1.00 0.00 O ATOM 470 CB ARG A 34 -6.256 11.885 2.310 1.00 0.00 C ATOM 471 CG ARG A 34 -7.468 12.412 3.081 1.00 0.00 C ATOM 472 CD ARG A 34 -7.032 13.180 4.330 1.00 0.00 C ATOM 473 NE ARG A 34 -8.220 13.588 5.114 1.00 0.00 N ATOM 474 CZ ARG A 34 -8.914 12.763 5.910 1.00 0.00 C ATOM 475 NH1 ARG A 34 -8.544 11.481 6.033 1.00 0.00 N ATOM 476 NH2 ARG A 34 -9.978 13.220 6.583 1.00 0.00 N ATOM 0 H ARG A 34 -7.022 9.618 1.294 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.248 12.431 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.899 10.965 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.442 12.607 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.058 13.064 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.111 11.580 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.379 12.556 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.456 14.060 4.043 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.529 14.557 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.734 11.133 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.073 10.854 6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.260 14.196 6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.506 12.592 7.189 1.00 0.00 H new ATOM 490 N ILE A 35 -5.457 11.948 -1.247 1.00 0.00 N ATOM 491 CA ILE A 35 -4.318 11.953 -2.150 1.00 0.00 C ATOM 492 C ILE A 35 -3.897 13.398 -2.425 1.00 0.00 C ATOM 493 O ILE A 35 -2.814 13.819 -2.023 1.00 0.00 O ATOM 494 CB ILE A 35 -4.635 11.153 -3.415 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.046 9.720 -3.070 1.00 0.00 C ATOM 496 CG2 ILE A 35 -3.461 11.192 -4.396 1.00 0.00 C ATOM 497 CD1 ILE A 35 -4.823 8.784 -4.259 1.00 0.00 C ATOM 0 H ILE A 35 -6.336 12.248 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.465 11.454 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.486 11.621 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.470 9.369 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.096 9.699 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.712 10.616 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.256 12.225 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.577 10.763 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.123 7.772 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.419 9.124 -5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.768 8.788 -4.533 1.00 0.00 H new ATOM 509 N GLY A 36 -4.775 14.116 -3.108 1.00 0.00 N ATOM 510 CA GLY A 36 -4.508 15.505 -3.442 1.00 0.00 C ATOM 511 C GLY A 36 -4.390 15.693 -4.956 1.00 0.00 C ATOM 512 O GLY A 36 -3.305 15.965 -5.468 1.00 0.00 O ATOM 0 H GLY A 36 -5.672 13.762 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.308 16.136 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.586 15.828 -2.959 1.00 0.00 H new ATOM 516 N ALA A 37 -5.521 15.539 -5.629 1.00 0.00 N ATOM 517 CA ALA A 37 -5.557 15.688 -7.074 1.00 0.00 C ATOM 518 C ALA A 37 -4.865 14.488 -7.724 1.00 0.00 C ATOM 519 O ALA A 37 -3.974 14.656 -8.555 1.00 0.00 O ATOM 520 CB ALA A 37 -4.911 17.017 -7.467 1.00 0.00 C ATOM 0 H ALA A 37 -6.419 15.313 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.586 15.708 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.938 17.128 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.458 17.838 -7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.876 17.033 -7.127 1.00 0.00 H new ATOM 526 N GLY A 38 -5.301 13.304 -7.320 1.00 0.00 N ATOM 527 CA GLY A 38 -4.734 12.076 -7.853 1.00 0.00 C ATOM 528 C GLY A 38 -3.205 12.118 -7.818 1.00 0.00 C ATOM 529 O GLY A 38 -2.545 11.527 -8.671 1.00 0.00 O ATOM 0 H GLY A 38 -6.040 13.168 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.091 11.225 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.074 11.929 -8.878 1.00 0.00 H new ATOM 533 N GLY A 39 -2.687 12.822 -6.822 1.00 0.00 N ATOM 534 CA GLY A 39 -1.248 12.948 -6.664 1.00 0.00 C ATOM 535 C GLY A 39 -0.668 11.733 -5.938 1.00 0.00 C ATOM 536 O GLY A 39 -0.914 11.540 -4.748 1.00 0.00 O ATOM 0 H GLY A 39 -3.238 13.311 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.779 13.050 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.018 13.855 -6.104 1.00 0.00 H new ATOM 540 N ILE A 40 0.092 10.945 -6.685 1.00 0.00 N ATOM 541 CA ILE A 40 0.710 9.754 -6.127 1.00 0.00 C ATOM 542 C ILE A 40 1.633 9.127 -7.173 1.00 0.00 C ATOM 543 O ILE A 40 1.312 9.112 -8.361 1.00 0.00 O ATOM 544 CB ILE A 40 -0.357 8.796 -5.595 1.00 0.00 C ATOM 545 CG1 ILE A 40 0.280 7.640 -4.822 1.00 0.00 C ATOM 546 CG2 ILE A 40 -1.262 8.300 -6.725 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.732 6.988 -3.877 1.00 0.00 C ATOM 0 H ILE A 40 0.294 11.108 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 40 1.329 10.012 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.988 9.343 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.661 6.896 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.133 8.006 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.012 7.621 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.758 9.150 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.662 7.776 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.253 6.169 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.093 7.729 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.572 6.601 -4.454 1.00 0.00 H new ATOM 559 N ASP A 41 2.762 8.623 -6.695 1.00 0.00 N ATOM 560 CA ASP A 41 3.734 7.996 -7.574 1.00 0.00 C ATOM 561 C ASP A 41 3.419 6.503 -7.692 1.00 0.00 C ATOM 562 O ASP A 41 3.661 5.895 -8.733 1.00 0.00 O ATOM 563 CB ASP A 41 5.152 8.138 -7.017 1.00 0.00 C ATOM 564 CG ASP A 41 6.154 8.803 -7.963 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.689 9.369 -8.976 1.00 0.00 O ATOM 566 OD2 ASP A 41 7.362 8.732 -7.651 1.00 0.00 O ATOM 0 H ASP A 41 3.025 8.636 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 41 3.678 8.487 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.108 8.716 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.524 7.148 -6.755 1.00 0.00 H new ATOM 571 N GLY A 42 2.884 5.956 -6.610 1.00 0.00 N ATOM 572 CA GLY A 42 2.534 4.546 -6.579 1.00 0.00 C ATOM 573 C GLY A 42 2.637 3.987 -5.158 1.00 0.00 C ATOM 574 O GLY A 42 2.324 4.679 -4.191 1.00 0.00 O ATOM 0 H GLY A 42 2.684 6.464 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.520 4.411 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.196 3.989 -7.242 1.00 0.00 H new ATOM 578 N TYR A 43 3.075 2.739 -5.078 1.00 0.00 N ATOM 579 CA TYR A 43 3.222 2.079 -3.792 1.00 0.00 C ATOM 580 C TYR A 43 4.491 1.225 -3.756 1.00 0.00 C ATOM 581 O TYR A 43 4.946 0.739 -4.791 1.00 0.00 O ATOM 582 CB TYR A 43 2.003 1.166 -3.645 1.00 0.00 C ATOM 583 CG TYR A 43 0.663 1.902 -3.707 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.155 2.506 -2.575 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.037 1.961 -4.894 1.00 0.00 C ATOM 586 CE1 TYR A 43 -1.106 3.199 -2.632 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.299 2.654 -4.952 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.771 3.238 -3.818 1.00 0.00 C ATOM 589 OH TYR A 43 -2.962 3.893 -3.873 1.00 0.00 O ATOM 0 H TYR A 43 3.333 2.168 -5.883 1.00 0.00 H new ATOM 0 HA TYR A 43 3.294 2.813 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.029 0.413 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.071 0.636 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.703 2.459 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.361 1.488 -5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.514 3.677 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.857 2.708 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.323 3.840 -4.783 1.00 0.00 H new ATOM 599 N LEU A 44 5.027 1.069 -2.555 1.00 0.00 N ATOM 600 CA LEU A 44 6.235 0.283 -2.370 1.00 0.00 C ATOM 601 C LEU A 44 5.900 -0.980 -1.574 1.00 0.00 C ATOM 602 O LEU A 44 5.650 -0.912 -0.371 1.00 0.00 O ATOM 603 CB LEU A 44 7.337 1.134 -1.738 1.00 0.00 C ATOM 604 CG LEU A 44 8.198 1.946 -2.708 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.169 2.854 -1.951 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.922 1.031 -3.697 1.00 0.00 C ATOM 0 H LEU A 44 4.647 1.474 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 44 6.629 -0.042 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.876 1.822 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.992 0.478 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 44 7.540 2.592 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.769 3.420 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.607 3.544 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.824 2.246 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.527 1.634 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.567 0.342 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.189 0.464 -4.271 1.00 0.00 H new ATOM 618 N VAL A 45 5.904 -2.103 -2.277 1.00 0.00 N ATOM 619 CA VAL A 45 5.604 -3.379 -1.651 1.00 0.00 C ATOM 620 C VAL A 45 6.896 -3.994 -1.109 1.00 0.00 C ATOM 621 O VAL A 45 7.815 -4.287 -1.872 1.00 0.00 O ATOM 622 CB VAL A 45 4.878 -4.291 -2.642 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.328 -5.535 -1.941 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.765 -3.534 -3.369 1.00 0.00 C ATOM 0 H VAL A 45 6.110 -2.155 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 45 4.931 -3.239 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 45 5.602 -4.620 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.817 -6.166 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.150 -6.092 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.625 -5.234 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.265 -4.205 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.043 -3.163 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.193 -2.694 -3.916 1.00 0.00 H new ATOM 634 N GLU A 46 6.925 -4.171 0.204 1.00 0.00 N ATOM 635 CA GLU A 46 8.090 -4.745 0.856 1.00 0.00 C ATOM 636 C GLU A 46 7.678 -5.936 1.724 1.00 0.00 C ATOM 637 O GLU A 46 6.610 -5.924 2.333 1.00 0.00 O ATOM 638 CB GLU A 46 8.829 -3.692 1.684 1.00 0.00 C ATOM 639 CG GLU A 46 9.238 -2.500 0.816 1.00 0.00 C ATOM 640 CD GLU A 46 10.587 -1.934 1.263 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.402 -2.737 1.766 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.773 -0.709 1.092 1.00 0.00 O ATOM 0 H GLU A 46 6.161 -3.927 0.834 1.00 0.00 H new ATOM 0 HA GLU A 46 8.775 -5.101 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.190 -3.351 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.715 -4.137 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.297 -2.809 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.476 -1.723 0.876 1.00 0.00 H new ATOM 649 N TYR A 47 8.548 -6.935 1.753 1.00 0.00 N ATOM 650 CA TYR A 47 8.289 -8.130 2.537 1.00 0.00 C ATOM 651 C TYR A 47 9.431 -8.401 3.518 1.00 0.00 C ATOM 652 O TYR A 47 10.592 -8.131 3.215 1.00 0.00 O ATOM 653 CB TYR A 47 8.211 -9.283 1.533 1.00 0.00 C ATOM 654 CG TYR A 47 9.487 -9.482 0.714 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.783 -8.620 -0.323 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.343 -10.523 1.011 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.984 -8.808 -1.095 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.544 -10.710 0.239 1.00 0.00 C ATOM 659 CZ TYR A 47 11.806 -9.843 -0.775 1.00 0.00 C ATOM 660 OH TYR A 47 12.940 -10.020 -1.504 1.00 0.00 O ATOM 0 H TYR A 47 9.433 -6.941 1.246 1.00 0.00 H new ATOM 0 HA TYR A 47 7.373 -8.017 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.989 -10.205 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.379 -9.103 0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.114 -7.805 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.112 -11.197 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.226 -8.142 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.222 -11.521 0.461 1.00 0.00 H new ATOM 0 HH TYR A 47 13.431 -10.797 -1.163 1.00 0.00 H new ATOM 670 N CYS A 48 9.061 -8.931 4.675 1.00 0.00 N ATOM 671 CA CYS A 48 10.040 -9.241 5.703 1.00 0.00 C ATOM 672 C CYS A 48 9.919 -10.726 6.049 1.00 0.00 C ATOM 673 O CYS A 48 8.876 -11.174 6.523 1.00 0.00 O ATOM 674 CB CYS A 48 9.866 -8.352 6.936 1.00 0.00 C ATOM 675 SG CYS A 48 11.141 -8.757 8.185 1.00 0.00 S ATOM 0 H CYS A 48 8.097 -9.153 4.923 1.00 0.00 H new ATOM 0 HA CYS A 48 11.043 -9.037 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.944 -7.303 6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.872 -8.494 7.360 1.00 0.00 H new ATOM 0 HG CYS A 48 10.643 -9.577 9.063 1.00 0.00 H new ATOM 681 N LEU A 49 11.001 -11.449 5.799 1.00 0.00 N ATOM 682 CA LEU A 49 11.029 -12.875 6.078 1.00 0.00 C ATOM 683 C LEU A 49 10.918 -13.097 7.588 1.00 0.00 C ATOM 684 O LEU A 49 11.567 -12.404 8.370 1.00 0.00 O ATOM 685 CB LEU A 49 12.268 -13.519 5.451 1.00 0.00 C ATOM 686 CG LEU A 49 12.294 -13.574 3.922 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.646 -13.108 3.380 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.924 -14.970 3.418 1.00 0.00 C ATOM 0 H LEU A 49 11.865 -11.074 5.406 1.00 0.00 H new ATOM 0 HA LEU A 49 10.173 -13.370 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.148 -12.973 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.357 -14.536 5.833 1.00 0.00 H new ATOM 0 HG LEU A 49 11.540 -12.884 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.638 -13.157 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.830 -12.081 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.435 -13.753 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.950 -14.982 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.637 -15.698 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.921 -15.226 3.760 1.00 0.00 H new ATOM 700 N GLU A 50 10.091 -14.065 7.952 1.00 0.00 N ATOM 701 CA GLU A 50 9.886 -14.387 9.354 1.00 0.00 C ATOM 702 C GLU A 50 11.232 -14.523 10.069 1.00 0.00 C ATOM 703 O GLU A 50 12.116 -15.240 9.604 1.00 0.00 O ATOM 704 CB GLU A 50 9.052 -15.661 9.508 1.00 0.00 C ATOM 705 CG GLU A 50 7.844 -15.419 10.415 1.00 0.00 C ATOM 706 CD GLU A 50 8.212 -15.624 11.885 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.401 -16.800 12.264 1.00 0.00 O ATOM 708 OE2 GLU A 50 8.295 -14.601 12.598 1.00 0.00 O ATOM 0 H GLU A 50 9.554 -14.637 7.300 1.00 0.00 H new ATOM 0 HA GLU A 50 9.331 -13.571 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.714 -15.999 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.670 -16.457 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.472 -14.405 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.037 -16.098 10.140 1.00 0.00 H new ATOM 715 N GLY A 51 11.344 -13.824 11.189 1.00 0.00 N ATOM 716 CA GLY A 51 12.567 -13.858 11.973 1.00 0.00 C ATOM 717 C GLY A 51 13.463 -12.662 11.642 1.00 0.00 C ATOM 718 O GLY A 51 14.205 -12.183 12.499 1.00 0.00 O ATOM 0 H GLY A 51 10.608 -13.231 11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.323 -13.851 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.104 -14.785 11.775 1.00 0.00 H new ATOM 722 N SER A 52 13.365 -12.216 10.399 1.00 0.00 N ATOM 723 CA SER A 52 14.157 -11.085 9.945 1.00 0.00 C ATOM 724 C SER A 52 13.500 -9.775 10.385 1.00 0.00 C ATOM 725 O SER A 52 12.284 -9.714 10.556 1.00 0.00 O ATOM 726 CB SER A 52 14.330 -11.108 8.425 1.00 0.00 C ATOM 727 OG SER A 52 14.988 -9.940 7.945 1.00 0.00 O ATOM 0 H SER A 52 12.749 -12.617 9.692 1.00 0.00 H new ATOM 0 HA SER A 52 15.146 -11.157 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.903 -11.990 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.353 -11.194 7.950 1.00 0.00 H new ATOM 0 HG SER A 52 15.081 -9.994 6.971 1.00 0.00 H new ATOM 733 N GLU A 53 14.335 -8.760 10.556 1.00 0.00 N ATOM 734 CA GLU A 53 13.850 -7.455 10.972 1.00 0.00 C ATOM 735 C GLU A 53 14.086 -6.424 9.867 1.00 0.00 C ATOM 736 O GLU A 53 13.990 -5.221 10.105 1.00 0.00 O ATOM 737 CB GLU A 53 14.510 -7.018 12.281 1.00 0.00 C ATOM 738 CG GLU A 53 13.625 -7.358 13.482 1.00 0.00 C ATOM 739 CD GLU A 53 14.402 -7.219 14.793 1.00 0.00 C ATOM 740 OE1 GLU A 53 14.653 -6.059 15.183 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.728 -8.277 15.374 1.00 0.00 O ATOM 0 H GLU A 53 15.344 -8.815 10.414 1.00 0.00 H new ATOM 0 HA GLU A 53 12.777 -7.527 11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.477 -7.510 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.699 -5.945 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.758 -6.698 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.249 -8.376 13.384 1.00 0.00 H new ATOM 748 N GLU A 54 14.391 -6.932 8.682 1.00 0.00 N ATOM 749 CA GLU A 54 14.642 -6.070 7.540 1.00 0.00 C ATOM 750 C GLU A 54 13.604 -6.324 6.445 1.00 0.00 C ATOM 751 O GLU A 54 13.493 -7.439 5.937 1.00 0.00 O ATOM 752 CB GLU A 54 16.062 -6.267 7.006 1.00 0.00 C ATOM 753 CG GLU A 54 16.277 -5.476 5.714 1.00 0.00 C ATOM 754 CD GLU A 54 17.570 -4.660 5.778 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.759 -3.978 6.808 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.339 -4.738 4.797 1.00 0.00 O ATOM 0 H GLU A 54 14.470 -7.930 8.488 1.00 0.00 H new ATOM 0 HA GLU A 54 14.552 -5.034 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.784 -5.947 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.241 -7.326 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.317 -6.161 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.431 -4.810 5.546 1.00 0.00 H new ATOM 763 N TRP A 55 12.871 -5.272 6.114 1.00 0.00 N ATOM 764 CA TRP A 55 11.846 -5.367 5.088 1.00 0.00 C ATOM 765 C TRP A 55 12.518 -5.170 3.728 1.00 0.00 C ATOM 766 O TRP A 55 13.063 -4.103 3.450 1.00 0.00 O ATOM 767 CB TRP A 55 10.717 -4.368 5.347 1.00 0.00 C ATOM 768 CG TRP A 55 9.794 -4.757 6.504 1.00 0.00 C ATOM 769 CD1 TRP A 55 9.999 -4.583 7.817 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.505 -5.397 6.398 1.00 0.00 C ATOM 771 NE1 TRP A 55 8.940 -5.062 8.562 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.003 -5.572 7.671 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.787 -5.813 5.263 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.763 -6.168 7.931 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.549 -6.406 5.540 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.030 -6.591 6.816 1.00 0.00 C ATOM 0 H TRP A 55 12.966 -4.349 6.538 1.00 0.00 H new ATOM 0 HA TRP A 55 11.375 -6.350 5.104 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.152 -3.390 5.556 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.122 -4.265 4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.882 -4.126 8.239 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.860 -5.045 9.579 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.160 -5.685 4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.392 -6.295 8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.956 -6.743 4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.065 -7.059 6.947 1.00 0.00 H new ATOM 787 N VAL A 56 12.457 -6.216 2.917 1.00 0.00 N ATOM 788 CA VAL A 56 13.053 -6.171 1.592 1.00 0.00 C ATOM 789 C VAL A 56 12.042 -5.592 0.602 1.00 0.00 C ATOM 790 O VAL A 56 10.848 -5.878 0.689 1.00 0.00 O ATOM 791 CB VAL A 56 13.550 -7.563 1.195 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.185 -7.542 -0.197 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.527 -8.114 2.235 1.00 0.00 C ATOM 0 H VAL A 56 12.004 -7.099 3.151 1.00 0.00 H new ATOM 0 HA VAL A 56 13.924 -5.516 1.587 1.00 0.00 H new ATOM 0 HB VAL A 56 12.688 -8.229 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.530 -8.543 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.447 -7.213 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.031 -6.855 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.865 -9.104 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.385 -7.447 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.028 -8.184 3.202 1.00 0.00 H new ATOM 803 N PRO A 57 12.569 -4.767 -0.342 1.00 0.00 N ATOM 804 CA PRO A 57 11.725 -4.145 -1.348 1.00 0.00 C ATOM 805 C PRO A 57 11.309 -5.158 -2.417 1.00 0.00 C ATOM 806 O PRO A 57 12.145 -5.640 -3.180 1.00 0.00 O ATOM 807 CB PRO A 57 12.556 -3.001 -1.906 1.00 0.00 C ATOM 808 CG PRO A 57 13.996 -3.308 -1.527 1.00 0.00 C ATOM 809 CD PRO A 57 13.977 -4.405 -0.476 1.00 0.00 C ATOM 0 HA PRO A 57 10.785 -3.774 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.444 -2.928 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.237 -2.046 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.561 -3.628 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.487 -2.416 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.578 -5.260 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.387 -4.053 0.471 1.00 0.00 H new ATOM 817 N ALA A 58 10.017 -5.450 -2.438 1.00 0.00 N ATOM 818 CA ALA A 58 9.480 -6.397 -3.400 1.00 0.00 C ATOM 819 C ALA A 58 9.658 -5.838 -4.813 1.00 0.00 C ATOM 820 O ALA A 58 10.098 -6.549 -5.715 1.00 0.00 O ATOM 821 CB ALA A 58 8.014 -6.687 -3.068 1.00 0.00 C ATOM 0 H ALA A 58 9.326 -5.048 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 58 10.019 -7.343 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.611 -7.397 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.945 -7.109 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.441 -5.761 -3.112 1.00 0.00 H new ATOM 827 N ASN A 59 9.307 -4.569 -4.962 1.00 0.00 N ATOM 828 CA ASN A 59 9.423 -3.906 -6.249 1.00 0.00 C ATOM 829 C ASN A 59 10.350 -2.697 -6.114 1.00 0.00 C ATOM 830 O ASN A 59 10.100 -1.806 -5.304 1.00 0.00 O ATOM 831 CB ASN A 59 8.061 -3.406 -6.736 1.00 0.00 C ATOM 832 CG ASN A 59 7.328 -2.647 -5.628 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.421 -2.967 -4.454 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.596 -1.626 -6.064 1.00 0.00 N ATOM 0 H ASN A 59 8.942 -3.982 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 59 9.820 -4.626 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.196 -2.755 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.456 -4.251 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.069 -1.057 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.562 -1.412 -7.061 1.00 0.00 H new ATOM 841 N LYS A 60 11.402 -2.705 -6.920 1.00 0.00 N ATOM 842 CA LYS A 60 12.368 -1.620 -6.901 1.00 0.00 C ATOM 843 C LYS A 60 11.638 -0.289 -7.098 1.00 0.00 C ATOM 844 O LYS A 60 11.923 0.687 -6.406 1.00 0.00 O ATOM 845 CB LYS A 60 13.476 -1.871 -7.925 1.00 0.00 C ATOM 846 CG LYS A 60 14.819 -1.338 -7.422 1.00 0.00 C ATOM 847 CD LYS A 60 15.852 -1.299 -8.550 1.00 0.00 C ATOM 848 CE LYS A 60 16.996 -0.341 -8.214 1.00 0.00 C ATOM 849 NZ LYS A 60 18.233 -0.743 -8.919 1.00 0.00 N ATOM 0 H LYS A 60 11.606 -3.446 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 60 12.866 -1.571 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.557 -2.940 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.220 -1.389 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.686 -0.337 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.184 -1.969 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.249 -2.300 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.372 -0.986 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.722 0.675 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.169 -0.335 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.999 -0.082 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.502 -1.705 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.069 -0.725 -9.946 1.00 0.00 H new ATOM 863 N GLU A 61 10.711 -0.294 -8.044 1.00 0.00 N ATOM 864 CA GLU A 61 9.939 0.900 -8.341 1.00 0.00 C ATOM 865 C GLU A 61 8.496 0.733 -7.859 1.00 0.00 C ATOM 866 O GLU A 61 8.012 -0.389 -7.717 1.00 0.00 O ATOM 867 CB GLU A 61 9.983 1.225 -9.835 1.00 0.00 C ATOM 868 CG GLU A 61 9.225 0.173 -10.648 1.00 0.00 C ATOM 869 CD GLU A 61 10.170 -0.582 -11.584 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.747 0.087 -12.468 1.00 0.00 O ATOM 871 OE2 GLU A 61 10.294 -1.812 -11.395 1.00 0.00 O ATOM 0 H GLU A 61 10.477 -1.106 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 61 10.386 1.739 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.547 2.208 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.019 1.272 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.737 -0.530 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.439 0.655 -11.230 1.00 0.00 H new ATOM 878 N PRO A 62 7.834 1.895 -7.613 1.00 0.00 N ATOM 879 CA PRO A 62 6.457 1.888 -7.149 1.00 0.00 C ATOM 880 C PRO A 62 5.496 1.541 -8.289 1.00 0.00 C ATOM 881 O PRO A 62 5.588 2.107 -9.377 1.00 0.00 O ATOM 882 CB PRO A 62 6.226 3.278 -6.580 1.00 0.00 C ATOM 883 CG PRO A 62 7.323 4.154 -7.163 1.00 0.00 C ATOM 884 CD PRO A 62 8.376 3.241 -7.769 1.00 0.00 C ATOM 0 HA PRO A 62 6.273 1.127 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.240 3.653 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.272 3.267 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.915 4.822 -7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.763 4.782 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.550 3.479 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.332 3.345 -7.256 1.00 0.00 H new ATOM 892 N VAL A 63 4.597 0.612 -8.000 1.00 0.00 N ATOM 893 CA VAL A 63 3.621 0.183 -8.987 1.00 0.00 C ATOM 894 C VAL A 63 2.555 1.269 -9.148 1.00 0.00 C ATOM 895 O VAL A 63 2.532 2.239 -8.392 1.00 0.00 O ATOM 896 CB VAL A 63 3.036 -1.174 -8.589 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.138 -2.228 -8.457 1.00 0.00 C ATOM 898 CG2 VAL A 63 2.224 -1.064 -7.297 1.00 0.00 C ATOM 0 H VAL A 63 4.524 0.144 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 63 4.095 0.045 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 63 2.360 -1.493 -9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.696 -3.183 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.654 -2.336 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.850 -1.916 -7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.820 -2.042 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.868 -0.712 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.405 -0.359 -7.441 1.00 0.00 H new ATOM 908 N GLU A 64 1.698 1.069 -10.139 1.00 0.00 N ATOM 909 CA GLU A 64 0.632 2.019 -10.409 1.00 0.00 C ATOM 910 C GLU A 64 -0.724 1.415 -10.038 1.00 0.00 C ATOM 911 O GLU A 64 -1.624 2.127 -9.594 1.00 0.00 O ATOM 912 CB GLU A 64 0.652 2.463 -11.873 1.00 0.00 C ATOM 913 CG GLU A 64 0.206 1.328 -12.797 1.00 0.00 C ATOM 914 CD GLU A 64 0.767 1.516 -14.208 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.281 2.442 -14.893 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.669 0.731 -14.570 1.00 0.00 O ATOM 0 H GLU A 64 1.720 0.263 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 64 0.795 2.903 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.005 3.323 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.657 2.785 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.541 0.373 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.883 1.293 -12.836 1.00 0.00 H new ATOM 923 N ARG A 65 -0.828 0.109 -10.234 1.00 0.00 N ATOM 924 CA ARG A 65 -2.059 -0.599 -9.926 1.00 0.00 C ATOM 925 C ARG A 65 -2.202 -0.780 -8.413 1.00 0.00 C ATOM 926 O ARG A 65 -1.261 -0.527 -7.662 1.00 0.00 O ATOM 927 CB ARG A 65 -2.090 -1.971 -10.602 1.00 0.00 C ATOM 928 CG ARG A 65 -2.896 -1.922 -11.902 1.00 0.00 C ATOM 929 CD ARG A 65 -4.010 -2.972 -11.896 1.00 0.00 C ATOM 930 NE ARG A 65 -4.277 -3.434 -13.276 1.00 0.00 N ATOM 931 CZ ARG A 65 -4.823 -2.671 -14.232 1.00 0.00 C ATOM 932 NH1 ARG A 65 -5.164 -1.403 -13.964 1.00 0.00 N ATOM 933 NH2 ARG A 65 -5.029 -3.175 -15.457 1.00 0.00 N ATOM 0 H ARG A 65 -0.080 -0.478 -10.603 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.889 -0.002 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.072 -2.300 -10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.528 -2.704 -9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.328 -0.929 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.234 -2.093 -12.751 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.722 -3.817 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.917 -2.550 -11.463 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.030 -4.394 -13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.008 -1.019 -13.032 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.580 -0.822 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.770 -4.140 -15.662 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.445 -2.593 -16.184 1.00 0.00 H new ATOM 947 N CYS A 66 -3.386 -1.218 -8.011 1.00 0.00 N ATOM 948 CA CYS A 66 -3.664 -1.436 -6.602 1.00 0.00 C ATOM 949 C CYS A 66 -3.334 -2.892 -6.267 1.00 0.00 C ATOM 950 O CYS A 66 -4.125 -3.579 -5.622 1.00 0.00 O ATOM 951 CB CYS A 66 -5.111 -1.084 -6.249 1.00 0.00 C ATOM 952 SG CYS A 66 -6.248 -2.338 -6.943 1.00 0.00 S ATOM 0 H CYS A 66 -4.164 -1.428 -8.637 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.041 -0.775 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.228 -1.035 -5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.360 -0.098 -6.642 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.914 -3.516 -6.506 1.00 0.00 H new ATOM 958 N GLY A 67 -2.165 -3.320 -6.720 1.00 0.00 N ATOM 959 CA GLY A 67 -1.720 -4.681 -6.477 1.00 0.00 C ATOM 960 C GLY A 67 -0.314 -4.907 -7.036 1.00 0.00 C ATOM 961 O GLY A 67 0.277 -4.003 -7.624 1.00 0.00 O ATOM 0 H GLY A 67 -1.512 -2.747 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.726 -4.883 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.415 -5.382 -6.938 1.00 0.00 H new ATOM 965 N PHE A 68 0.182 -6.119 -6.832 1.00 0.00 N ATOM 966 CA PHE A 68 1.508 -6.475 -7.308 1.00 0.00 C ATOM 967 C PHE A 68 1.763 -7.975 -7.148 1.00 0.00 C ATOM 968 O PHE A 68 0.968 -8.681 -6.529 1.00 0.00 O ATOM 969 CB PHE A 68 2.513 -5.704 -6.450 1.00 0.00 C ATOM 970 CG PHE A 68 3.974 -5.952 -6.830 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.498 -5.363 -7.939 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.749 -6.761 -6.059 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.854 -5.594 -8.291 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.105 -6.991 -6.412 1.00 0.00 C ATOM 975 CZ PHE A 68 6.629 -6.403 -7.521 1.00 0.00 C ATOM 0 H PHE A 68 -0.311 -6.867 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 68 1.603 -6.228 -8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.303 -4.638 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.368 -5.978 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.883 -4.720 -8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.333 -7.228 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.270 -5.127 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.721 -7.633 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.660 -6.579 -7.790 1.00 0.00 H new ATOM 985 N THR A 69 2.875 -8.418 -7.717 1.00 0.00 N ATOM 986 CA THR A 69 3.245 -9.821 -7.645 1.00 0.00 C ATOM 987 C THR A 69 4.700 -9.966 -7.194 1.00 0.00 C ATOM 988 O THR A 69 5.620 -9.623 -7.935 1.00 0.00 O ATOM 989 CB THR A 69 2.965 -10.454 -9.009 1.00 0.00 C ATOM 990 OG1 THR A 69 1.569 -10.735 -8.982 1.00 0.00 O ATOM 991 CG2 THR A 69 3.619 -11.829 -9.162 1.00 0.00 C ATOM 0 H THR A 69 3.532 -7.830 -8.230 1.00 0.00 H new ATOM 0 HA THR A 69 2.652 -10.349 -6.898 1.00 0.00 H new ATOM 0 HB THR A 69 3.324 -9.792 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.302 -11.146 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.389 -12.234 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.699 -11.732 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.235 -12.502 -8.395 1.00 0.00 H new ATOM 999 N VAL A 70 4.862 -10.475 -5.982 1.00 0.00 N ATOM 1000 CA VAL A 70 6.190 -10.670 -5.424 1.00 0.00 C ATOM 1001 C VAL A 70 6.835 -11.897 -6.071 1.00 0.00 C ATOM 1002 O VAL A 70 6.138 -12.799 -6.534 1.00 0.00 O ATOM 1003 CB VAL A 70 6.107 -10.773 -3.900 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.503 -10.813 -3.276 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.279 -9.625 -3.317 1.00 0.00 C ATOM 0 H VAL A 70 4.096 -10.758 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 70 6.827 -9.813 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 70 5.603 -11.708 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.415 -10.886 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.046 -11.678 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.044 -9.903 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.236 -9.722 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.742 -8.673 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.269 -9.661 -3.725 1.00 0.00 H new ATOM 1015 N LYS A 71 8.160 -11.892 -6.083 1.00 0.00 N ATOM 1016 CA LYS A 71 8.907 -12.994 -6.666 1.00 0.00 C ATOM 1017 C LYS A 71 10.086 -13.344 -5.755 1.00 0.00 C ATOM 1018 O LYS A 71 10.372 -12.623 -4.800 1.00 0.00 O ATOM 1019 CB LYS A 71 9.318 -12.663 -8.102 1.00 0.00 C ATOM 1020 CG LYS A 71 10.113 -11.356 -8.157 1.00 0.00 C ATOM 1021 CD LYS A 71 9.917 -10.652 -9.502 1.00 0.00 C ATOM 1022 CE LYS A 71 8.594 -9.885 -9.532 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.796 -8.525 -10.080 1.00 0.00 N ATOM 0 H LYS A 71 8.735 -11.143 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 71 8.281 -13.884 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.919 -13.476 -8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.430 -12.579 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.795 -10.698 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.172 -11.563 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.744 -9.965 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.934 -11.387 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.868 -10.424 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.181 -9.820 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.888 -8.018 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.473 -8.007 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.169 -8.593 -11.048 1.00 0.00 H new ATOM 1037 N ASP A 72 10.737 -14.450 -6.081 1.00 0.00 N ATOM 1038 CA ASP A 72 11.878 -14.904 -5.305 1.00 0.00 C ATOM 1039 C ASP A 72 11.485 -14.985 -3.828 1.00 0.00 C ATOM 1040 O ASP A 72 11.722 -14.049 -3.067 1.00 0.00 O ATOM 1041 CB ASP A 72 13.052 -13.930 -5.428 1.00 0.00 C ATOM 1042 CG ASP A 72 13.715 -13.889 -6.806 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.153 -14.969 -7.258 1.00 0.00 O ATOM 1044 OD2 ASP A 72 13.770 -12.778 -7.377 1.00 0.00 O ATOM 0 H ASP A 72 10.496 -15.046 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 72 12.178 -15.880 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.701 -12.928 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.805 -14.197 -4.687 1.00 0.00 H new ATOM 1049 N LEU A 73 10.890 -16.113 -3.468 1.00 0.00 N ATOM 1050 CA LEU A 73 10.461 -16.328 -2.097 1.00 0.00 C ATOM 1051 C LEU A 73 10.661 -17.800 -1.730 1.00 0.00 C ATOM 1052 O LEU A 73 10.477 -18.683 -2.567 1.00 0.00 O ATOM 1053 CB LEU A 73 9.026 -15.834 -1.900 1.00 0.00 C ATOM 1054 CG LEU A 73 8.707 -14.454 -2.478 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.197 -14.259 -2.628 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.348 -13.347 -1.640 1.00 0.00 C ATOM 0 H LEU A 73 10.695 -16.888 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 73 11.072 -15.742 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.348 -16.560 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.812 -15.817 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 73 9.140 -14.393 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.997 -13.270 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.797 -15.020 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.720 -14.348 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.106 -12.376 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.966 -13.395 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.430 -13.479 -1.629 1.00 0.00 H new ATOM 1068 N PRO A 74 11.043 -18.025 -0.444 1.00 0.00 N ATOM 1069 CA PRO A 74 11.270 -19.375 0.044 1.00 0.00 C ATOM 1070 C PRO A 74 9.944 -20.104 0.274 1.00 0.00 C ATOM 1071 O PRO A 74 9.121 -19.665 1.076 1.00 0.00 O ATOM 1072 CB PRO A 74 12.082 -19.202 1.317 1.00 0.00 C ATOM 1073 CG PRO A 74 11.884 -17.757 1.744 1.00 0.00 C ATOM 1074 CD PRO A 74 11.270 -17.004 0.575 1.00 0.00 C ATOM 0 HA PRO A 74 11.806 -19.997 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.743 -19.889 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.136 -19.416 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.233 -17.703 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.836 -17.309 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.338 -16.517 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.938 -16.223 0.212 1.00 0.00 H new ATOM 1082 N THR A 75 9.779 -21.206 -0.443 1.00 0.00 N ATOM 1083 CA THR A 75 8.568 -22.000 -0.327 1.00 0.00 C ATOM 1084 C THR A 75 8.416 -22.535 1.098 1.00 0.00 C ATOM 1085 O THR A 75 9.260 -23.294 1.573 1.00 0.00 O ATOM 1086 CB THR A 75 8.621 -23.101 -1.388 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.688 -22.392 -2.622 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.313 -23.888 -1.481 1.00 0.00 C ATOM 0 H THR A 75 10.464 -21.568 -1.107 1.00 0.00 H new ATOM 0 HA THR A 75 7.679 -21.396 -0.510 1.00 0.00 H new ATOM 0 HB THR A 75 9.440 -23.784 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.982 -21.712 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.405 -24.656 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.102 -24.358 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.499 -23.211 -1.740 1.00 0.00 H new ATOM 1096 N GLY A 76 7.335 -22.120 1.740 1.00 0.00 N ATOM 1097 CA GLY A 76 7.061 -22.548 3.101 1.00 0.00 C ATOM 1098 C GLY A 76 7.719 -21.609 4.114 1.00 0.00 C ATOM 1099 O GLY A 76 8.291 -22.061 5.105 1.00 0.00 O ATOM 0 H GLY A 76 6.637 -21.491 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.984 -22.572 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.430 -23.563 3.248 1.00 0.00 H new ATOM 1103 N ALA A 77 7.615 -20.319 3.831 1.00 0.00 N ATOM 1104 CA ALA A 77 8.192 -19.312 4.705 1.00 0.00 C ATOM 1105 C ALA A 77 7.139 -18.247 5.015 1.00 0.00 C ATOM 1106 O ALA A 77 6.507 -17.710 4.106 1.00 0.00 O ATOM 1107 CB ALA A 77 9.442 -18.722 4.049 1.00 0.00 C ATOM 0 H ALA A 77 7.140 -19.948 3.008 1.00 0.00 H new ATOM 0 HA ALA A 77 8.499 -19.757 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.875 -17.966 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.171 -19.514 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.172 -18.265 3.097 1.00 0.00 H new ATOM 1113 N ARG A 78 6.981 -17.973 6.302 1.00 0.00 N ATOM 1114 CA ARG A 78 6.015 -16.981 6.743 1.00 0.00 C ATOM 1115 C ARG A 78 6.534 -15.571 6.457 1.00 0.00 C ATOM 1116 O ARG A 78 7.214 -14.975 7.291 1.00 0.00 O ATOM 1117 CB ARG A 78 5.729 -17.119 8.239 1.00 0.00 C ATOM 1118 CG ARG A 78 4.446 -17.917 8.481 1.00 0.00 C ATOM 1119 CD ARG A 78 4.712 -19.122 9.385 1.00 0.00 C ATOM 1120 NE ARG A 78 4.550 -20.376 8.616 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.588 -21.601 9.159 1.00 0.00 C ATOM 1122 NH1 ARG A 78 4.781 -21.743 10.477 1.00 0.00 N ATOM 1123 NH2 ARG A 78 4.431 -22.683 8.384 1.00 0.00 N ATOM 0 H ARG A 78 7.506 -18.421 7.053 1.00 0.00 H new ATOM 0 HA ARG A 78 5.090 -17.150 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.567 -17.614 8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.636 -16.130 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.694 -17.274 8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.039 -18.256 7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.720 -19.064 9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.024 -19.112 10.230 1.00 0.00 H new ATOM 0 HE ARG A 78 4.400 -20.304 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.899 -20.919 11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.810 -22.675 10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.283 -22.575 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.460 -23.615 8.797 1.00 0.00 H new ATOM 1137 N ILE A 79 6.192 -15.077 5.276 1.00 0.00 N ATOM 1138 CA ILE A 79 6.615 -13.747 4.870 1.00 0.00 C ATOM 1139 C ILE A 79 5.442 -12.776 5.019 1.00 0.00 C ATOM 1140 O ILE A 79 4.310 -13.106 4.669 1.00 0.00 O ATOM 1141 CB ILE A 79 7.210 -13.781 3.460 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.353 -14.795 3.372 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.647 -12.384 3.016 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.772 -15.023 1.919 1.00 0.00 C ATOM 0 H ILE A 79 5.627 -15.574 4.587 1.00 0.00 H new ATOM 0 HA ILE A 79 7.413 -13.386 5.519 1.00 0.00 H new ATOM 0 HB ILE A 79 6.434 -14.110 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.206 -14.438 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.041 -15.740 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.066 -12.436 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.785 -11.716 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.401 -12.003 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.586 -15.748 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.923 -15.403 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.106 -14.081 1.485 1.00 0.00 H new ATOM 1156 N LEU A 80 5.754 -11.598 5.538 1.00 0.00 N ATOM 1157 CA LEU A 80 4.740 -10.577 5.738 1.00 0.00 C ATOM 1158 C LEU A 80 4.874 -9.511 4.648 1.00 0.00 C ATOM 1159 O LEU A 80 5.948 -8.943 4.459 1.00 0.00 O ATOM 1160 CB LEU A 80 4.817 -10.016 7.159 1.00 0.00 C ATOM 1161 CG LEU A 80 4.148 -10.856 8.249 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.612 -10.419 9.640 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.624 -10.817 8.114 1.00 0.00 C ATOM 0 H LEU A 80 6.694 -11.328 5.826 1.00 0.00 H new ATOM 0 HA LEU A 80 3.743 -11.007 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.867 -9.887 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.363 -9.025 7.162 1.00 0.00 H new ATOM 0 HG LEU A 80 4.456 -11.893 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.122 -11.032 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.692 -10.541 9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.353 -9.372 9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.173 -11.422 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.277 -9.788 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.335 -11.214 7.141 1.00 0.00 H new ATOM 1175 N PHE A 81 3.767 -9.272 3.960 1.00 0.00 N ATOM 1176 CA PHE A 81 3.748 -8.285 2.894 1.00 0.00 C ATOM 1177 C PHE A 81 3.087 -6.986 3.361 1.00 0.00 C ATOM 1178 O PHE A 81 2.042 -7.015 4.009 1.00 0.00 O ATOM 1179 CB PHE A 81 2.924 -8.878 1.749 1.00 0.00 C ATOM 1180 CG PHE A 81 3.516 -10.158 1.155 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.784 -10.156 0.663 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.775 -11.297 1.119 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.334 -11.343 0.111 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.324 -12.485 0.568 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.592 -12.483 0.075 1.00 0.00 C ATOM 0 H PHE A 81 2.877 -9.745 4.120 1.00 0.00 H new ATOM 0 HA PHE A 81 4.767 -8.053 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.918 -9.089 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.829 -8.133 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.373 -9.251 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.768 -11.298 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.341 -11.341 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.735 -13.390 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.010 -13.386 -0.345 1.00 0.00 H new ATOM 1195 N ARG A 82 3.724 -5.877 3.014 1.00 0.00 N ATOM 1196 CA ARG A 82 3.212 -4.571 3.390 1.00 0.00 C ATOM 1197 C ARG A 82 3.314 -3.601 2.211 1.00 0.00 C ATOM 1198 O ARG A 82 4.343 -3.540 1.540 1.00 0.00 O ATOM 1199 CB ARG A 82 3.984 -3.998 4.581 1.00 0.00 C ATOM 1200 CG ARG A 82 5.374 -3.521 4.155 1.00 0.00 C ATOM 1201 CD ARG A 82 6.155 -2.973 5.350 1.00 0.00 C ATOM 1202 NE ARG A 82 7.540 -2.646 4.943 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.874 -1.575 4.209 1.00 0.00 C ATOM 1204 NH1 ARG A 82 6.925 -0.723 3.798 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.156 -1.358 3.886 1.00 0.00 N ATOM 0 H ARG A 82 4.590 -5.857 2.476 1.00 0.00 H new ATOM 0 HA ARG A 82 2.167 -4.694 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.427 -3.167 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.078 -4.757 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.924 -4.347 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.279 -2.748 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.662 -2.082 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.168 -3.708 6.155 1.00 0.00 H new ATOM 0 HE ARG A 82 8.287 -3.275 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.949 -0.889 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.178 0.092 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.878 -2.008 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.410 -0.543 3.328 1.00 0.00 H new ATOM 1219 N VAL A 83 2.232 -2.867 1.995 1.00 0.00 N ATOM 1220 CA VAL A 83 2.187 -1.903 0.908 1.00 0.00 C ATOM 1221 C VAL A 83 2.171 -0.488 1.488 1.00 0.00 C ATOM 1222 O VAL A 83 1.412 -0.200 2.412 1.00 0.00 O ATOM 1223 CB VAL A 83 0.988 -2.192 0.003 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.564 -0.936 -0.763 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.291 -3.343 -0.958 1.00 0.00 C ATOM 0 H VAL A 83 1.380 -2.920 2.554 1.00 0.00 H new ATOM 0 HA VAL A 83 3.077 -1.988 0.284 1.00 0.00 H new ATOM 0 HB VAL A 83 0.155 -2.495 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.290 -1.169 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.287 -0.154 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.393 -0.590 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.422 -3.528 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.145 -3.080 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.522 -4.242 -0.387 1.00 0.00 H new ATOM 1235 N VAL A 84 3.018 0.359 0.922 1.00 0.00 N ATOM 1236 CA VAL A 84 3.111 1.738 1.371 1.00 0.00 C ATOM 1237 C VAL A 84 2.945 2.673 0.172 1.00 0.00 C ATOM 1238 O VAL A 84 3.553 2.458 -0.876 1.00 0.00 O ATOM 1239 CB VAL A 84 4.426 1.956 2.122 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.341 1.408 3.548 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.600 1.332 1.364 1.00 0.00 C ATOM 0 H VAL A 84 3.646 0.117 0.156 1.00 0.00 H new ATOM 0 HA VAL A 84 2.309 1.966 2.074 1.00 0.00 H new ATOM 0 HB VAL A 84 4.601 3.030 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.289 1.576 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.543 1.918 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.131 0.339 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.523 1.501 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.434 0.260 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.681 1.789 0.378 1.00 0.00 H new ATOM 1251 N GLY A 85 2.119 3.691 0.365 1.00 0.00 N ATOM 1252 CA GLY A 85 1.866 4.659 -0.688 1.00 0.00 C ATOM 1253 C GLY A 85 2.991 5.694 -0.763 1.00 0.00 C ATOM 1254 O GLY A 85 3.216 6.441 0.188 1.00 0.00 O ATOM 0 H GLY A 85 1.616 3.866 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.775 4.145 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.916 5.161 -0.505 1.00 0.00 H new ATOM 1258 N VAL A 86 3.667 5.705 -1.903 1.00 0.00 N ATOM 1259 CA VAL A 86 4.762 6.636 -2.114 1.00 0.00 C ATOM 1260 C VAL A 86 4.249 7.855 -2.883 1.00 0.00 C ATOM 1261 O VAL A 86 3.217 7.784 -3.549 1.00 0.00 O ATOM 1262 CB VAL A 86 5.921 5.928 -2.820 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.703 5.048 -1.843 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.420 5.112 -4.013 1.00 0.00 C ATOM 0 H VAL A 86 3.477 5.084 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 86 5.149 6.993 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 86 6.600 6.692 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.521 4.557 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.108 5.665 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.039 4.294 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.263 4.619 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.710 4.360 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.929 5.774 -4.726 1.00 0.00 H new ATOM 1274 N ASN A 87 4.992 8.945 -2.765 1.00 0.00 N ATOM 1275 CA ASN A 87 4.625 10.178 -3.440 1.00 0.00 C ATOM 1276 C ASN A 87 5.622 11.276 -3.065 1.00 0.00 C ATOM 1277 O ASN A 87 6.576 11.029 -2.330 1.00 0.00 O ATOM 1278 CB ASN A 87 3.229 10.642 -3.019 1.00 0.00 C ATOM 1279 CG ASN A 87 3.202 11.022 -1.537 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.938 10.493 -0.720 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.314 11.965 -1.237 1.00 0.00 N ATOM 0 H ASN A 87 5.847 9.000 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 87 4.634 9.990 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.929 11.498 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.506 9.849 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.218 12.287 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.729 12.366 -1.970 1.00 0.00 H new ATOM 1288 N ILE A 88 5.366 12.467 -3.588 1.00 0.00 N ATOM 1289 CA ILE A 88 6.229 13.604 -3.317 1.00 0.00 C ATOM 1290 C ILE A 88 6.429 13.739 -1.806 1.00 0.00 C ATOM 1291 O ILE A 88 7.533 14.023 -1.345 1.00 0.00 O ATOM 1292 CB ILE A 88 5.675 14.867 -3.979 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.680 16.017 -3.893 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.317 15.247 -3.385 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.792 16.748 -5.233 1.00 0.00 C ATOM 0 H ILE A 88 4.573 12.669 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 88 7.214 13.447 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 88 5.516 14.657 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.371 16.718 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.657 15.630 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.946 16.148 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.610 14.432 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.426 15.432 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.513 17.561 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.124 16.050 -6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.819 17.154 -5.508 1.00 0.00 H new ATOM 1307 N ALA A 89 5.343 13.528 -1.077 1.00 0.00 N ATOM 1308 CA ALA A 89 5.384 13.623 0.373 1.00 0.00 C ATOM 1309 C ALA A 89 6.444 12.659 0.912 1.00 0.00 C ATOM 1310 O ALA A 89 7.251 13.032 1.762 1.00 0.00 O ATOM 1311 CB ALA A 89 3.994 13.339 0.943 1.00 0.00 C ATOM 0 H ALA A 89 4.429 13.292 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 89 5.664 14.629 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.025 13.410 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.284 14.068 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.680 12.336 0.654 1.00 0.00 H new ATOM 1317 N GLY A 90 6.406 11.440 0.395 1.00 0.00 N ATOM 1318 CA GLY A 90 7.353 10.420 0.814 1.00 0.00 C ATOM 1319 C GLY A 90 6.689 9.043 0.866 1.00 0.00 C ATOM 1320 O GLY A 90 6.430 8.436 -0.172 1.00 0.00 O ATOM 0 H GLY A 90 5.735 11.135 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.196 10.395 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.753 10.672 1.796 1.00 0.00 H new ATOM 1324 N ARG A 91 6.432 8.591 2.084 1.00 0.00 N ATOM 1325 CA ARG A 91 5.803 7.296 2.285 1.00 0.00 C ATOM 1326 C ARG A 91 4.712 7.396 3.353 1.00 0.00 C ATOM 1327 O ARG A 91 4.625 8.395 4.066 1.00 0.00 O ATOM 1328 CB ARG A 91 6.829 6.245 2.711 1.00 0.00 C ATOM 1329 CG ARG A 91 7.763 6.796 3.790 1.00 0.00 C ATOM 1330 CD ARG A 91 8.487 5.663 4.521 1.00 0.00 C ATOM 1331 NE ARG A 91 7.796 5.359 5.794 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.023 4.261 6.528 1.00 0.00 C ATOM 1333 NH1 ARG A 91 8.923 3.357 6.120 1.00 0.00 N ATOM 1334 NH2 ARG A 91 7.349 4.068 7.670 1.00 0.00 N ATOM 0 H ARG A 91 6.648 9.098 2.942 1.00 0.00 H new ATOM 0 HA ARG A 91 5.361 6.992 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.314 5.361 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.413 5.930 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.493 7.466 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.190 7.387 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.516 4.773 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.521 5.948 4.718 1.00 0.00 H new ATOM 0 HE ARG A 91 7.104 6.027 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.436 3.504 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.096 2.521 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.664 4.757 7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.521 3.232 8.229 1.00 0.00 H new ATOM 1348 N SER A 92 3.906 6.348 3.430 1.00 0.00 N ATOM 1349 CA SER A 92 2.824 6.305 4.399 1.00 0.00 C ATOM 1350 C SER A 92 2.879 4.995 5.187 1.00 0.00 C ATOM 1351 O SER A 92 3.640 4.091 4.845 1.00 0.00 O ATOM 1352 CB SER A 92 1.464 6.455 3.714 1.00 0.00 C ATOM 1353 OG SER A 92 1.199 5.383 2.814 1.00 0.00 O ATOM 0 H SER A 92 3.980 5.521 2.837 1.00 0.00 H new ATOM 0 HA SER A 92 2.948 7.141 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.680 6.496 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.433 7.400 3.171 1.00 0.00 H new ATOM 0 HG SER A 92 0.402 5.591 2.283 1.00 0.00 H new ATOM 1359 N GLU A 93 2.062 4.933 6.229 1.00 0.00 N ATOM 1360 CA GLU A 93 2.008 3.748 7.068 1.00 0.00 C ATOM 1361 C GLU A 93 1.819 2.497 6.209 1.00 0.00 C ATOM 1362 O GLU A 93 0.991 2.483 5.300 1.00 0.00 O ATOM 1363 CB GLU A 93 0.899 3.868 8.115 1.00 0.00 C ATOM 1364 CG GLU A 93 1.357 4.712 9.306 1.00 0.00 C ATOM 1365 CD GLU A 93 1.393 3.878 10.588 1.00 0.00 C ATOM 1366 OE1 GLU A 93 1.927 2.750 10.516 1.00 0.00 O ATOM 1367 OE2 GLU A 93 0.886 4.387 11.611 1.00 0.00 O ATOM 0 H GLU A 93 1.432 5.684 6.511 1.00 0.00 H new ATOM 0 HA GLU A 93 2.956 3.659 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.015 4.319 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.610 2.875 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.347 5.122 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.683 5.558 9.437 1.00 0.00 H new ATOM 1374 N PRO A 94 2.621 1.448 6.536 1.00 0.00 N ATOM 1375 CA PRO A 94 2.550 0.195 5.804 1.00 0.00 C ATOM 1376 C PRO A 94 1.299 -0.596 6.193 1.00 0.00 C ATOM 1377 O PRO A 94 1.057 -0.841 7.373 1.00 0.00 O ATOM 1378 CB PRO A 94 3.841 -0.532 6.142 1.00 0.00 C ATOM 1379 CG PRO A 94 4.372 0.126 7.406 1.00 0.00 C ATOM 1380 CD PRO A 94 3.614 1.428 7.606 1.00 0.00 C ATOM 0 HA PRO A 94 2.461 0.341 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.660 -1.595 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.560 -0.450 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.236 -0.531 8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.442 0.316 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.140 1.463 8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.281 2.288 7.543 1.00 0.00 H new ATOM 1388 N ALA A 95 0.538 -0.975 5.176 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.681 -1.733 5.397 1.00 0.00 C ATOM 1390 C ALA A 95 -0.330 -3.209 5.596 1.00 0.00 C ATOM 1391 O ALA A 95 -0.858 -4.076 4.901 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.638 -1.515 4.222 1.00 0.00 C ATOM 0 H ALA A 95 0.742 -0.771 4.198 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.188 -1.390 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.553 -2.084 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.879 -0.455 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.164 -1.851 3.300 1.00 0.00 H new ATOM 1398 N THR A 96 0.559 -3.449 6.549 1.00 0.00 N ATOM 1399 CA THR A 96 0.987 -4.805 6.849 1.00 0.00 C ATOM 1400 C THR A 96 -0.203 -5.765 6.791 1.00 0.00 C ATOM 1401 O THR A 96 -1.320 -5.397 7.150 1.00 0.00 O ATOM 1402 CB THR A 96 1.690 -4.789 8.208 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.371 -3.538 8.232 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.811 -5.826 8.299 1.00 0.00 C ATOM 0 H THR A 96 0.995 -2.727 7.123 1.00 0.00 H new ATOM 0 HA THR A 96 1.695 -5.170 6.105 1.00 0.00 H new ATOM 0 HB THR A 96 0.960 -4.973 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.853 -3.444 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.277 -5.773 9.283 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.398 -6.823 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.558 -5.622 7.532 1.00 0.00 H new ATOM 1412 N LEU A 97 0.078 -6.977 6.334 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.955 -7.992 6.225 1.00 0.00 C ATOM 1414 C LEU A 97 -1.359 -8.457 7.625 1.00 0.00 C ATOM 1415 O LEU A 97 -0.531 -8.490 8.535 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.495 -9.128 5.309 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.760 -8.935 3.814 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.097 -10.041 2.992 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.261 -8.832 3.533 1.00 0.00 C ATOM 0 H LEU A 97 1.006 -7.278 6.035 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.848 -7.577 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.576 -9.272 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.986 -10.047 5.629 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.309 -7.992 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.301 -9.880 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.980 -10.024 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.496 -11.009 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.422 -8.695 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.756 -9.746 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.675 -7.981 4.074 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.631 -8.804 7.755 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.154 -9.265 9.030 1.00 0.00 C ATOM 1433 C LEU A 98 -2.525 -10.617 9.376 1.00 0.00 C ATOM 1434 O LEU A 98 -2.415 -10.972 10.548 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.684 -9.288 9.005 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.384 -8.300 9.940 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.770 -7.928 9.407 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.447 -8.847 11.368 1.00 0.00 C ATOM 0 H LEU A 98 -3.315 -8.775 6.999 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.881 -8.572 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.014 -9.089 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.017 -10.295 9.257 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.795 -7.384 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.246 -7.225 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.670 -7.468 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.382 -8.826 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.949 -8.125 12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.001 -9.786 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.436 -9.020 11.736 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.128 -11.333 8.334 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.513 -12.637 8.513 1.00 0.00 C ATOM 1452 C GLN A 99 -0.406 -12.848 7.478 1.00 0.00 C ATOM 1453 O GLN A 99 -0.473 -12.310 6.374 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.558 -13.751 8.434 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.550 -13.657 9.594 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.364 -14.946 9.727 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -3.966 -15.898 10.377 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -5.523 -14.922 9.075 1.00 0.00 N ATOM 0 H GLN A 99 -2.220 -11.035 7.363 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.066 -12.674 9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.094 -13.685 7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.062 -14.721 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.012 -13.465 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.222 -12.813 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.795 -14.091 8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.140 -15.734 9.101 1.00 0.00 H new ATOM 1467 N PRO A 100 0.612 -13.654 7.882 1.00 0.00 N ATOM 1468 CA PRO A 100 1.732 -13.943 7.002 1.00 0.00 C ATOM 1469 C PRO A 100 1.330 -14.939 5.912 1.00 0.00 C ATOM 1470 O PRO A 100 0.221 -15.471 5.931 1.00 0.00 O ATOM 1471 CB PRO A 100 2.824 -14.472 7.916 1.00 0.00 C ATOM 1472 CG PRO A 100 2.126 -14.896 9.198 1.00 0.00 C ATOM 1473 CD PRO A 100 0.724 -14.309 9.182 1.00 0.00 C ATOM 0 HA PRO A 100 2.078 -13.064 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.343 -15.314 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.573 -13.705 8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.084 -15.983 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.678 -14.542 10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.032 -15.085 9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.583 -13.599 9.997 1.00 0.00 H new ATOM 1481 N VAL A 101 2.253 -15.161 4.988 1.00 0.00 N ATOM 1482 CA VAL A 101 2.009 -16.083 3.892 1.00 0.00 C ATOM 1483 C VAL A 101 3.034 -17.218 3.949 1.00 0.00 C ATOM 1484 O VAL A 101 4.225 -16.974 4.135 1.00 0.00 O ATOM 1485 CB VAL A 101 2.023 -15.330 2.561 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.078 -16.303 1.381 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.817 -14.396 2.446 1.00 0.00 C ATOM 0 H VAL A 101 3.172 -14.718 4.976 1.00 0.00 H new ATOM 0 HA VAL A 101 1.020 -16.533 3.984 1.00 0.00 H new ATOM 0 HB VAL A 101 2.924 -14.718 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.087 -15.742 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.982 -16.908 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.204 -16.954 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.852 -13.873 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.102 -14.979 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.841 -13.669 3.258 1.00 0.00 H new ATOM 1497 N THR A 102 2.533 -18.433 3.784 1.00 0.00 N ATOM 1498 CA THR A 102 3.390 -19.606 3.814 1.00 0.00 C ATOM 1499 C THR A 102 4.141 -19.752 2.489 1.00 0.00 C ATOM 1500 O THR A 102 5.198 -20.378 2.436 1.00 0.00 O ATOM 1501 CB THR A 102 2.521 -20.818 4.156 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.740 -21.020 5.550 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.033 -22.107 3.509 1.00 0.00 C ATOM 0 H THR A 102 1.544 -18.631 3.629 1.00 0.00 H new ATOM 0 HA THR A 102 4.160 -19.513 4.580 1.00 0.00 H new ATOM 0 HB THR A 102 1.496 -20.632 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.212 -21.787 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.381 -22.936 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.038 -21.993 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.046 -22.311 3.857 1.00 0.00 H new ATOM 1511 N ILE A 103 3.566 -19.162 1.452 1.00 0.00 N ATOM 1512 CA ILE A 103 4.167 -19.218 0.130 1.00 0.00 C ATOM 1513 C ILE A 103 4.162 -20.665 -0.367 1.00 0.00 C ATOM 1514 O ILE A 103 5.001 -21.467 0.038 1.00 0.00 O ATOM 1515 CB ILE A 103 5.557 -18.579 0.147 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.498 -17.152 0.696 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.203 -18.633 -1.239 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.765 -16.221 -0.273 1.00 0.00 C ATOM 0 H ILE A 103 2.690 -18.642 1.500 1.00 0.00 H new ATOM 0 HA ILE A 103 3.581 -18.635 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 103 6.190 -19.157 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.991 -17.151 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.509 -16.782 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.190 -18.172 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.300 -19.672 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.580 -18.094 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.737 -15.213 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.288 -16.206 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.747 -16.580 -0.422 1.00 0.00 H new ATOM 1530 N ARG A 104 3.206 -20.954 -1.238 1.00 0.00 N ATOM 1531 CA ARG A 104 3.080 -22.290 -1.795 1.00 0.00 C ATOM 1532 C ARG A 104 1.903 -22.350 -2.771 1.00 0.00 C ATOM 1533 O ARG A 104 0.903 -21.658 -2.586 1.00 0.00 O ATOM 1534 CB ARG A 104 2.872 -23.329 -0.692 1.00 0.00 C ATOM 1535 CG ARG A 104 4.108 -24.217 -0.535 1.00 0.00 C ATOM 1536 CD ARG A 104 3.718 -25.623 -0.075 1.00 0.00 C ATOM 1537 NE ARG A 104 4.875 -26.537 -0.204 1.00 0.00 N ATOM 1538 CZ ARG A 104 5.245 -27.123 -1.350 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.552 -26.894 -2.474 1.00 0.00 N ATOM 1540 NH2 ARG A 104 6.309 -27.938 -1.374 1.00 0.00 N ATOM 0 H ARG A 104 2.511 -20.286 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 104 4.006 -22.517 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.659 -22.826 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.004 -23.945 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.641 -24.276 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.792 -23.771 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.380 -25.595 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.884 -25.992 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 104 5.425 -26.733 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.743 -26.273 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.834 -27.340 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.837 -28.112 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.590 -28.384 -2.247 1.00 0.00 H new ATOM 1554 N GLU A 105 2.062 -23.183 -3.789 1.00 0.00 N ATOM 1555 CA GLU A 105 1.025 -23.341 -4.794 1.00 0.00 C ATOM 1556 C GLU A 105 0.155 -24.558 -4.472 1.00 0.00 C ATOM 1557 O GLU A 105 0.634 -25.533 -3.895 1.00 0.00 O ATOM 1558 CB GLU A 105 1.631 -23.457 -6.194 1.00 0.00 C ATOM 1559 CG GLU A 105 0.587 -23.153 -7.271 1.00 0.00 C ATOM 1560 CD GLU A 105 0.274 -24.402 -8.098 1.00 0.00 C ATOM 1561 OE1 GLU A 105 1.013 -24.632 -9.079 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -0.697 -25.097 -7.730 1.00 0.00 O ATOM 0 H GLU A 105 2.893 -23.755 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 105 0.394 -22.452 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.469 -22.766 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.028 -24.462 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.326 -22.783 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.953 -22.362 -7.925 1.00 0.00 H new ATOM 1569 N SER A 106 -1.109 -24.461 -4.857 1.00 0.00 N ATOM 1570 CA SER A 106 -2.050 -25.541 -4.616 1.00 0.00 C ATOM 1571 C SER A 106 -2.778 -25.901 -5.913 1.00 0.00 C ATOM 1572 O SER A 106 -3.149 -25.019 -6.686 1.00 0.00 O ATOM 1573 CB SER A 106 -3.059 -25.161 -3.530 1.00 0.00 C ATOM 1574 OG SER A 106 -2.664 -25.633 -2.245 1.00 0.00 O ATOM 0 H SER A 106 -1.503 -23.650 -5.334 1.00 0.00 H new ATOM 0 HA SER A 106 -1.491 -26.409 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.168 -24.077 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.036 -25.573 -3.783 1.00 0.00 H new ATOM 0 HG SER A 106 -3.333 -25.369 -1.580 1.00 0.00 H new ATOM 1580 N GLY A 107 -2.959 -27.198 -6.112 1.00 0.00 N ATOM 1581 CA GLY A 107 -3.635 -27.685 -7.302 1.00 0.00 C ATOM 1582 C GLY A 107 -2.809 -28.769 -7.998 1.00 0.00 C ATOM 1583 O GLY A 107 -1.584 -28.673 -8.066 1.00 0.00 O ATOM 0 H GLY A 107 -2.649 -27.927 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.612 -28.085 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.809 -26.858 -7.990 1.00 0.00 H new ATOM 1587 N PRO A 108 -3.530 -29.802 -8.510 1.00 0.00 N ATOM 1588 CA PRO A 108 -2.877 -30.902 -9.198 1.00 0.00 C ATOM 1589 C PRO A 108 -2.421 -30.482 -10.596 1.00 0.00 C ATOM 1590 O PRO A 108 -3.004 -29.581 -11.198 1.00 0.00 O ATOM 1591 CB PRO A 108 -3.907 -32.020 -9.220 1.00 0.00 C ATOM 1592 CG PRO A 108 -5.249 -31.354 -8.961 1.00 0.00 C ATOM 1593 CD PRO A 108 -4.981 -29.949 -8.448 1.00 0.00 C ATOM 0 HA PRO A 108 -1.965 -31.228 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.905 -32.534 -10.181 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.688 -32.768 -8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.841 -31.320 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.823 -31.924 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.481 -29.201 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.349 -29.822 -7.430 1.00 0.00 H new ATOM 1601 N SER A 109 -1.383 -31.154 -11.073 1.00 0.00 N ATOM 1602 CA SER A 109 -0.843 -30.861 -12.389 1.00 0.00 C ATOM 1603 C SER A 109 -1.688 -31.544 -13.466 1.00 0.00 C ATOM 1604 O SER A 109 -1.363 -32.645 -13.910 1.00 0.00 O ATOM 1605 CB SER A 109 0.617 -31.307 -12.497 1.00 0.00 C ATOM 1606 OG SER A 109 0.761 -32.712 -12.304 1.00 0.00 O ATOM 0 H SER A 109 -0.902 -31.900 -10.571 1.00 0.00 H new ATOM 0 HA SER A 109 -0.877 -29.782 -12.540 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.008 -31.034 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.214 -30.776 -11.756 1.00 0.00 H new ATOM 0 HG SER A 109 0.091 -33.186 -12.839 1.00 0.00 H new ATOM 1612 N SER A 110 -2.756 -30.864 -13.855 1.00 0.00 N ATOM 1613 CA SER A 110 -3.650 -31.392 -14.871 1.00 0.00 C ATOM 1614 C SER A 110 -2.868 -31.693 -16.151 1.00 0.00 C ATOM 1615 O SER A 110 -2.127 -30.844 -16.644 1.00 0.00 O ATOM 1616 CB SER A 110 -4.791 -30.415 -15.163 1.00 0.00 C ATOM 1617 OG SER A 110 -5.664 -30.264 -14.047 1.00 0.00 O ATOM 0 H SER A 110 -3.022 -29.952 -13.485 1.00 0.00 H new ATOM 0 HA SER A 110 -4.087 -32.317 -14.494 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.376 -29.444 -15.433 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.360 -30.769 -16.023 1.00 0.00 H new ATOM 0 HG SER A 110 -6.378 -29.631 -14.273 1.00 0.00 H new ATOM 1623 N GLY A 111 -3.061 -32.904 -16.653 1.00 0.00 N ATOM 1624 CA GLY A 111 -2.383 -33.327 -17.867 1.00 0.00 C ATOM 1625 C GLY A 111 -0.932 -32.841 -17.882 1.00 0.00 C ATOM 1626 O GLY A 111 -0.641 -31.762 -18.397 1.00 0.00 O ATOM 0 H GLY A 111 -3.677 -33.605 -16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.407 -34.414 -17.941 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.910 -32.936 -18.737 1.00 0.00 H new TER 1630 GLY A 111