USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 641 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 55 THR OG1 : rot 180:sc= -1.42 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -4.21 K(o=-5.6,f=-1.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 39:sc= 0.0404 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.47) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -14.3! C(o=-14!,f=-7.4!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 148:sc= -0.34 (180deg=-1.48!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 97:sc= 0.0269 USER MOD Single : A 36 GLN : amide:sc= -9.53! C(o=-9.5!,f=-6.1!) USER MOD Single : A 39 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= -0.744 K(o=-0.74,f=0.84) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -13:sc= -4! USER MOD Single : A 48 MET CE :methyl 172:sc= -3.34 (180deg=-3.4) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -147:sc= -0.413 (180deg=-1.71!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -1.08 K(o=-1.1,f=-6.1!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.615 1.417 2.181 1.00 0.00 N ATOM 2 CA GLY A 1 31.133 0.966 3.502 1.00 0.00 C ATOM 3 C GLY A 1 30.784 -0.480 3.800 1.00 0.00 C ATOM 4 O GLY A 1 29.734 -0.759 4.379 1.00 0.00 O ATOM 0 H1 GLY A 1 30.880 2.411 2.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.024 0.827 1.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.579 1.328 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.216 1.087 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.725 1.604 4.286 1.00 0.00 H new ATOM 10 N PRO A 2 31.652 -1.430 3.414 1.00 0.00 N ATOM 11 CA PRO A 2 31.417 -2.858 3.650 1.00 0.00 C ATOM 12 C PRO A 2 31.092 -3.158 5.110 1.00 0.00 C ATOM 13 O PRO A 2 31.883 -2.865 6.005 1.00 0.00 O ATOM 14 CB PRO A 2 32.745 -3.509 3.254 1.00 0.00 C ATOM 15 CG PRO A 2 33.354 -2.562 2.279 1.00 0.00 C ATOM 16 CD PRO A 2 32.929 -1.187 2.716 1.00 0.00 C ATOM 0 HA PRO A 2 30.561 -3.228 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 2 33.389 -3.653 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 2 32.587 -4.491 2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 2 34.440 -2.652 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.013 -2.772 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.666 -0.729 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 2 32.801 -0.517 1.866 1.00 0.00 H new ATOM 24 N LEU A 3 29.921 -3.743 5.341 1.00 0.00 N ATOM 25 CA LEU A 3 29.490 -4.081 6.692 1.00 0.00 C ATOM 26 C LEU A 3 29.949 -5.485 7.074 1.00 0.00 C ATOM 27 O LEU A 3 30.633 -6.157 6.303 1.00 0.00 O ATOM 28 CB LEU A 3 27.968 -3.982 6.804 1.00 0.00 C ATOM 29 CG LEU A 3 27.432 -2.587 7.132 1.00 0.00 C ATOM 30 CD1 LEU A 3 25.928 -2.528 6.915 1.00 0.00 C ATOM 31 CD2 LEU A 3 27.782 -2.205 8.562 1.00 0.00 C ATOM 0 H LEU A 3 29.254 -3.993 4.610 1.00 0.00 H new ATOM 0 HA LEU A 3 29.945 -3.369 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 3 27.528 -4.312 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 27.630 -4.675 7.574 1.00 0.00 H new ATOM 0 HG LEU A 3 27.903 -1.870 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.565 -1.528 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 3 25.701 -2.758 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 3 25.438 -3.256 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 3 27.393 -1.210 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 3 27.339 -2.925 9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 3 28.865 -2.206 8.684 1.00 0.00 H new ATOM 43 N GLY A 4 29.569 -5.921 8.271 1.00 0.00 N ATOM 44 CA GLY A 4 29.950 -7.241 8.735 1.00 0.00 C ATOM 45 C GLY A 4 29.231 -8.349 7.990 1.00 0.00 C ATOM 46 O GLY A 4 29.829 -9.372 7.658 1.00 0.00 O ATOM 0 H GLY A 4 29.004 -5.383 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.026 -7.367 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.734 -7.324 9.800 1.00 0.00 H new ATOM 50 N SER A 5 27.944 -8.147 7.729 1.00 0.00 N ATOM 51 CA SER A 5 27.144 -9.138 7.019 1.00 0.00 C ATOM 52 C SER A 5 27.495 -9.157 5.533 1.00 0.00 C ATOM 53 O SER A 5 27.491 -8.117 4.875 1.00 0.00 O ATOM 54 CB SER A 5 25.653 -8.841 7.200 1.00 0.00 C ATOM 55 OG SER A 5 25.387 -7.457 7.060 1.00 0.00 O ATOM 0 H SER A 5 27.433 -7.306 7.998 1.00 0.00 H new ATOM 0 HA SER A 5 27.367 -10.119 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.076 -9.401 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.329 -9.179 8.184 1.00 0.00 H new ATOM 0 HG SER A 5 25.940 -7.089 6.340 1.00 0.00 H new ATOM 61 N PRO A 6 27.805 -10.345 4.978 1.00 0.00 N ATOM 62 CA PRO A 6 28.159 -10.481 3.561 1.00 0.00 C ATOM 63 C PRO A 6 27.036 -10.019 2.636 1.00 0.00 C ATOM 64 O PRO A 6 27.121 -8.952 2.029 1.00 0.00 O ATOM 65 CB PRO A 6 28.418 -11.985 3.387 1.00 0.00 C ATOM 66 CG PRO A 6 27.773 -12.636 4.563 1.00 0.00 C ATOM 67 CD PRO A 6 27.838 -11.637 5.681 1.00 0.00 C ATOM 0 HA PRO A 6 29.017 -9.862 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 6 27.993 -12.351 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 6 29.486 -12.199 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.740 -12.906 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 6 28.292 -13.556 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 6 26.997 -11.744 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.747 -11.751 6.271 1.00 0.00 H new ATOM 75 N ILE A 7 25.987 -10.828 2.529 1.00 0.00 N ATOM 76 CA ILE A 7 24.852 -10.500 1.676 1.00 0.00 C ATOM 77 C ILE A 7 24.114 -9.269 2.190 1.00 0.00 C ATOM 78 O ILE A 7 23.867 -9.136 3.388 1.00 0.00 O ATOM 79 CB ILE A 7 23.862 -11.676 1.582 1.00 0.00 C ATOM 80 CG1 ILE A 7 24.604 -12.978 1.265 1.00 0.00 C ATOM 81 CG2 ILE A 7 22.801 -11.392 0.527 1.00 0.00 C ATOM 82 CD1 ILE A 7 24.398 -14.059 2.304 1.00 0.00 C ATOM 0 H ILE A 7 25.900 -11.716 3.023 1.00 0.00 H new ATOM 0 HA ILE A 7 25.253 -10.291 0.684 1.00 0.00 H new ATOM 0 HB ILE A 7 23.367 -11.791 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.272 -13.349 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 7 25.670 -12.767 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.109 -12.232 0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.254 -10.488 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.280 -11.252 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 7 24.952 -14.952 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.756 -13.707 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 7 23.337 -14.298 2.375 1.00 0.00 H new ATOM 94 N GLY A 8 23.764 -8.371 1.275 1.00 0.00 N ATOM 95 CA GLY A 8 23.056 -7.162 1.654 1.00 0.00 C ATOM 96 C GLY A 8 23.986 -5.981 1.848 1.00 0.00 C ATOM 97 O GLY A 8 23.633 -4.845 1.531 1.00 0.00 O ATOM 0 H GLY A 8 23.958 -8.459 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.321 -6.919 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.505 -7.342 2.577 1.00 0.00 H new ATOM 101 N ALA A 9 25.179 -6.248 2.372 1.00 0.00 N ATOM 102 CA ALA A 9 26.161 -5.198 2.609 1.00 0.00 C ATOM 103 C ALA A 9 26.718 -4.659 1.295 1.00 0.00 C ATOM 104 O ALA A 9 27.017 -3.471 1.177 1.00 0.00 O ATOM 105 CB ALA A 9 27.289 -5.720 3.486 1.00 0.00 C ATOM 0 H ALA A 9 25.488 -7.183 2.640 1.00 0.00 H new ATOM 0 HA ALA A 9 25.662 -4.378 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 9 28.016 -4.925 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 9 26.883 -6.050 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 9 27.777 -6.559 2.990 1.00 0.00 H new ATOM 111 N LEU A 10 26.855 -5.540 0.310 1.00 0.00 N ATOM 112 CA LEU A 10 27.376 -5.153 -0.996 1.00 0.00 C ATOM 113 C LEU A 10 26.408 -4.219 -1.714 1.00 0.00 C ATOM 114 O LEU A 10 26.819 -3.227 -2.316 1.00 0.00 O ATOM 115 CB LEU A 10 27.636 -6.393 -1.854 1.00 0.00 C ATOM 116 CG LEU A 10 28.637 -6.193 -2.993 1.00 0.00 C ATOM 117 CD1 LEU A 10 30.050 -6.502 -2.521 1.00 0.00 C ATOM 118 CD2 LEU A 10 28.269 -7.066 -4.184 1.00 0.00 C ATOM 0 H LEU A 10 26.612 -6.527 0.391 1.00 0.00 H new ATOM 0 HA LEU A 10 28.316 -4.623 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 10 27.998 -7.193 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 10 26.689 -6.728 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 10 28.600 -5.150 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 10 30.749 -6.354 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 10 30.312 -5.837 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 10 30.102 -7.537 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 10 28.991 -6.911 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 10 28.279 -8.114 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 27.273 -6.799 -4.537 1.00 0.00 H new ATOM 130 N ALA A 11 25.120 -4.541 -1.646 1.00 0.00 N ATOM 131 CA ALA A 11 24.095 -3.730 -2.290 1.00 0.00 C ATOM 132 C ALA A 11 23.007 -3.329 -1.300 1.00 0.00 C ATOM 133 O ALA A 11 22.479 -4.168 -0.569 1.00 0.00 O ATOM 134 CB ALA A 11 23.490 -4.482 -3.467 1.00 0.00 C ATOM 0 H ALA A 11 24.762 -5.358 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 11 24.567 -2.819 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 11 22.726 -3.865 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.271 -4.711 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.040 -5.410 -3.113 1.00 0.00 H new ATOM 140 N SER A 12 22.677 -2.042 -1.280 1.00 0.00 N ATOM 141 CA SER A 12 21.651 -1.529 -0.380 1.00 0.00 C ATOM 142 C SER A 12 20.273 -2.052 -0.771 1.00 0.00 C ATOM 143 O SER A 12 19.423 -2.294 0.086 1.00 0.00 O ATOM 144 CB SER A 12 21.652 0.001 -0.391 1.00 0.00 C ATOM 145 OG SER A 12 22.521 0.519 0.601 1.00 0.00 O ATOM 0 H SER A 12 23.106 -1.335 -1.877 1.00 0.00 H new ATOM 0 HA SER A 12 21.879 -1.878 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.961 0.360 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.640 0.369 -0.221 1.00 0.00 H new ATOM 0 HG SER A 12 22.504 1.498 0.571 1.00 0.00 H new ATOM 151 N ALA A 13 20.058 -2.223 -2.072 1.00 0.00 N ATOM 152 CA ALA A 13 18.783 -2.715 -2.577 1.00 0.00 C ATOM 153 C ALA A 13 18.491 -4.116 -2.051 1.00 0.00 C ATOM 154 O ALA A 13 17.345 -4.450 -1.747 1.00 0.00 O ATOM 155 CB ALA A 13 18.782 -2.712 -4.098 1.00 0.00 C ATOM 0 H ALA A 13 20.751 -2.028 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 13 17.997 -2.048 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 17.823 -3.082 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.940 -1.696 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 13 19.582 -3.356 -4.464 1.00 0.00 H new ATOM 161 N LEU A 14 19.535 -4.931 -1.944 1.00 0.00 N ATOM 162 CA LEU A 14 19.394 -6.297 -1.452 1.00 0.00 C ATOM 163 C LEU A 14 19.325 -6.326 0.071 1.00 0.00 C ATOM 164 O LEU A 14 18.703 -7.213 0.656 1.00 0.00 O ATOM 165 CB LEU A 14 20.564 -7.153 -1.936 1.00 0.00 C ATOM 166 CG LEU A 14 20.494 -7.573 -3.406 1.00 0.00 C ATOM 167 CD1 LEU A 14 21.884 -7.591 -4.023 1.00 0.00 C ATOM 168 CD2 LEU A 14 19.833 -8.937 -3.537 1.00 0.00 C ATOM 0 H LEU A 14 20.489 -4.669 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 14 18.463 -6.704 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.490 -6.600 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.617 -8.050 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 14 19.890 -6.844 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.814 -7.892 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.323 -6.595 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.513 -8.299 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.791 -9.221 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.412 -9.677 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.822 -8.892 -3.133 1.00 0.00 H new ATOM 180 N ALA A 15 19.968 -5.353 0.708 1.00 0.00 N ATOM 181 CA ALA A 15 19.979 -5.270 2.163 1.00 0.00 C ATOM 182 C ALA A 15 18.563 -5.152 2.719 1.00 0.00 C ATOM 183 O ALA A 15 18.317 -5.462 3.885 1.00 0.00 O ATOM 184 CB ALA A 15 20.827 -4.091 2.616 1.00 0.00 C ATOM 0 H ALA A 15 20.488 -4.611 0.239 1.00 0.00 H new ATOM 0 HA ALA A 15 20.416 -6.190 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.827 -4.040 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 15 21.849 -4.219 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 15 20.414 -3.168 2.210 1.00 0.00 H new ATOM 190 N ASN A 16 17.635 -4.705 1.879 1.00 0.00 N ATOM 191 CA ASN A 16 16.245 -4.549 2.289 1.00 0.00 C ATOM 192 C ASN A 16 15.317 -5.330 1.361 1.00 0.00 C ATOM 193 O ASN A 16 15.768 -6.167 0.580 1.00 0.00 O ATOM 194 CB ASN A 16 15.857 -3.067 2.306 1.00 0.00 C ATOM 195 CG ASN A 16 15.717 -2.478 0.915 1.00 0.00 C ATOM 196 OD1 ASN A 16 14.612 -2.167 0.469 1.00 0.00 O ATOM 197 ND2 ASN A 16 16.838 -2.321 0.220 1.00 0.00 N ATOM 0 H ASN A 16 17.821 -4.445 0.910 1.00 0.00 H new ATOM 0 HA ASN A 16 16.139 -4.950 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.915 -2.949 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.610 -2.506 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.804 -1.929 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.733 -2.592 0.628 1.00 0.00 H new ATOM 204 N SER A 17 14.020 -5.053 1.454 1.00 0.00 N ATOM 205 CA SER A 17 13.034 -5.732 0.620 1.00 0.00 C ATOM 206 C SER A 17 12.426 -4.769 -0.399 1.00 0.00 C ATOM 207 O SER A 17 12.031 -3.655 -0.049 1.00 0.00 O ATOM 208 CB SER A 17 11.930 -6.335 1.492 1.00 0.00 C ATOM 209 OG SER A 17 12.354 -6.461 2.838 1.00 0.00 O ATOM 0 H SER A 17 13.628 -4.365 2.097 1.00 0.00 H new ATOM 0 HA SER A 17 13.539 -6.532 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.041 -5.706 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.649 -7.314 1.103 1.00 0.00 H new ATOM 0 HG SER A 17 11.630 -6.847 3.374 1.00 0.00 H new ATOM 215 N PRO A 18 12.337 -5.182 -1.677 1.00 0.00 N ATOM 216 CA PRO A 18 11.770 -4.343 -2.737 1.00 0.00 C ATOM 217 C PRO A 18 10.382 -3.820 -2.376 1.00 0.00 C ATOM 218 O PRO A 18 9.722 -4.357 -1.487 1.00 0.00 O ATOM 219 CB PRO A 18 11.688 -5.289 -3.938 1.00 0.00 C ATOM 220 CG PRO A 18 12.729 -6.321 -3.680 1.00 0.00 C ATOM 221 CD PRO A 18 12.779 -6.495 -2.187 1.00 0.00 C ATOM 0 HA PRO A 18 12.374 -3.454 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.698 -5.738 -4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.878 -4.760 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.479 -7.260 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.697 -6.005 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.122 -7.298 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.784 -6.742 -1.844 1.00 0.00 H new ATOM 229 N PRO A 19 9.918 -2.762 -3.063 1.00 0.00 N ATOM 230 CA PRO A 19 8.600 -2.173 -2.803 1.00 0.00 C ATOM 231 C PRO A 19 7.468 -3.167 -3.038 1.00 0.00 C ATOM 232 O PRO A 19 6.484 -3.186 -2.299 1.00 0.00 O ATOM 233 CB PRO A 19 8.514 -1.014 -3.803 1.00 0.00 C ATOM 234 CG PRO A 19 9.536 -1.318 -4.845 1.00 0.00 C ATOM 235 CD PRO A 19 10.634 -2.059 -4.139 1.00 0.00 C ATOM 0 HA PRO A 19 8.494 -1.859 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.517 -0.943 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.719 -0.060 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.110 -1.922 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.913 -0.403 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.145 -2.754 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.390 -1.381 -3.745 1.00 0.00 H new ATOM 243 N GLU A 20 7.617 -3.996 -4.067 1.00 0.00 N ATOM 244 CA GLU A 20 6.610 -5.000 -4.393 1.00 0.00 C ATOM 245 C GLU A 20 6.566 -6.088 -3.324 1.00 0.00 C ATOM 246 O GLU A 20 5.489 -6.574 -2.950 1.00 0.00 O ATOM 247 CB GLU A 20 6.904 -5.623 -5.758 1.00 0.00 C ATOM 248 CG GLU A 20 8.312 -6.182 -5.883 1.00 0.00 C ATOM 249 CD GLU A 20 8.509 -6.991 -7.150 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.634 -7.826 -7.462 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.536 -6.789 -7.830 1.00 0.00 O ATOM 0 H GLU A 20 8.425 -3.992 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 20 5.638 -4.508 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.187 -6.423 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.751 -4.871 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.028 -5.360 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.528 -6.810 -5.018 1.00 0.00 H new ATOM 258 N THR A 21 7.744 -6.461 -2.829 1.00 0.00 N ATOM 259 CA THR A 21 7.844 -7.490 -1.804 1.00 0.00 C ATOM 260 C THR A 21 7.143 -7.028 -0.543 1.00 0.00 C ATOM 261 O THR A 21 6.321 -7.748 0.024 1.00 0.00 O ATOM 262 CB THR A 21 9.310 -7.814 -1.508 1.00 0.00 C ATOM 263 OG1 THR A 21 9.936 -8.385 -2.642 1.00 0.00 O ATOM 264 CG2 THR A 21 9.489 -8.773 -0.351 1.00 0.00 C ATOM 0 H THR A 21 8.638 -6.066 -3.121 1.00 0.00 H new ATOM 0 HA THR A 21 7.361 -8.396 -2.169 1.00 0.00 H new ATOM 0 HB THR A 21 9.769 -6.862 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.645 -8.996 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.551 -8.960 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.060 -8.338 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.984 -9.713 -0.576 1.00 0.00 H new ATOM 272 N GLN A 22 7.431 -5.805 -0.140 1.00 0.00 N ATOM 273 CA GLN A 22 6.777 -5.235 1.023 1.00 0.00 C ATOM 274 C GLN A 22 5.329 -5.003 0.689 1.00 0.00 C ATOM 275 O GLN A 22 4.441 -5.301 1.481 1.00 0.00 O ATOM 276 CB GLN A 22 7.394 -3.897 1.445 1.00 0.00 C ATOM 277 CG GLN A 22 6.483 -3.080 2.369 1.00 0.00 C ATOM 278 CD GLN A 22 5.390 -2.315 1.621 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.674 -1.334 0.934 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.125 -2.757 1.748 1.00 0.00 N ATOM 0 H GLN A 22 8.107 -5.192 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 22 6.898 -5.936 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.341 -4.084 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.619 -3.310 0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.018 -3.749 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.090 -2.372 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.926 -3.574 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.366 -2.275 1.266 1.00 0.00 H new ATOM 289 N ARG A 23 5.115 -4.425 -0.493 1.00 0.00 N ATOM 290 CA ARG A 23 3.792 -4.087 -0.970 1.00 0.00 C ATOM 291 C ARG A 23 2.725 -4.904 -0.263 1.00 0.00 C ATOM 292 O ARG A 23 2.206 -4.495 0.768 1.00 0.00 O ATOM 293 CB ARG A 23 3.697 -4.262 -2.486 1.00 0.00 C ATOM 294 CG ARG A 23 2.326 -3.926 -3.035 1.00 0.00 C ATOM 295 CD ARG A 23 1.787 -5.033 -3.928 1.00 0.00 C ATOM 296 NE ARG A 23 1.217 -4.508 -5.167 1.00 0.00 N ATOM 297 CZ ARG A 23 1.008 -5.242 -6.257 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.319 -6.533 -6.266 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.486 -4.685 -7.341 1.00 0.00 N ATOM 0 H ARG A 23 5.863 -4.181 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 23 3.614 -3.037 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.441 -3.627 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.943 -5.292 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.635 -3.757 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.379 -2.996 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.590 -5.731 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.025 -5.596 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 23 0.964 -3.520 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.720 -6.967 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.157 -7.091 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.245 -3.694 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.326 -5.248 -8.177 1.00 0.00 H new ATOM 313 N MET A 24 2.415 -6.066 -0.795 1.00 0.00 N ATOM 314 CA MET A 24 1.410 -6.908 -0.176 1.00 0.00 C ATOM 315 C MET A 24 1.781 -7.241 1.270 1.00 0.00 C ATOM 316 O MET A 24 0.905 -7.375 2.121 1.00 0.00 O ATOM 317 CB MET A 24 1.205 -8.191 -0.984 1.00 0.00 C ATOM 318 CG MET A 24 -0.047 -8.960 -0.596 1.00 0.00 C ATOM 319 SD MET A 24 -0.123 -10.592 -1.357 1.00 0.00 S ATOM 320 CE MET A 24 -1.529 -10.392 -2.448 1.00 0.00 C ATOM 0 H MET A 24 2.836 -6.447 -1.642 1.00 0.00 H new ATOM 0 HA MET A 24 0.473 -6.352 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.153 -7.939 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.073 -8.836 -0.852 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.082 -9.067 0.488 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.926 -8.386 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.703 -11.321 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.413 -10.144 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.328 -9.589 -3.158 1.00 0.00 H new ATOM 330 N MET A 25 3.075 -7.404 1.540 1.00 0.00 N ATOM 331 CA MET A 25 3.531 -7.753 2.884 1.00 0.00 C ATOM 332 C MET A 25 3.066 -6.738 3.935 1.00 0.00 C ATOM 333 O MET A 25 2.473 -7.126 4.941 1.00 0.00 O ATOM 334 CB MET A 25 5.056 -7.864 2.908 1.00 0.00 C ATOM 335 CG MET A 25 5.564 -9.292 2.787 1.00 0.00 C ATOM 336 SD MET A 25 5.398 -10.220 4.324 1.00 0.00 S ATOM 337 CE MET A 25 3.925 -11.180 3.983 1.00 0.00 C ATOM 0 H MET A 25 3.821 -7.301 0.852 1.00 0.00 H new ATOM 0 HA MET A 25 3.087 -8.716 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.468 -7.270 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.429 -7.432 3.837 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.014 -9.804 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.612 -9.277 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.990 -12.140 4.495 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.048 -10.639 4.337 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.840 -11.346 2.909 1.00 0.00 H new ATOM 347 N LEU A 26 3.302 -5.441 3.708 1.00 0.00 N ATOM 348 CA LEU A 26 2.847 -4.437 4.671 1.00 0.00 C ATOM 349 C LEU A 26 1.332 -4.378 4.641 1.00 0.00 C ATOM 350 O LEU A 26 0.686 -4.456 5.678 1.00 0.00 O ATOM 351 CB LEU A 26 3.449 -3.057 4.403 1.00 0.00 C ATOM 352 CG LEU A 26 3.540 -2.142 5.625 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.497 -2.722 6.655 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.980 -0.745 5.212 1.00 0.00 C ATOM 0 H LEU A 26 3.790 -5.071 2.892 1.00 0.00 H new ATOM 0 HA LEU A 26 3.189 -4.734 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.450 -3.188 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.852 -2.559 3.639 1.00 0.00 H new ATOM 0 HG LEU A 26 2.551 -2.071 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.549 -2.058 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.140 -3.702 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.489 -2.823 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.040 -0.107 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.959 -0.798 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.257 -0.328 4.511 1.00 0.00 H new ATOM 366 N GLY A 27 0.758 -4.287 3.436 1.00 0.00 N ATOM 367 CA GLY A 27 -0.662 -4.272 3.304 1.00 0.00 C ATOM 368 C GLY A 27 -1.260 -5.490 3.967 1.00 0.00 C ATOM 369 O GLY A 27 -2.362 -5.440 4.480 1.00 0.00 O ATOM 0 H GLY A 27 1.271 -4.224 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.067 -3.367 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.936 -4.251 2.249 1.00 0.00 H new ATOM 373 N GLU A 28 -0.532 -6.584 4.013 1.00 0.00 N ATOM 374 CA GLU A 28 -1.059 -7.761 4.677 1.00 0.00 C ATOM 375 C GLU A 28 -1.434 -7.401 6.115 1.00 0.00 C ATOM 376 O GLU A 28 -2.529 -7.716 6.586 1.00 0.00 O ATOM 377 CB GLU A 28 -0.029 -8.895 4.660 1.00 0.00 C ATOM 378 CG GLU A 28 -0.466 -10.099 3.841 1.00 0.00 C ATOM 379 CD GLU A 28 -1.088 -11.189 4.692 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.199 -10.970 5.219 1.00 0.00 O ATOM 381 OE2 GLU A 28 -0.464 -12.262 4.831 1.00 0.00 O ATOM 0 H GLU A 28 0.400 -6.686 3.612 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.947 -8.106 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.911 -8.515 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.166 -9.214 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.184 -9.779 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.395 -10.505 3.310 1.00 0.00 H new ATOM 388 N ASN A 29 -0.526 -6.703 6.796 1.00 0.00 N ATOM 389 CA ASN A 29 -0.765 -6.290 8.180 1.00 0.00 C ATOM 390 C ASN A 29 -1.332 -4.875 8.262 1.00 0.00 C ATOM 391 O ASN A 29 -2.312 -4.619 8.971 1.00 0.00 O ATOM 392 CB ASN A 29 0.533 -6.372 8.984 1.00 0.00 C ATOM 393 CG ASN A 29 0.745 -7.742 9.599 1.00 0.00 C ATOM 394 OD1 ASN A 29 0.592 -7.923 10.808 1.00 0.00 O ATOM 395 ND2 ASN A 29 1.098 -8.716 8.769 1.00 0.00 N ATOM 0 H ASN A 29 0.375 -6.413 6.417 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.504 -6.972 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.375 -6.134 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.517 -5.621 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.254 -9.659 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.214 -8.522 7.774 1.00 0.00 H new ATOM 402 N LEU A 30 -0.715 -3.954 7.543 1.00 0.00 N ATOM 403 CA LEU A 30 -1.158 -2.574 7.550 1.00 0.00 C ATOM 404 C LEU A 30 -2.376 -2.355 6.644 1.00 0.00 C ATOM 405 O LEU A 30 -3.210 -1.518 6.952 1.00 0.00 O ATOM 406 CB LEU A 30 -0.005 -1.643 7.172 1.00 0.00 C ATOM 407 CG LEU A 30 0.697 -0.959 8.350 1.00 0.00 C ATOM 408 CD1 LEU A 30 0.925 -1.943 9.489 1.00 0.00 C ATOM 409 CD2 LEU A 30 2.017 -0.353 7.900 1.00 0.00 C ATOM 0 H LEU A 30 0.093 -4.138 6.948 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.477 -2.333 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.735 -2.216 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.386 -0.873 6.501 1.00 0.00 H new ATOM 0 HG LEU A 30 0.052 -0.159 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.425 -1.435 10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.034 -2.333 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.548 -2.766 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.504 0.129 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.664 -1.139 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.831 0.386 7.120 1.00 0.00 H new ATOM 421 N TYR A 31 -2.512 -3.118 5.547 1.00 0.00 N ATOM 422 CA TYR A 31 -3.686 -2.962 4.678 1.00 0.00 C ATOM 423 C TYR A 31 -4.928 -3.151 5.518 1.00 0.00 C ATOM 424 O TYR A 31 -5.829 -2.330 5.485 1.00 0.00 O ATOM 425 CB TYR A 31 -3.687 -3.931 3.473 1.00 0.00 C ATOM 426 CG TYR A 31 -5.042 -4.527 3.100 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.628 -5.527 3.874 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.728 -4.099 1.972 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.850 -6.073 3.536 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.954 -4.642 1.631 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.509 -5.627 2.416 1.00 0.00 C ATOM 432 OH TYR A 31 -8.727 -6.168 2.077 1.00 0.00 O ATOM 0 H TYR A 31 -1.844 -3.829 5.248 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.659 -1.961 4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.293 -3.402 2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.999 -4.748 3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.116 -5.882 4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.297 -3.329 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.286 -6.848 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.474 -4.294 0.751 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.445 -5.588 2.406 1.00 0.00 H new ATOM 442 N PRO A 32 -4.991 -4.199 6.343 1.00 0.00 N ATOM 443 CA PRO A 32 -6.145 -4.376 7.190 1.00 0.00 C ATOM 444 C PRO A 32 -6.353 -3.136 8.043 1.00 0.00 C ATOM 445 O PRO A 32 -7.487 -2.768 8.350 1.00 0.00 O ATOM 446 CB PRO A 32 -5.788 -5.576 8.074 1.00 0.00 C ATOM 447 CG PRO A 32 -4.685 -6.277 7.362 1.00 0.00 C ATOM 448 CD PRO A 32 -3.970 -5.231 6.552 1.00 0.00 C ATOM 0 HA PRO A 32 -7.063 -4.536 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.472 -5.253 9.066 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.647 -6.233 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.006 -6.751 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.077 -7.065 6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.104 -4.836 7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.608 -5.634 5.606 1.00 0.00 H new ATOM 456 N LEU A 33 -5.249 -2.470 8.407 1.00 0.00 N ATOM 457 CA LEU A 33 -5.355 -1.258 9.196 1.00 0.00 C ATOM 458 C LEU A 33 -5.673 -0.073 8.315 1.00 0.00 C ATOM 459 O LEU A 33 -6.591 0.703 8.580 1.00 0.00 O ATOM 460 CB LEU A 33 -4.055 -1.005 9.962 1.00 0.00 C ATOM 461 CG LEU A 33 -4.169 -0.014 11.122 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.078 -0.566 12.207 1.00 0.00 C ATOM 463 CD2 LEU A 33 -2.792 0.303 11.687 1.00 0.00 C ATOM 0 H LEU A 33 -4.297 -2.750 8.169 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.167 -1.388 9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.689 -1.955 10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.305 -0.637 9.262 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.608 0.910 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.147 0.152 13.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.071 -0.743 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.669 -1.504 12.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.891 1.009 12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.327 -0.614 12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.170 0.741 10.906 1.00 0.00 H new ATOM 475 N VAL A 34 -4.883 0.049 7.253 1.00 0.00 N ATOM 476 CA VAL A 34 -5.044 1.123 6.311 1.00 0.00 C ATOM 477 C VAL A 34 -6.180 0.883 5.362 1.00 0.00 C ATOM 478 O VAL A 34 -7.041 1.744 5.202 1.00 0.00 O ATOM 479 CB VAL A 34 -3.751 1.431 5.584 1.00 0.00 C ATOM 480 CG1 VAL A 34 -3.863 2.816 4.982 1.00 0.00 C ATOM 481 CG2 VAL A 34 -2.586 1.353 6.568 1.00 0.00 C ATOM 0 H VAL A 34 -4.123 -0.594 7.032 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.306 2.010 6.888 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.571 0.708 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.941 3.058 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.700 2.843 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.029 3.545 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.654 1.574 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.736 2.079 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.535 0.350 6.993 1.00 0.00 H new ATOM 491 N ASP A 35 -6.211 -0.298 4.751 1.00 0.00 N ATOM 492 CA ASP A 35 -7.296 -0.619 3.852 1.00 0.00 C ATOM 493 C ASP A 35 -8.646 -0.229 4.482 1.00 0.00 C ATOM 494 O ASP A 35 -9.231 -0.977 5.263 1.00 0.00 O ATOM 495 CB ASP A 35 -7.250 -2.096 3.440 1.00 0.00 C ATOM 496 CG ASP A 35 -8.208 -2.997 4.207 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.089 -3.075 5.448 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.075 -3.624 3.566 1.00 0.00 O ATOM 0 H ASP A 35 -5.509 -1.030 4.863 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.181 -0.035 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.475 -2.170 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.234 -2.467 3.578 1.00 0.00 H new ATOM 503 N GLN A 36 -9.109 0.978 4.167 1.00 0.00 N ATOM 504 CA GLN A 36 -10.359 1.496 4.730 1.00 0.00 C ATOM 505 C GLN A 36 -11.561 1.201 3.839 1.00 0.00 C ATOM 506 O GLN A 36 -12.569 1.906 3.892 1.00 0.00 O ATOM 507 CB GLN A 36 -10.267 3.008 4.994 1.00 0.00 C ATOM 508 CG GLN A 36 -9.263 3.746 4.119 1.00 0.00 C ATOM 509 CD GLN A 36 -9.557 3.605 2.639 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.702 3.732 2.209 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.518 3.349 1.847 1.00 0.00 N ATOM 0 H GLN A 36 -8.640 1.617 3.526 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.507 0.977 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.252 3.450 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.002 3.165 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.264 4.803 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.262 3.366 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.584 3.251 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.656 3.251 0.841 1.00 0.00 H new ATOM 520 N LEU A 37 -11.461 0.154 3.035 1.00 0.00 N ATOM 521 CA LEU A 37 -12.558 -0.230 2.152 1.00 0.00 C ATOM 522 C LEU A 37 -12.840 -1.726 2.250 1.00 0.00 C ATOM 523 O LEU A 37 -12.136 -2.455 2.949 1.00 0.00 O ATOM 524 CB LEU A 37 -12.246 0.148 0.705 1.00 0.00 C ATOM 525 CG LEU A 37 -12.212 1.649 0.424 1.00 0.00 C ATOM 526 CD1 LEU A 37 -11.211 1.961 -0.678 1.00 0.00 C ATOM 527 CD2 LEU A 37 -13.597 2.152 0.048 1.00 0.00 C ATOM 0 H LEU A 37 -10.637 -0.444 2.973 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.447 0.312 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.281 -0.279 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.992 -0.311 0.056 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.895 2.164 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.199 3.035 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.217 1.636 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.498 1.436 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.554 3.223 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.943 1.632 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.289 1.961 0.869 1.00 0.00 H new ATOM 539 N GLU A 38 -13.870 -2.175 1.545 1.00 0.00 N ATOM 540 CA GLU A 38 -14.243 -3.584 1.552 1.00 0.00 C ATOM 541 C GLU A 38 -13.409 -4.367 0.544 1.00 0.00 C ATOM 542 O GLU A 38 -13.127 -3.879 -0.549 1.00 0.00 O ATOM 543 CB GLU A 38 -15.731 -3.742 1.235 1.00 0.00 C ATOM 544 CG GLU A 38 -16.645 -3.178 2.310 1.00 0.00 C ATOM 545 CD GLU A 38 -17.996 -2.758 1.765 1.00 0.00 C ATOM 546 OE1 GLU A 38 -18.050 -1.763 1.014 1.00 0.00 O ATOM 547 OE2 GLU A 38 -19.000 -3.426 2.091 1.00 0.00 O ATOM 0 H GLU A 38 -14.462 -1.584 0.961 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.049 -3.983 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.947 -3.246 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.954 -4.800 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.788 -3.927 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.163 -2.319 2.778 1.00 0.00 H new ATOM 554 N HIS A 39 -13.015 -5.582 0.930 1.00 0.00 N ATOM 555 CA HIS A 39 -12.204 -6.459 0.080 1.00 0.00 C ATOM 556 C HIS A 39 -12.603 -6.358 -1.393 1.00 0.00 C ATOM 557 O HIS A 39 -13.447 -7.113 -1.876 1.00 0.00 O ATOM 558 CB HIS A 39 -12.329 -7.909 0.552 1.00 0.00 C ATOM 559 CG HIS A 39 -13.739 -8.411 0.579 1.00 0.00 C ATOM 560 ND1 HIS A 39 -14.093 -9.684 0.187 1.00 0.00 N ATOM 561 CD2 HIS A 39 -14.889 -7.803 0.957 1.00 0.00 C ATOM 562 CE1 HIS A 39 -15.398 -9.841 0.321 1.00 0.00 C ATOM 563 NE2 HIS A 39 -15.904 -8.714 0.787 1.00 0.00 N ATOM 0 H HIS A 39 -13.248 -5.986 1.837 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.168 -6.131 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.737 -8.548 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.902 -7.995 1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -14.989 -6.792 1.323 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -15.955 -10.737 0.089 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.890 -8.546 0.988 1.00 0.00 H new ATOM 571 N ASP A 40 -11.985 -5.412 -2.090 1.00 0.00 N ATOM 572 CA ASP A 40 -12.251 -5.177 -3.502 1.00 0.00 C ATOM 573 C ASP A 40 -11.414 -3.999 -3.985 1.00 0.00 C ATOM 574 O ASP A 40 -10.582 -4.133 -4.882 1.00 0.00 O ATOM 575 CB ASP A 40 -13.735 -4.887 -3.714 1.00 0.00 C ATOM 576 CG ASP A 40 -14.501 -6.104 -4.191 1.00 0.00 C ATOM 577 OD1 ASP A 40 -13.914 -6.925 -4.926 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.690 -6.238 -3.830 1.00 0.00 O ATOM 0 H ASP A 40 -11.285 -4.786 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.985 -6.067 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.170 -4.531 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.845 -4.084 -4.443 1.00 0.00 H new ATOM 583 N GLN A 41 -11.633 -2.850 -3.357 1.00 0.00 N ATOM 584 CA GLN A 41 -10.896 -1.638 -3.680 1.00 0.00 C ATOM 585 C GLN A 41 -9.928 -1.295 -2.549 1.00 0.00 C ATOM 586 O GLN A 41 -8.953 -0.569 -2.747 1.00 0.00 O ATOM 587 CB GLN A 41 -11.861 -0.474 -3.915 1.00 0.00 C ATOM 588 CG GLN A 41 -12.819 -0.237 -2.758 1.00 0.00 C ATOM 589 CD GLN A 41 -14.264 -0.505 -3.132 1.00 0.00 C ATOM 590 OE1 GLN A 41 -14.918 0.326 -3.762 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.770 -1.670 -2.744 1.00 0.00 N ATOM 0 H GLN A 41 -12.322 -2.734 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.327 -1.810 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.285 0.435 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.437 -0.667 -4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.539 -0.878 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.721 0.793 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.191 -2.329 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.737 -1.905 -2.967 1.00 0.00 H new ATOM 600 N ALA A 42 -10.209 -1.830 -1.361 1.00 0.00 N ATOM 601 CA ALA A 42 -9.374 -1.599 -0.188 1.00 0.00 C ATOM 602 C ALA A 42 -7.938 -2.028 -0.444 1.00 0.00 C ATOM 603 O ALA A 42 -6.992 -1.326 -0.086 1.00 0.00 O ATOM 604 CB ALA A 42 -9.940 -2.361 1.001 1.00 0.00 C ATOM 0 H ALA A 42 -11.015 -2.430 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.374 -0.531 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.314 -2.187 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.954 -2.016 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.958 -3.427 0.775 1.00 0.00 H new ATOM 610 N ALA A 43 -7.786 -3.190 -1.061 1.00 0.00 N ATOM 611 CA ALA A 43 -6.470 -3.727 -1.365 1.00 0.00 C ATOM 612 C ALA A 43 -5.832 -2.972 -2.516 1.00 0.00 C ATOM 613 O ALA A 43 -4.611 -2.832 -2.581 1.00 0.00 O ATOM 614 CB ALA A 43 -6.565 -5.209 -1.691 1.00 0.00 C ATOM 0 H ALA A 43 -8.561 -3.780 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.839 -3.603 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.571 -5.596 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.978 -5.744 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.214 -5.351 -2.555 1.00 0.00 H new ATOM 620 N LYS A 44 -6.665 -2.501 -3.434 1.00 0.00 N ATOM 621 CA LYS A 44 -6.173 -1.780 -4.591 1.00 0.00 C ATOM 622 C LYS A 44 -5.626 -0.404 -4.222 1.00 0.00 C ATOM 623 O LYS A 44 -4.536 -0.048 -4.634 1.00 0.00 O ATOM 624 CB LYS A 44 -7.285 -1.631 -5.630 1.00 0.00 C ATOM 625 CG LYS A 44 -7.535 -2.893 -6.439 1.00 0.00 C ATOM 626 CD LYS A 44 -6.477 -3.083 -7.515 1.00 0.00 C ATOM 627 CE LYS A 44 -6.974 -2.616 -8.873 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.545 -3.736 -9.670 1.00 0.00 N ATOM 0 H LYS A 44 -7.679 -2.606 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.352 -2.362 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.207 -1.345 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.029 -0.818 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.540 -3.757 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.521 -2.841 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.578 -2.529 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.198 -4.135 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.732 -1.844 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.151 -2.161 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.873 -3.376 -10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.815 -4.461 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.347 -4.154 -9.156 1.00 0.00 H new ATOM 642 N VAL A 45 -6.380 0.387 -3.470 1.00 0.00 N ATOM 643 CA VAL A 45 -5.904 1.726 -3.117 1.00 0.00 C ATOM 644 C VAL A 45 -4.765 1.725 -2.095 1.00 0.00 C ATOM 645 O VAL A 45 -3.726 2.349 -2.316 1.00 0.00 O ATOM 646 CB VAL A 45 -7.039 2.594 -2.547 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.884 3.155 -3.669 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.896 1.812 -1.556 1.00 0.00 C ATOM 0 H VAL A 45 -7.298 0.139 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.530 2.138 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.589 3.424 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.683 3.767 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.262 3.767 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.317 2.336 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.688 2.455 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.338 0.951 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.275 1.470 -0.728 1.00 0.00 H new ATOM 658 N THR A 46 -4.967 1.047 -0.967 1.00 0.00 N ATOM 659 CA THR A 46 -3.955 1.012 0.085 1.00 0.00 C ATOM 660 C THR A 46 -2.730 0.188 -0.289 1.00 0.00 C ATOM 661 O THR A 46 -1.593 0.634 -0.141 1.00 0.00 O ATOM 662 CB THR A 46 -4.589 0.465 1.384 1.00 0.00 C ATOM 663 OG1 THR A 46 -4.149 1.194 2.509 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.309 -1.004 1.665 1.00 0.00 C ATOM 0 H THR A 46 -5.815 0.519 -0.759 1.00 0.00 H new ATOM 0 HA THR A 46 -3.604 2.034 0.232 1.00 0.00 H new ATOM 0 HB THR A 46 -5.660 0.577 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.382 1.751 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.795 -1.295 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.698 -1.611 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.234 -1.159 1.753 1.00 0.00 H new ATOM 672 N GLY A 47 -2.983 -1.034 -0.723 1.00 0.00 N ATOM 673 CA GLY A 47 -1.914 -1.946 -1.058 1.00 0.00 C ATOM 674 C GLY A 47 -1.212 -1.700 -2.393 1.00 0.00 C ATOM 675 O GLY A 47 -0.061 -2.099 -2.553 1.00 0.00 O ATOM 0 H GLY A 47 -3.921 -1.414 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.167 -1.905 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.317 -2.959 -1.064 1.00 0.00 H new ATOM 679 N MET A 48 -1.876 -1.072 -3.368 1.00 0.00 N ATOM 680 CA MET A 48 -1.233 -0.836 -4.667 1.00 0.00 C ATOM 681 C MET A 48 -0.122 0.191 -4.534 1.00 0.00 C ATOM 682 O MET A 48 0.997 -0.020 -5.003 1.00 0.00 O ATOM 683 CB MET A 48 -2.235 -0.363 -5.720 1.00 0.00 C ATOM 684 CG MET A 48 -3.084 -1.485 -6.297 1.00 0.00 C ATOM 685 SD MET A 48 -2.163 -2.537 -7.435 1.00 0.00 S ATOM 686 CE MET A 48 -3.501 -3.345 -8.311 1.00 0.00 C ATOM 0 H MET A 48 -2.832 -0.726 -3.289 1.00 0.00 H new ATOM 0 HA MET A 48 -0.815 -1.788 -4.994 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.890 0.386 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.695 0.126 -6.530 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.477 -2.094 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.941 -1.057 -6.817 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.096 -3.920 -9.144 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.029 -4.014 -7.631 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.193 -2.594 -8.691 1.00 0.00 H new ATOM 696 N LEU A 49 -0.434 1.295 -3.870 1.00 0.00 N ATOM 697 CA LEU A 49 0.542 2.348 -3.649 1.00 0.00 C ATOM 698 C LEU A 49 1.713 1.826 -2.831 1.00 0.00 C ATOM 699 O LEU A 49 2.766 2.458 -2.764 1.00 0.00 O ATOM 700 CB LEU A 49 -0.094 3.547 -2.946 1.00 0.00 C ATOM 701 CG LEU A 49 -0.862 4.510 -3.858 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.059 4.824 -5.110 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.221 3.933 -4.229 1.00 0.00 C ATOM 0 H LEU A 49 -1.356 1.483 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 49 0.908 2.675 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.775 3.178 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.690 4.105 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.020 5.439 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.624 5.509 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.887 5.286 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.136 3.902 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.749 4.633 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.084 2.987 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.805 3.765 -3.324 1.00 0.00 H new ATOM 715 N LEU A 50 1.513 0.678 -2.188 1.00 0.00 N ATOM 716 CA LEU A 50 2.540 0.087 -1.350 1.00 0.00 C ATOM 717 C LEU A 50 3.850 -0.118 -2.117 1.00 0.00 C ATOM 718 O LEU A 50 4.912 -0.256 -1.514 1.00 0.00 O ATOM 719 CB LEU A 50 2.056 -1.245 -0.791 1.00 0.00 C ATOM 720 CG LEU A 50 1.108 -1.114 0.393 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.722 -2.481 0.946 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.760 -0.264 1.470 1.00 0.00 C ATOM 0 H LEU A 50 0.646 0.142 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 50 2.736 0.779 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.555 -1.799 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.921 -1.835 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 50 0.192 -0.629 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.045 -2.354 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.227 -3.062 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.618 -3.006 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.082 -0.169 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.686 -0.737 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.980 0.725 1.069 1.00 0.00 H new ATOM 734 N GLU A 51 3.777 -0.125 -3.447 1.00 0.00 N ATOM 735 CA GLU A 51 4.974 -0.295 -4.270 1.00 0.00 C ATOM 736 C GLU A 51 5.029 0.733 -5.401 1.00 0.00 C ATOM 737 O GLU A 51 6.010 0.793 -6.143 1.00 0.00 O ATOM 738 CB GLU A 51 5.047 -1.708 -4.850 1.00 0.00 C ATOM 739 CG GLU A 51 3.741 -2.197 -5.449 1.00 0.00 C ATOM 740 CD GLU A 51 3.699 -2.045 -6.958 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.777 -2.090 -7.590 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.590 -1.881 -7.508 1.00 0.00 O ATOM 0 H GLU A 51 2.911 -0.016 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 51 5.834 -0.136 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.820 -1.735 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.355 -2.397 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.596 -3.246 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.913 -1.642 -5.008 1.00 0.00 H new ATOM 749 N MET A 52 3.980 1.545 -5.532 1.00 0.00 N ATOM 750 CA MET A 52 3.935 2.564 -6.574 1.00 0.00 C ATOM 751 C MET A 52 4.921 3.687 -6.273 1.00 0.00 C ATOM 752 O MET A 52 5.960 3.802 -6.923 1.00 0.00 O ATOM 753 CB MET A 52 2.520 3.130 -6.707 1.00 0.00 C ATOM 754 CG MET A 52 1.490 2.098 -7.139 1.00 0.00 C ATOM 755 SD MET A 52 1.027 2.262 -8.874 1.00 0.00 S ATOM 756 CE MET A 52 1.426 0.627 -9.487 1.00 0.00 C ATOM 0 H MET A 52 3.156 1.516 -4.932 1.00 0.00 H new ATOM 0 HA MET A 52 4.218 2.098 -7.518 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.217 3.556 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.530 3.946 -7.430 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.889 1.098 -6.966 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.599 2.198 -6.518 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.194 0.571 -10.551 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.488 0.431 -9.336 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.839 -0.117 -8.948 1.00 0.00 H new ATOM 766 N ASP A 53 4.593 4.514 -5.283 1.00 0.00 N ATOM 767 CA ASP A 53 5.461 5.624 -4.901 1.00 0.00 C ATOM 768 C ASP A 53 5.874 5.513 -3.437 1.00 0.00 C ATOM 769 O ASP A 53 5.057 5.185 -2.581 1.00 0.00 O ATOM 770 CB ASP A 53 4.756 6.959 -5.144 1.00 0.00 C ATOM 771 CG ASP A 53 4.096 7.027 -6.508 1.00 0.00 C ATOM 772 OD1 ASP A 53 2.990 6.469 -6.660 1.00 0.00 O ATOM 773 OD2 ASP A 53 4.686 7.639 -7.423 1.00 0.00 O ATOM 0 H ASP A 53 3.737 4.437 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 53 6.359 5.578 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.003 7.115 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.479 7.770 -5.053 1.00 0.00 H new ATOM 778 N GLN A 54 7.145 5.788 -3.154 1.00 0.00 N ATOM 779 CA GLN A 54 7.659 5.715 -1.787 1.00 0.00 C ATOM 780 C GLN A 54 6.800 6.551 -0.840 1.00 0.00 C ATOM 781 O GLN A 54 6.550 6.164 0.302 1.00 0.00 O ATOM 782 CB GLN A 54 9.110 6.195 -1.736 1.00 0.00 C ATOM 783 CG GLN A 54 9.937 5.521 -0.653 1.00 0.00 C ATOM 784 CD GLN A 54 11.267 6.211 -0.421 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.604 7.181 -1.099 1.00 0.00 O ATOM 786 NE2 GLN A 54 12.031 5.712 0.545 1.00 0.00 N ATOM 0 H GLN A 54 7.837 6.063 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 54 7.619 4.674 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.578 6.014 -2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.122 7.273 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.370 5.510 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.114 4.482 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.712 4.906 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.937 6.135 0.749 1.00 0.00 H new ATOM 795 N THR A 55 6.348 7.694 -1.332 1.00 0.00 N ATOM 796 CA THR A 55 5.502 8.591 -0.558 1.00 0.00 C ATOM 797 C THR A 55 4.110 7.992 -0.378 1.00 0.00 C ATOM 798 O THR A 55 3.548 8.010 0.717 1.00 0.00 O ATOM 799 CB THR A 55 5.402 9.952 -1.246 1.00 0.00 C ATOM 800 OG1 THR A 55 4.601 10.840 -0.487 1.00 0.00 O ATOM 801 CG2 THR A 55 4.812 9.879 -2.638 1.00 0.00 C ATOM 0 H THR A 55 6.555 8.025 -2.274 1.00 0.00 H new ATOM 0 HA THR A 55 5.953 8.725 0.425 1.00 0.00 H new ATOM 0 HB THR A 55 6.428 10.312 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.550 11.706 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.770 10.880 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.435 9.241 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.805 9.464 -2.585 1.00 0.00 H new ATOM 809 N GLU A 56 3.556 7.471 -1.472 1.00 0.00 N ATOM 810 CA GLU A 56 2.225 6.875 -1.452 1.00 0.00 C ATOM 811 C GLU A 56 2.213 5.569 -0.661 1.00 0.00 C ATOM 812 O GLU A 56 1.300 5.323 0.117 1.00 0.00 O ATOM 813 CB GLU A 56 1.724 6.631 -2.877 1.00 0.00 C ATOM 814 CG GLU A 56 1.732 7.877 -3.747 1.00 0.00 C ATOM 815 CD GLU A 56 0.356 8.502 -3.883 1.00 0.00 C ATOM 816 OE1 GLU A 56 -0.254 8.824 -2.843 1.00 0.00 O ATOM 817 OE2 GLU A 56 -0.108 8.668 -5.030 1.00 0.00 O ATOM 0 H GLU A 56 4.011 7.451 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 56 1.555 7.578 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.345 5.867 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.709 6.235 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.419 8.609 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.111 7.622 -4.737 1.00 0.00 H new ATOM 824 N VAL A 57 3.230 4.736 -0.858 1.00 0.00 N ATOM 825 CA VAL A 57 3.315 3.460 -0.146 1.00 0.00 C ATOM 826 C VAL A 57 3.284 3.691 1.357 1.00 0.00 C ATOM 827 O VAL A 57 2.556 3.021 2.088 1.00 0.00 O ATOM 828 CB VAL A 57 4.619 2.696 -0.494 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.803 3.637 -0.488 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.861 1.542 0.474 1.00 0.00 C ATOM 0 H VAL A 57 4.003 4.917 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 57 2.458 2.863 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 57 4.502 2.280 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.709 3.083 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.646 4.424 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.908 4.083 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.782 1.027 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.948 1.930 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.026 0.843 0.423 1.00 0.00 H new ATOM 840 N LEU A 58 4.085 4.643 1.804 1.00 0.00 N ATOM 841 CA LEU A 58 4.161 4.970 3.213 1.00 0.00 C ATOM 842 C LEU A 58 2.834 5.536 3.717 1.00 0.00 C ATOM 843 O LEU A 58 2.331 5.127 4.758 1.00 0.00 O ATOM 844 CB LEU A 58 5.302 5.977 3.432 1.00 0.00 C ATOM 845 CG LEU A 58 5.111 6.964 4.588 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.008 6.222 5.912 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.252 7.970 4.622 1.00 0.00 C ATOM 0 H LEU A 58 4.693 5.204 1.207 1.00 0.00 H new ATOM 0 HA LEU A 58 4.364 4.062 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.224 5.421 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.440 6.546 2.513 1.00 0.00 H new ATOM 0 HG LEU A 58 4.180 7.507 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.873 6.939 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.156 5.543 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.921 5.652 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.101 8.664 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.197 7.444 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.277 8.524 3.684 1.00 0.00 H new ATOM 859 N HIS A 59 2.286 6.486 2.970 1.00 0.00 N ATOM 860 CA HIS A 59 1.028 7.135 3.331 1.00 0.00 C ATOM 861 C HIS A 59 -0.204 6.232 3.161 1.00 0.00 C ATOM 862 O HIS A 59 -1.098 6.232 4.006 1.00 0.00 O ATOM 863 CB HIS A 59 0.861 8.420 2.516 1.00 0.00 C ATOM 864 CG HIS A 59 2.029 9.350 2.626 1.00 0.00 C ATOM 865 ND1 HIS A 59 2.386 10.233 1.628 1.00 0.00 N ATOM 866 CD2 HIS A 59 2.917 9.543 3.630 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.443 10.927 2.012 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.785 10.528 3.222 1.00 0.00 N ATOM 0 H HIS A 59 2.697 6.828 2.101 1.00 0.00 H new ATOM 0 HA HIS A 59 1.087 7.365 4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.711 8.160 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.039 8.938 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.939 9.021 4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.942 11.691 1.434 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.567 10.892 3.767 1.00 0.00 H new ATOM 876 N LEU A 60 -0.268 5.499 2.048 1.00 0.00 N ATOM 877 CA LEU A 60 -1.421 4.638 1.755 1.00 0.00 C ATOM 878 C LEU A 60 -1.580 3.487 2.742 1.00 0.00 C ATOM 879 O LEU A 60 -2.644 2.891 2.812 1.00 0.00 O ATOM 880 CB LEU A 60 -1.367 4.092 0.325 1.00 0.00 C ATOM 881 CG LEU A 60 -2.089 4.950 -0.721 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.555 5.163 -0.347 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.383 6.288 -0.881 1.00 0.00 C ATOM 0 H LEU A 60 0.461 5.482 1.335 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.296 5.280 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.323 3.988 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.802 3.092 0.317 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.061 4.418 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.039 5.775 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.058 4.198 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.615 5.668 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.905 6.888 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.382 6.815 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.356 6.121 -1.205 1.00 0.00 H new ATOM 895 N LEU A 61 -0.534 3.169 3.491 1.00 0.00 N ATOM 896 CA LEU A 61 -0.595 2.083 4.471 1.00 0.00 C ATOM 897 C LEU A 61 -0.101 2.581 5.826 1.00 0.00 C ATOM 898 O LEU A 61 0.540 1.848 6.578 1.00 0.00 O ATOM 899 CB LEU A 61 0.223 0.887 4.003 1.00 0.00 C ATOM 900 CG LEU A 61 -0.513 -0.455 4.078 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.350 -0.691 2.829 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.469 -1.589 4.288 1.00 0.00 C ATOM 0 H LEU A 61 0.367 3.644 3.443 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.631 1.759 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.537 1.058 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.129 0.824 4.606 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.189 -0.422 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.861 -1.650 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.087 0.106 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.702 -0.698 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.072 -2.534 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.174 -1.619 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.013 -1.432 5.220 1.00 0.00 H new ATOM 914 N GLU A 62 -0.427 3.837 6.128 1.00 0.00 N ATOM 915 CA GLU A 62 -0.045 4.456 7.394 1.00 0.00 C ATOM 916 C GLU A 62 -0.994 5.597 7.751 1.00 0.00 C ATOM 917 O GLU A 62 -1.413 5.725 8.901 1.00 0.00 O ATOM 918 CB GLU A 62 1.390 4.989 7.335 1.00 0.00 C ATOM 919 CG GLU A 62 2.447 3.909 7.159 1.00 0.00 C ATOM 920 CD GLU A 62 2.584 3.019 8.379 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.562 2.456 8.823 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.716 2.886 8.892 1.00 0.00 O ATOM 0 H GLU A 62 -0.958 4.448 5.508 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.106 3.687 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.469 5.698 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.599 5.541 8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.194 3.296 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.408 4.378 6.947 1.00 0.00 H new ATOM 929 N SER A 63 -1.326 6.435 6.766 1.00 0.00 N ATOM 930 CA SER A 63 -2.220 7.564 7.005 1.00 0.00 C ATOM 931 C SER A 63 -3.541 7.398 6.256 1.00 0.00 C ATOM 932 O SER A 63 -3.571 6.878 5.141 1.00 0.00 O ATOM 933 CB SER A 63 -1.545 8.871 6.582 1.00 0.00 C ATOM 934 OG SER A 63 -0.841 9.456 7.663 1.00 0.00 O ATOM 0 H SER A 63 -0.992 6.353 5.806 1.00 0.00 H new ATOM 0 HA SER A 63 -2.437 7.596 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.858 8.679 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.297 9.569 6.213 1.00 0.00 H new ATOM 0 HG SER A 63 -0.418 10.288 7.366 1.00 0.00 H new ATOM 940 N PRO A 64 -4.657 7.847 6.862 1.00 0.00 N ATOM 941 CA PRO A 64 -5.982 7.751 6.244 1.00 0.00 C ATOM 942 C PRO A 64 -6.152 8.748 5.103 1.00 0.00 C ATOM 943 O PRO A 64 -6.642 8.402 4.028 1.00 0.00 O ATOM 944 CB PRO A 64 -6.934 8.084 7.394 1.00 0.00 C ATOM 945 CG PRO A 64 -6.137 8.957 8.301 1.00 0.00 C ATOM 946 CD PRO A 64 -4.712 8.487 8.191 1.00 0.00 C ATOM 0 HA PRO A 64 -6.160 6.772 5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.826 8.596 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.269 7.182 7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.225 10.004 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.494 8.880 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.010 9.317 8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.460 7.784 8.985 1.00 0.00 H new ATOM 954 N ASP A 65 -5.732 9.988 5.343 1.00 0.00 N ATOM 955 CA ASP A 65 -5.823 11.038 4.334 1.00 0.00 C ATOM 956 C ASP A 65 -5.121 10.611 3.049 1.00 0.00 C ATOM 957 O ASP A 65 -5.453 11.073 1.957 1.00 0.00 O ATOM 958 CB ASP A 65 -5.208 12.334 4.872 1.00 0.00 C ATOM 959 CG ASP A 65 -3.693 12.364 4.759 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.185 12.488 3.625 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.018 12.263 5.805 1.00 0.00 O ATOM 0 H ASP A 65 -5.325 10.289 6.228 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.874 11.213 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.624 13.181 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.491 12.458 5.917 1.00 0.00 H new ATOM 966 N ALA A 66 -4.147 9.723 3.199 1.00 0.00 N ATOM 967 CA ALA A 66 -3.383 9.217 2.067 1.00 0.00 C ATOM 968 C ALA A 66 -4.274 8.444 1.107 1.00 0.00 C ATOM 969 O ALA A 66 -4.161 8.571 -0.111 1.00 0.00 O ATOM 970 CB ALA A 66 -2.262 8.321 2.560 1.00 0.00 C ATOM 0 H ALA A 66 -3.866 9.336 4.100 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.962 10.069 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.695 7.946 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.601 8.891 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.684 7.482 3.113 1.00 0.00 H new ATOM 976 N LEU A 67 -5.154 7.632 1.675 1.00 0.00 N ATOM 977 CA LEU A 67 -6.069 6.815 0.897 1.00 0.00 C ATOM 978 C LEU A 67 -7.138 7.659 0.217 1.00 0.00 C ATOM 979 O LEU A 67 -7.569 7.348 -0.888 1.00 0.00 O ATOM 980 CB LEU A 67 -6.697 5.756 1.793 1.00 0.00 C ATOM 981 CG LEU A 67 -5.682 4.877 2.529 1.00 0.00 C ATOM 982 CD1 LEU A 67 -6.186 4.515 3.918 1.00 0.00 C ATOM 983 CD2 LEU A 67 -5.370 3.626 1.719 1.00 0.00 C ATOM 0 H LEU A 67 -5.252 7.522 2.684 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.503 6.323 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.335 6.248 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.341 5.119 1.187 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.759 5.445 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.448 3.890 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.346 5.425 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.126 3.970 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.647 3.014 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.285 3.055 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.954 3.912 0.753 1.00 0.00 H new ATOM 995 N LYS A 68 -7.558 8.731 0.874 1.00 0.00 N ATOM 996 CA LYS A 68 -8.577 9.613 0.313 1.00 0.00 C ATOM 997 C LYS A 68 -8.164 10.081 -1.080 1.00 0.00 C ATOM 998 O LYS A 68 -9.000 10.262 -1.966 1.00 0.00 O ATOM 999 CB LYS A 68 -8.794 10.819 1.228 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.017 10.691 2.123 1.00 0.00 C ATOM 1001 CD LYS A 68 -10.820 11.983 2.162 1.00 0.00 C ATOM 1002 CE LYS A 68 -11.228 12.344 3.581 1.00 0.00 C ATOM 1003 NZ LYS A 68 -11.114 13.807 3.836 1.00 0.00 N ATOM 0 H LYS A 68 -7.212 9.012 1.792 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.512 9.058 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.910 10.955 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.894 11.716 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.649 9.880 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.704 10.426 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.228 12.793 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.710 11.878 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.255 12.024 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.600 11.802 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.401 14.012 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.129 14.108 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.732 14.323 3.178 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.867 10.280 -1.255 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.310 10.729 -2.522 1.00 0.00 C ATOM 1019 C ALA A 69 -6.365 9.657 -3.607 1.00 0.00 C ATOM 1020 O ALA A 69 -6.829 9.905 -4.722 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.864 11.089 -2.303 1.00 0.00 C ATOM 0 H ALA A 69 -6.171 10.135 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.905 11.578 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.427 11.429 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.796 11.886 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.321 10.214 -1.946 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.854 8.475 -3.279 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.802 7.369 -4.227 1.00 0.00 C ATOM 1029 C LYS A 70 -7.154 6.704 -4.388 1.00 0.00 C ATOM 1030 O LYS A 70 -7.483 6.204 -5.460 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.778 6.327 -3.774 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.366 6.868 -3.650 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.800 7.264 -5.004 1.00 0.00 C ATOM 1034 CE LYS A 70 -3.091 8.721 -5.325 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.289 8.940 -6.785 1.00 0.00 N ATOM 0 H LYS A 70 -5.469 8.258 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.506 7.783 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.088 5.922 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.779 5.499 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.364 7.733 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.725 6.114 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.723 7.097 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.228 6.627 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.983 9.040 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.267 9.342 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.485 9.946 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.429 8.660 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.092 8.368 -7.116 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.928 6.683 -3.318 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.245 6.048 -3.366 1.00 0.00 C ATOM 1051 C VAL A 71 -10.117 6.659 -4.454 1.00 0.00 C ATOM 1052 O VAL A 71 -10.712 5.941 -5.254 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.994 6.110 -2.020 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.247 5.329 -0.950 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.215 7.549 -1.593 1.00 0.00 C ATOM 0 H VAL A 71 -7.679 7.089 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.055 4.999 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.971 5.646 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.794 5.387 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.159 4.286 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.252 5.753 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.745 7.569 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.252 8.048 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.807 8.066 -2.348 1.00 0.00 H new ATOM 1065 N ALA A 72 -10.185 7.983 -4.489 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.986 8.671 -5.493 1.00 0.00 C ATOM 1067 C ALA A 72 -10.546 8.289 -6.904 1.00 0.00 C ATOM 1068 O ALA A 72 -11.373 7.997 -7.767 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.896 10.177 -5.300 1.00 0.00 C ATOM 0 H ALA A 72 -9.698 8.599 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.024 8.361 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.499 10.678 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.266 10.440 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.858 10.495 -5.395 1.00 0.00 H new ATOM 1075 N GLU A 73 -9.235 8.296 -7.130 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.679 7.955 -8.437 1.00 0.00 C ATOM 1077 C GLU A 73 -8.774 6.454 -8.720 1.00 0.00 C ATOM 1078 O GLU A 73 -9.231 6.043 -9.786 1.00 0.00 O ATOM 1079 CB GLU A 73 -7.222 8.407 -8.524 1.00 0.00 C ATOM 1080 CG GLU A 73 -7.057 9.843 -8.994 1.00 0.00 C ATOM 1081 CD GLU A 73 -7.214 9.986 -10.495 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -7.874 9.120 -11.108 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -6.679 10.965 -11.058 1.00 0.00 O ATOM 0 H GLU A 73 -8.537 8.534 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.269 8.476 -9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.758 8.299 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.686 7.747 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.793 10.472 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.073 10.207 -8.699 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.319 5.643 -7.769 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.332 4.192 -7.926 1.00 0.00 C ATOM 1092 C ALA A 74 -9.752 3.634 -7.996 1.00 0.00 C ATOM 1093 O ALA A 74 -10.053 2.799 -8.849 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.552 3.522 -6.800 1.00 0.00 C ATOM 0 H ALA A 74 -7.936 5.967 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.846 3.967 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.574 2.441 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.519 3.869 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.005 3.777 -5.842 1.00 0.00 H new ATOM 1100 N MET A 75 -10.622 4.088 -7.099 1.00 0.00 N ATOM 1101 CA MET A 75 -11.999 3.616 -7.076 1.00 0.00 C ATOM 1102 C MET A 75 -12.701 3.896 -8.401 1.00 0.00 C ATOM 1103 O MET A 75 -13.462 3.068 -8.898 1.00 0.00 O ATOM 1104 CB MET A 75 -12.766 4.275 -5.931 1.00 0.00 C ATOM 1105 CG MET A 75 -12.333 3.799 -4.554 1.00 0.00 C ATOM 1106 SD MET A 75 -13.663 2.989 -3.644 1.00 0.00 S ATOM 1107 CE MET A 75 -14.968 4.208 -3.795 1.00 0.00 C ATOM 0 H MET A 75 -10.398 4.779 -6.383 1.00 0.00 H new ATOM 0 HA MET A 75 -11.980 2.537 -6.921 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.634 5.355 -5.991 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.830 4.077 -6.057 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.498 3.107 -4.660 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.971 4.650 -3.978 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.585 4.193 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.529 5.198 -3.917 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.585 3.975 -4.663 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.445 5.064 -8.973 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.061 5.433 -10.240 1.00 0.00 C ATOM 1119 C GLU A 76 -12.714 4.418 -11.326 1.00 0.00 C ATOM 1120 O GLU A 76 -13.590 3.939 -12.044 1.00 0.00 O ATOM 1121 CB GLU A 76 -12.606 6.830 -10.667 1.00 0.00 C ATOM 1122 CG GLU A 76 -13.281 7.951 -9.893 1.00 0.00 C ATOM 1123 CD GLU A 76 -12.537 9.268 -10.007 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -11.289 9.245 -10.003 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -13.203 10.320 -10.102 1.00 0.00 O ATOM 0 H GLU A 76 -11.819 5.769 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.142 5.439 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.527 6.908 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.808 6.960 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.299 8.080 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.355 7.669 -8.843 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.433 4.098 -11.439 1.00 0.00 N ATOM 1133 CA VAL A 77 -10.966 3.141 -12.434 1.00 0.00 C ATOM 1134 C VAL A 77 -11.284 1.699 -12.037 1.00 0.00 C ATOM 1135 O VAL A 77 -11.567 0.860 -12.891 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.449 3.276 -12.675 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.673 2.966 -11.403 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -9.004 2.372 -13.814 1.00 0.00 C ATOM 0 H VAL A 77 -10.696 4.488 -10.852 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.500 3.374 -13.355 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.238 4.307 -12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.605 3.067 -11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.968 3.662 -10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.890 1.946 -11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.931 2.482 -13.968 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.230 1.335 -13.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.532 2.650 -14.726 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.211 1.411 -10.741 1.00 0.00 N ATOM 1149 CA LEU A 78 -11.465 0.062 -10.241 1.00 0.00 C ATOM 1150 C LEU A 78 -12.957 -0.203 -10.029 1.00 0.00 C ATOM 1151 O LEU A 78 -13.542 -1.058 -10.692 1.00 0.00 O ATOM 1152 CB LEU A 78 -10.699 -0.163 -8.932 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.002 -1.474 -8.195 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -12.130 -1.273 -7.197 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -11.346 -2.587 -9.177 1.00 0.00 C ATOM 0 H LEU A 78 -10.978 2.092 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.114 -0.640 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.631 -0.129 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.915 0.667 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.106 -1.772 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.333 -2.212 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.841 -0.516 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.027 -0.947 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.556 -3.505 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.224 -2.302 -9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.504 -2.752 -9.850 1.00 0.00 H new ATOM 1167 N ARG A 79 -13.558 0.515 -9.088 1.00 0.00 N ATOM 1168 CA ARG A 79 -14.953 0.353 -8.764 1.00 0.00 C ATOM 1169 C ARG A 79 -15.861 0.601 -9.971 1.00 0.00 C ATOM 1170 O ARG A 79 -16.923 -0.011 -10.087 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.260 1.299 -7.601 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.448 2.231 -7.801 1.00 0.00 C ATOM 1173 CD ARG A 79 -17.530 1.993 -6.759 1.00 0.00 C ATOM 1174 NE ARG A 79 -18.763 2.710 -7.078 1.00 0.00 N ATOM 1175 CZ ARG A 79 -18.948 4.007 -6.844 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -17.985 4.733 -6.290 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -20.101 4.579 -7.164 1.00 0.00 N ATOM 0 H ARG A 79 -13.082 1.226 -8.532 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.154 -0.678 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.438 0.700 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.375 1.905 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.112 3.266 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.863 2.083 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.739 0.925 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.168 2.311 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.527 2.186 -7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.097 4.297 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -18.133 5.727 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.845 4.025 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.244 5.573 -6.985 1.00 0.00 H new ATOM 1191 N SER A 80 -15.455 1.502 -10.859 1.00 0.00 N ATOM 1192 CA SER A 80 -16.261 1.813 -12.034 1.00 0.00 C ATOM 1193 C SER A 80 -15.805 1.013 -13.252 1.00 0.00 C ATOM 1194 O SER A 80 -16.603 0.712 -14.140 1.00 0.00 O ATOM 1195 CB SER A 80 -16.205 3.309 -12.336 1.00 0.00 C ATOM 1196 OG SER A 80 -17.464 3.788 -12.781 1.00 0.00 O ATOM 0 H SER A 80 -14.582 2.025 -10.789 1.00 0.00 H new ATOM 0 HA SER A 80 -17.291 1.532 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.901 3.853 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.449 3.501 -13.098 1.00 0.00 H new ATOM 0 HG SER A 80 -17.402 4.748 -12.966 1.00 0.00 H new ATOM 1202 N ALA A 81 -14.521 0.668 -13.289 1.00 0.00 N ATOM 1203 CA ALA A 81 -13.972 -0.099 -14.402 1.00 0.00 C ATOM 1204 C ALA A 81 -14.208 0.612 -15.731 1.00 0.00 C ATOM 1205 O ALA A 81 -14.799 0.047 -16.653 1.00 0.00 O ATOM 1206 CB ALA A 81 -14.578 -1.494 -14.429 1.00 0.00 C ATOM 0 H ALA A 81 -13.844 0.906 -12.564 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.895 -0.186 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.160 -2.056 -15.264 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -14.350 -2.008 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -15.659 -1.419 -14.547 1.00 0.00 H new ATOM 1212 N GLN A 82 -13.745 1.853 -15.823 1.00 0.00 N ATOM 1213 CA GLN A 82 -13.907 2.642 -17.039 1.00 0.00 C ATOM 1214 C GLN A 82 -13.018 2.107 -18.158 1.00 0.00 C ATOM 1215 O GLN A 82 -13.507 1.535 -19.132 1.00 0.00 O ATOM 1216 CB GLN A 82 -13.576 4.111 -16.768 1.00 0.00 C ATOM 1217 CG GLN A 82 -14.780 4.936 -16.340 1.00 0.00 C ATOM 1218 CD GLN A 82 -14.536 6.427 -16.458 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -15.269 7.134 -17.149 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -13.501 6.913 -15.782 1.00 0.00 N ATOM 0 H GLN A 82 -13.254 2.335 -15.070 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.947 2.564 -17.356 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.813 4.166 -15.991 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.146 4.550 -17.668 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.639 4.663 -16.952 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.034 4.694 -15.308 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.920 6.290 -15.221 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.287 7.910 -15.823 1.00 0.00 H new ATOM 1229 N GLN A 83 -11.712 2.298 -18.012 1.00 0.00 N ATOM 1230 CA GLN A 83 -10.755 1.834 -19.011 1.00 0.00 C ATOM 1231 C GLN A 83 -10.007 0.600 -18.518 1.00 0.00 C ATOM 1232 O GLN A 83 -9.625 -0.264 -19.309 1.00 0.00 O ATOM 1233 CB GLN A 83 -9.761 2.947 -19.350 1.00 0.00 C ATOM 1234 CG GLN A 83 -9.219 3.671 -18.128 1.00 0.00 C ATOM 1235 CD GLN A 83 -9.878 5.019 -17.911 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -10.943 5.111 -17.300 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -9.248 6.074 -18.413 1.00 0.00 N ATOM 0 H GLN A 83 -11.291 2.771 -17.212 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.309 1.564 -19.910 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.928 2.521 -19.909 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.247 3.670 -20.005 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.370 3.050 -17.245 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.144 3.810 -18.239 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.367 5.952 -18.913 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.645 7.007 -18.299 1.00 0.00 H new ATOM 1246 N HIS A 84 -9.799 0.523 -17.208 1.00 0.00 N ATOM 1247 CA HIS A 84 -9.097 -0.605 -16.610 1.00 0.00 C ATOM 1248 C HIS A 84 -9.887 -1.182 -15.440 1.00 0.00 C ATOM 1249 O HIS A 84 -10.193 -0.478 -14.478 1.00 0.00 O ATOM 1250 CB HIS A 84 -7.706 -0.174 -16.138 1.00 0.00 C ATOM 1251 CG HIS A 84 -6.652 -1.216 -16.351 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -6.723 -2.482 -15.809 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -5.495 -1.177 -17.054 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -5.658 -3.176 -16.166 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -4.897 -2.407 -16.922 1.00 0.00 N ATOM 0 H HIS A 84 -10.107 1.230 -16.540 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.993 -1.379 -17.370 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.418 0.735 -16.665 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.752 0.073 -15.077 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.114 -0.336 -17.614 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.446 -4.198 -15.887 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -4.008 -2.682 -17.341 1.00 0.00 H new ATOM 1263 N THR A 85 -10.216 -2.467 -15.529 1.00 0.00 N ATOM 1264 CA THR A 85 -10.971 -3.138 -14.479 1.00 0.00 C ATOM 1265 C THR A 85 -10.059 -3.533 -13.321 1.00 0.00 C ATOM 1266 O THR A 85 -10.457 -4.415 -12.531 1.00 0.00 O ATOM 1267 CB THR A 85 -11.672 -4.377 -15.037 1.00 0.00 C ATOM 1268 OG1 THR A 85 -10.734 -5.404 -15.308 1.00 0.00 O ATOM 1269 CG2 THR A 85 -12.439 -4.107 -16.313 1.00 0.00 C ATOM 1270 OXT THR A 85 -8.956 -2.958 -13.215 1.00 0.00 O ATOM 0 H THR A 85 -9.971 -3.064 -16.319 1.00 0.00 H new ATOM 0 HA THR A 85 -11.722 -2.442 -14.105 1.00 0.00 H new ATOM 0 HB THR A 85 -12.379 -4.681 -14.265 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.202 -6.189 -15.663 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.912 -5.028 -16.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.204 -3.354 -16.125 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.754 -3.745 -17.080 1.00 0.00 H new TER 1278 THR A 85