USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -129:sc= -0.0327 (180deg=-0.697) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 19 GLN : amide:sc= 0.0149 X(o=0.015,f=0) USER MOD Single : A 24 TYR OH : rot 142:sc= 0.395 USER MOD Single : A 28 HIS : no HD1:sc= -3.07 K(o=-3.1,f=-1.2) USER MOD Single : A 29 GLN : amide:sc= -5! K(o=-5!,f=-3.2) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 40 SER OG : rot -77:sc= -0.0519 USER MOD Single : A 41 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.12) USER MOD Single : A 43 SER OG : rot -130:sc= -2.14! USER MOD Single : A 46 SER OG : rot 180:sc= 0.268 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -3.23! K(o=-3.2!,f=-1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 8:sc= 0.173 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.730 -13.081 -6.311 1.00 0.00 N ATOM 2 CA GLY A 1 -0.094 -14.266 -6.160 1.00 0.00 C ATOM 3 C GLY A 1 -0.315 -14.637 -4.707 1.00 0.00 C ATOM 4 O GLY A 1 -0.164 -13.800 -3.817 1.00 0.00 O ATOM 0 H1 GLY A 1 0.255 -12.406 -6.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.876 -12.639 -5.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.650 -13.347 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.058 -14.098 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.378 -15.101 -6.677 1.00 0.00 H new ATOM 8 N SER A 2 -0.676 -15.893 -4.467 1.00 0.00 N ATOM 9 CA SER A 2 -0.925 -16.371 -3.112 1.00 0.00 C ATOM 10 C SER A 2 -0.091 -17.613 -2.814 1.00 0.00 C ATOM 11 O SER A 2 -0.448 -18.724 -3.209 1.00 0.00 O ATOM 12 CB SER A 2 -2.411 -16.682 -2.922 1.00 0.00 C ATOM 13 OG SER A 2 -3.201 -15.520 -3.102 1.00 0.00 O ATOM 0 H SER A 2 -0.803 -16.598 -5.193 1.00 0.00 H new ATOM 0 HA SER A 2 -0.635 -15.584 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.719 -17.449 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.576 -17.087 -1.924 1.00 0.00 H new ATOM 0 HG SER A 2 -4.147 -15.745 -2.977 1.00 0.00 H new ATOM 19 N SER A 3 1.021 -17.418 -2.112 1.00 0.00 N ATOM 20 CA SER A 3 1.908 -18.521 -1.763 1.00 0.00 C ATOM 21 C SER A 3 2.404 -18.386 -0.326 1.00 0.00 C ATOM 22 O SER A 3 3.204 -17.505 -0.015 1.00 0.00 O ATOM 23 CB SER A 3 3.099 -18.570 -2.723 1.00 0.00 C ATOM 24 OG SER A 3 2.685 -18.937 -4.028 1.00 0.00 O ATOM 0 H SER A 3 1.329 -16.506 -1.774 1.00 0.00 H new ATOM 0 HA SER A 3 1.343 -19.449 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.587 -17.596 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.836 -19.285 -2.357 1.00 0.00 H new ATOM 0 HG SER A 3 3.463 -18.960 -4.624 1.00 0.00 H new ATOM 30 N GLY A 4 1.921 -19.265 0.546 1.00 0.00 N ATOM 31 CA GLY A 4 2.326 -19.227 1.939 1.00 0.00 C ATOM 32 C GLY A 4 3.717 -19.790 2.154 1.00 0.00 C ATOM 33 O GLY A 4 3.884 -20.994 2.347 1.00 0.00 O ATOM 0 H GLY A 4 1.256 -20.003 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.295 -18.197 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.612 -19.793 2.537 1.00 0.00 H new ATOM 37 N SER A 5 4.718 -18.916 2.122 1.00 0.00 N ATOM 38 CA SER A 5 6.103 -19.334 2.309 1.00 0.00 C ATOM 39 C SER A 5 6.571 -19.038 3.731 1.00 0.00 C ATOM 40 O SER A 5 6.653 -17.880 4.140 1.00 0.00 O ATOM 41 CB SER A 5 7.012 -18.626 1.302 1.00 0.00 C ATOM 42 OG SER A 5 6.662 -18.966 -0.028 1.00 0.00 O ATOM 0 H SER A 5 4.596 -17.915 1.969 1.00 0.00 H new ATOM 0 HA SER A 5 6.159 -20.410 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.938 -17.547 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.050 -18.900 1.489 1.00 0.00 H new ATOM 0 HG SER A 5 7.256 -18.499 -0.652 1.00 0.00 H new ATOM 48 N SER A 6 6.879 -20.094 4.477 1.00 0.00 N ATOM 49 CA SER A 6 7.336 -19.948 5.855 1.00 0.00 C ATOM 50 C SER A 6 8.856 -20.045 5.935 1.00 0.00 C ATOM 51 O SER A 6 9.429 -21.123 5.789 1.00 0.00 O ATOM 52 CB SER A 6 6.697 -21.020 6.741 1.00 0.00 C ATOM 53 OG SER A 6 6.716 -20.630 8.104 1.00 0.00 O ATOM 0 H SER A 6 6.821 -21.059 4.151 1.00 0.00 H new ATOM 0 HA SER A 6 7.033 -18.964 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.669 -21.194 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.232 -21.962 6.621 1.00 0.00 H new ATOM 0 HG SER A 6 6.301 -21.330 8.650 1.00 0.00 H new ATOM 59 N GLY A 7 9.503 -18.908 6.170 1.00 0.00 N ATOM 60 CA GLY A 7 10.952 -18.885 6.266 1.00 0.00 C ATOM 61 C GLY A 7 11.543 -17.571 5.795 1.00 0.00 C ATOM 62 O GLY A 7 11.738 -16.638 6.574 1.00 0.00 O ATOM 0 H GLY A 7 9.051 -18.002 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.247 -19.063 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.365 -19.700 5.672 1.00 0.00 H new ATOM 66 N PRO A 8 11.842 -17.486 4.490 1.00 0.00 N ATOM 67 CA PRO A 8 12.420 -16.282 3.888 1.00 0.00 C ATOM 68 C PRO A 8 11.428 -15.125 3.837 1.00 0.00 C ATOM 69 O PRO A 8 10.265 -15.274 4.215 1.00 0.00 O ATOM 70 CB PRO A 8 12.787 -16.734 2.472 1.00 0.00 C ATOM 71 CG PRO A 8 11.865 -17.869 2.187 1.00 0.00 C ATOM 72 CD PRO A 8 11.637 -18.559 3.503 1.00 0.00 C ATOM 0 HA PRO A 8 13.266 -15.906 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.655 -15.926 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.830 -17.046 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.925 -17.512 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.301 -18.553 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.633 -18.979 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.337 -19.381 3.652 1.00 0.00 H new ATOM 80 N LEU A 9 11.893 -13.973 3.365 1.00 0.00 N ATOM 81 CA LEU A 9 11.045 -12.790 3.264 1.00 0.00 C ATOM 82 C LEU A 9 9.780 -13.093 2.468 1.00 0.00 C ATOM 83 O LEU A 9 9.734 -14.018 1.657 1.00 0.00 O ATOM 84 CB LEU A 9 11.813 -11.643 2.604 1.00 0.00 C ATOM 85 CG LEU A 9 12.830 -10.920 3.489 1.00 0.00 C ATOM 86 CD1 LEU A 9 13.885 -10.233 2.637 1.00 0.00 C ATOM 87 CD2 LEU A 9 12.131 -9.913 4.391 1.00 0.00 C ATOM 0 H LEU A 9 12.852 -13.833 3.046 1.00 0.00 H new ATOM 0 HA LEU A 9 10.756 -12.494 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.335 -12.036 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.092 -10.911 2.241 1.00 0.00 H new ATOM 0 HG LEU A 9 13.326 -11.659 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.600 -9.724 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.406 -10.976 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.406 -9.505 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.870 -9.408 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.609 -9.178 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.413 -10.431 5.027 1.00 0.00 H new ATOM 99 N PRO A 10 8.728 -12.295 2.702 1.00 0.00 N ATOM 100 CA PRO A 10 7.442 -12.458 2.015 1.00 0.00 C ATOM 101 C PRO A 10 7.523 -12.082 0.539 1.00 0.00 C ATOM 102 O PRO A 10 8.293 -11.200 0.154 1.00 0.00 O ATOM 103 CB PRO A 10 6.517 -11.493 2.762 1.00 0.00 C ATOM 104 CG PRO A 10 7.427 -10.461 3.332 1.00 0.00 C ATOM 105 CD PRO A 10 8.712 -11.173 3.656 1.00 0.00 C ATOM 0 HA PRO A 10 7.101 -13.493 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.784 -11.047 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.960 -12.006 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.597 -9.654 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.995 -10.011 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.576 -10.522 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.729 -11.523 4.688 1.00 0.00 H new ATOM 113 N ILE A 11 6.725 -12.756 -0.282 1.00 0.00 N ATOM 114 CA ILE A 11 6.706 -12.491 -1.716 1.00 0.00 C ATOM 115 C ILE A 11 6.013 -11.168 -2.021 1.00 0.00 C ATOM 116 O ILE A 11 5.055 -10.772 -1.357 1.00 0.00 O ATOM 117 CB ILE A 11 5.996 -13.619 -2.487 1.00 0.00 C ATOM 118 CG1 ILE A 11 4.527 -13.706 -2.070 1.00 0.00 C ATOM 119 CG2 ILE A 11 6.700 -14.948 -2.249 1.00 0.00 C ATOM 120 CD1 ILE A 11 3.658 -14.442 -3.065 1.00 0.00 C ATOM 0 H ILE A 11 6.083 -13.489 0.020 1.00 0.00 H new ATOM 0 HA ILE A 11 7.745 -12.438 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 11 6.038 -13.393 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.461 -14.206 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.136 -12.698 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.187 -15.736 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.733 -14.879 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.686 -15.182 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.630 -14.464 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.693 -13.931 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.024 -15.462 -3.183 1.00 0.00 H new ATOM 132 N PRO A 12 6.506 -10.466 -3.053 1.00 0.00 N ATOM 133 CA PRO A 12 5.948 -9.176 -3.471 1.00 0.00 C ATOM 134 C PRO A 12 4.567 -9.321 -4.103 1.00 0.00 C ATOM 135 O PRO A 12 4.414 -9.850 -5.204 1.00 0.00 O ATOM 136 CB PRO A 12 6.958 -8.671 -4.505 1.00 0.00 C ATOM 137 CG PRO A 12 7.606 -9.903 -5.035 1.00 0.00 C ATOM 138 CD PRO A 12 7.647 -10.876 -3.889 1.00 0.00 C ATOM 0 HA PRO A 12 5.806 -8.500 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.465 -8.110 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.690 -8.003 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.041 -10.311 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.610 -9.689 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.544 -11.906 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.588 -10.814 -3.343 1.00 0.00 H new ATOM 146 N PRO A 13 3.537 -8.840 -3.392 1.00 0.00 N ATOM 147 CA PRO A 13 2.151 -8.903 -3.863 1.00 0.00 C ATOM 148 C PRO A 13 1.897 -7.971 -5.043 1.00 0.00 C ATOM 149 O PRO A 13 2.532 -6.925 -5.187 1.00 0.00 O ATOM 150 CB PRO A 13 1.340 -8.454 -2.644 1.00 0.00 C ATOM 151 CG PRO A 13 2.279 -7.609 -1.855 1.00 0.00 C ATOM 152 CD PRO A 13 3.646 -8.197 -2.070 1.00 0.00 C ATOM 0 HA PRO A 13 1.889 -9.898 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.456 -7.891 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.993 -9.308 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.244 -6.572 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.014 -7.614 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.420 -7.429 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.900 -8.917 -1.293 1.00 0.00 H new ATOM 160 N PRO A 14 0.949 -8.356 -5.909 1.00 0.00 N ATOM 161 CA PRO A 14 0.588 -7.568 -7.091 1.00 0.00 C ATOM 162 C PRO A 14 -0.129 -6.273 -6.729 1.00 0.00 C ATOM 163 O PRO A 14 -0.586 -6.083 -5.601 1.00 0.00 O ATOM 164 CB PRO A 14 -0.347 -8.499 -7.868 1.00 0.00 C ATOM 165 CG PRO A 14 -0.923 -9.404 -6.834 1.00 0.00 C ATOM 166 CD PRO A 14 0.152 -9.590 -5.800 1.00 0.00 C ATOM 0 HA PRO A 14 1.467 -7.257 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.127 -7.938 -8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.195 -9.061 -8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.819 -8.970 -6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.214 -10.360 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.268 -9.710 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.754 -10.476 -6.001 1.00 0.00 H new ATOM 174 N PRO A 15 -0.234 -5.360 -7.706 1.00 0.00 N ATOM 175 CA PRO A 15 -0.897 -4.067 -7.513 1.00 0.00 C ATOM 176 C PRO A 15 -2.406 -4.207 -7.350 1.00 0.00 C ATOM 177 O PRO A 15 -3.128 -4.541 -8.291 1.00 0.00 O ATOM 178 CB PRO A 15 -0.567 -3.303 -8.798 1.00 0.00 C ATOM 179 CG PRO A 15 -0.324 -4.364 -9.817 1.00 0.00 C ATOM 180 CD PRO A 15 0.288 -5.519 -9.074 1.00 0.00 C ATOM 0 HA PRO A 15 -0.558 -3.568 -6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.389 -2.651 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.311 -2.670 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.254 -4.660 -10.301 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.344 -4.007 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.005 -6.476 -9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.377 -5.479 -9.096 1.00 0.00 H new ATOM 188 N PRO A 16 -2.897 -3.948 -6.129 1.00 0.00 N ATOM 189 CA PRO A 16 -4.327 -4.038 -5.815 1.00 0.00 C ATOM 190 C PRO A 16 -5.138 -2.934 -6.484 1.00 0.00 C ATOM 191 O PRO A 16 -4.585 -1.935 -6.943 1.00 0.00 O ATOM 192 CB PRO A 16 -4.365 -3.883 -4.293 1.00 0.00 C ATOM 193 CG PRO A 16 -3.132 -3.120 -3.958 1.00 0.00 C ATOM 194 CD PRO A 16 -2.096 -3.545 -4.962 1.00 0.00 C ATOM 0 HA PRO A 16 -4.766 -4.969 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.260 -3.350 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.377 -4.853 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.311 -2.046 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.803 -3.337 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.414 -2.730 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.488 -4.369 -4.588 1.00 0.00 H new ATOM 202 N ASP A 17 -6.453 -3.122 -6.536 1.00 0.00 N ATOM 203 CA ASP A 17 -7.341 -2.140 -7.148 1.00 0.00 C ATOM 204 C ASP A 17 -8.140 -1.394 -6.085 1.00 0.00 C ATOM 205 O ASP A 17 -8.934 -1.992 -5.358 1.00 0.00 O ATOM 206 CB ASP A 17 -8.291 -2.825 -8.132 1.00 0.00 C ATOM 207 CG ASP A 17 -8.911 -1.848 -9.112 1.00 0.00 C ATOM 208 OD1 ASP A 17 -8.359 -0.740 -9.275 1.00 0.00 O ATOM 209 OD2 ASP A 17 -9.950 -2.191 -9.715 1.00 0.00 O ATOM 0 H ASP A 17 -6.927 -3.944 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.729 -1.418 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.748 -3.593 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.082 -3.330 -7.577 1.00 0.00 H new ATOM 214 N ILE A 18 -7.925 -0.086 -5.999 1.00 0.00 N ATOM 215 CA ILE A 18 -8.626 0.741 -5.025 1.00 0.00 C ATOM 216 C ILE A 18 -9.892 1.343 -5.624 1.00 0.00 C ATOM 217 O ILE A 18 -10.728 1.895 -4.908 1.00 0.00 O ATOM 218 CB ILE A 18 -7.728 1.878 -4.503 1.00 0.00 C ATOM 219 CG1 ILE A 18 -6.280 1.401 -4.384 1.00 0.00 C ATOM 220 CG2 ILE A 18 -8.238 2.381 -3.160 1.00 0.00 C ATOM 221 CD1 ILE A 18 -6.093 0.279 -3.386 1.00 0.00 C ATOM 0 H ILE A 18 -7.271 0.424 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.895 0.090 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.761 2.703 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.934 1.067 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.651 2.243 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.593 3.184 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.255 2.756 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.231 1.564 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.042 -0.008 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.407 0.615 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.695 -0.579 -3.686 1.00 0.00 H new ATOM 233 N GLN A 19 -10.029 1.231 -6.941 1.00 0.00 N ATOM 234 CA GLN A 19 -11.195 1.763 -7.636 1.00 0.00 C ATOM 235 C GLN A 19 -12.485 1.226 -7.026 1.00 0.00 C ATOM 236 O GLN A 19 -13.439 1.965 -6.781 1.00 0.00 O ATOM 237 CB GLN A 19 -11.134 1.408 -9.123 1.00 0.00 C ATOM 238 CG GLN A 19 -10.477 2.480 -9.978 1.00 0.00 C ATOM 239 CD GLN A 19 -11.430 3.599 -10.346 1.00 0.00 C ATOM 240 OE1 GLN A 19 -12.107 3.540 -11.374 1.00 0.00 O ATOM 241 NE2 GLN A 19 -11.489 4.627 -9.509 1.00 0.00 N ATOM 0 H GLN A 19 -9.347 0.777 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.188 2.848 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.586 0.473 -9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.146 1.233 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.625 2.896 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.088 2.025 -10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.910 4.635 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.113 5.410 -9.706 1.00 0.00 H new ATOM 250 N PRO A 20 -12.518 -0.091 -6.773 1.00 0.00 N ATOM 251 CA PRO A 20 -13.685 -0.756 -6.187 1.00 0.00 C ATOM 252 C PRO A 20 -14.220 -0.019 -4.965 1.00 0.00 C ATOM 253 O PRO A 20 -15.432 0.106 -4.783 1.00 0.00 O ATOM 254 CB PRO A 20 -13.146 -2.132 -5.789 1.00 0.00 C ATOM 255 CG PRO A 20 -11.999 -2.372 -6.709 1.00 0.00 C ATOM 256 CD PRO A 20 -11.417 -1.032 -7.040 1.00 0.00 C ATOM 0 HA PRO A 20 -14.523 -0.796 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.827 -2.146 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.909 -2.903 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.253 -3.011 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.330 -2.883 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.545 -0.812 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.093 -0.983 -8.080 1.00 0.00 H new ATOM 264 N LEU A 21 -13.310 0.470 -4.130 1.00 0.00 N ATOM 265 CA LEU A 21 -13.690 1.196 -2.924 1.00 0.00 C ATOM 266 C LEU A 21 -13.918 2.674 -3.227 1.00 0.00 C ATOM 267 O LEU A 21 -14.776 3.315 -2.621 1.00 0.00 O ATOM 268 CB LEU A 21 -12.610 1.045 -1.851 1.00 0.00 C ATOM 269 CG LEU A 21 -12.024 -0.356 -1.682 1.00 0.00 C ATOM 270 CD1 LEU A 21 -10.601 -0.281 -1.150 1.00 0.00 C ATOM 271 CD2 LEU A 21 -12.897 -1.191 -0.755 1.00 0.00 C ATOM 0 H LEU A 21 -12.303 0.377 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.623 0.771 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.796 1.732 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.029 1.360 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.999 -0.838 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.201 -1.289 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.980 0.279 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.600 0.221 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.465 -2.186 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.953 -0.711 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.899 -1.275 -1.176 1.00 0.00 H new ATOM 283 N GLU A 22 -13.147 3.205 -4.170 1.00 0.00 N ATOM 284 CA GLU A 22 -13.267 4.606 -4.554 1.00 0.00 C ATOM 285 C GLU A 22 -14.677 4.915 -5.051 1.00 0.00 C ATOM 286 O GLU A 22 -15.281 5.912 -4.655 1.00 0.00 O ATOM 287 CB GLU A 22 -12.245 4.950 -5.640 1.00 0.00 C ATOM 288 CG GLU A 22 -10.817 5.037 -5.127 1.00 0.00 C ATOM 289 CD GLU A 22 -9.964 5.994 -5.936 1.00 0.00 C ATOM 290 OE1 GLU A 22 -10.280 6.212 -7.125 1.00 0.00 O ATOM 291 OE2 GLU A 22 -8.981 6.526 -5.380 1.00 0.00 O ATOM 0 H GLU A 22 -12.433 2.687 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.069 5.216 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.295 4.196 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.517 5.902 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.828 5.358 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.365 4.045 -5.150 1.00 0.00 H new ATOM 298 N ARG A 23 -15.194 4.054 -5.920 1.00 0.00 N ATOM 299 CA ARG A 23 -16.531 4.235 -6.473 1.00 0.00 C ATOM 300 C ARG A 23 -17.592 4.093 -5.386 1.00 0.00 C ATOM 301 O ARG A 23 -18.367 5.016 -5.135 1.00 0.00 O ATOM 302 CB ARG A 23 -16.787 3.218 -7.586 1.00 0.00 C ATOM 303 CG ARG A 23 -16.300 3.676 -8.952 1.00 0.00 C ATOM 304 CD ARG A 23 -16.873 2.813 -10.065 1.00 0.00 C ATOM 305 NE ARG A 23 -18.305 3.032 -10.245 1.00 0.00 N ATOM 306 CZ ARG A 23 -18.950 2.782 -11.379 1.00 0.00 C ATOM 307 NH1 ARG A 23 -18.294 2.306 -12.428 1.00 0.00 N ATOM 308 NH2 ARG A 23 -20.255 3.008 -11.466 1.00 0.00 N ATOM 0 H ARG A 23 -14.707 3.223 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.593 5.241 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.295 2.280 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.856 3.013 -7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.586 4.716 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.211 3.637 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.353 3.032 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.693 1.762 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.840 3.397 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.291 2.131 -12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.792 2.115 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.764 3.374 -10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.749 2.816 -12.337 1.00 0.00 H new ATOM 322 N TYR A 24 -17.622 2.930 -4.743 1.00 0.00 N ATOM 323 CA TYR A 24 -18.589 2.665 -3.685 1.00 0.00 C ATOM 324 C TYR A 24 -18.621 3.810 -2.677 1.00 0.00 C ATOM 325 O TYR A 24 -19.668 4.125 -2.112 1.00 0.00 O ATOM 326 CB TYR A 24 -18.252 1.354 -2.973 1.00 0.00 C ATOM 327 CG TYR A 24 -19.368 0.838 -2.093 1.00 0.00 C ATOM 328 CD1 TYR A 24 -20.463 0.181 -2.640 1.00 0.00 C ATOM 329 CD2 TYR A 24 -19.327 1.007 -0.715 1.00 0.00 C ATOM 330 CE1 TYR A 24 -21.486 -0.291 -1.840 1.00 0.00 C ATOM 331 CE2 TYR A 24 -20.345 0.537 0.093 1.00 0.00 C ATOM 332 CZ TYR A 24 -21.422 -0.110 -0.474 1.00 0.00 C ATOM 333 OH TYR A 24 -22.438 -0.581 0.326 1.00 0.00 O ATOM 0 H TYR A 24 -16.987 2.156 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 24 -19.575 2.579 -4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.010 0.597 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -17.359 1.500 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.516 0.037 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.485 1.514 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -22.331 -0.799 -2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -20.297 0.676 1.163 1.00 0.00 H new ATOM 0 HH TYR A 24 -22.061 -0.941 1.156 1.00 0.00 H new ATOM 343 N TRP A 25 -17.467 4.430 -2.459 1.00 0.00 N ATOM 344 CA TRP A 25 -17.362 5.541 -1.520 1.00 0.00 C ATOM 345 C TRP A 25 -17.946 6.816 -2.119 1.00 0.00 C ATOM 346 O TRP A 25 -18.760 7.492 -1.490 1.00 0.00 O ATOM 347 CB TRP A 25 -15.901 5.769 -1.129 1.00 0.00 C ATOM 348 CG TRP A 25 -15.713 6.902 -0.166 1.00 0.00 C ATOM 349 CD1 TRP A 25 -15.220 8.143 -0.447 1.00 0.00 C ATOM 350 CD2 TRP A 25 -16.015 6.895 1.234 1.00 0.00 C ATOM 351 NE1 TRP A 25 -15.196 8.909 0.694 1.00 0.00 N ATOM 352 CE2 TRP A 25 -15.680 8.167 1.738 1.00 0.00 C ATOM 353 CE3 TRP A 25 -16.538 5.939 2.109 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -15.850 8.504 3.078 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -16.705 6.276 3.439 1.00 0.00 C ATOM 356 CH2 TRP A 25 -16.364 7.550 3.914 1.00 0.00 C ATOM 0 H TRP A 25 -16.591 4.182 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 25 -17.934 5.286 -0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -15.504 4.856 -0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.318 5.966 -2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -14.896 8.475 -1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -14.870 9.874 0.753 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -16.807 4.955 1.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.585 9.485 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.106 5.544 4.125 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -16.509 7.783 4.958 1.00 0.00 H new ATOM 367 N ALA A 26 -17.524 7.140 -3.337 1.00 0.00 N ATOM 368 CA ALA A 26 -18.008 8.334 -4.020 1.00 0.00 C ATOM 369 C ALA A 26 -19.481 8.195 -4.390 1.00 0.00 C ATOM 370 O ALA A 26 -20.159 9.187 -4.656 1.00 0.00 O ATOM 371 CB ALA A 26 -17.173 8.604 -5.263 1.00 0.00 C ATOM 0 H ALA A 26 -16.849 6.593 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.910 9.179 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.545 9.498 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.132 8.755 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.243 7.753 -5.940 1.00 0.00 H new ATOM 377 N ALA A 27 -19.969 6.959 -4.404 1.00 0.00 N ATOM 378 CA ALA A 27 -21.362 6.692 -4.740 1.00 0.00 C ATOM 379 C ALA A 27 -22.217 6.574 -3.483 1.00 0.00 C ATOM 380 O ALA A 27 -23.228 7.263 -3.340 1.00 0.00 O ATOM 381 CB ALA A 27 -21.471 5.426 -5.575 1.00 0.00 C ATOM 0 H ALA A 27 -19.420 6.127 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 27 -21.736 7.532 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.517 5.239 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.900 5.547 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -21.074 4.582 -5.010 1.00 0.00 H new ATOM 387 N HIS A 28 -21.806 5.695 -2.573 1.00 0.00 N ATOM 388 CA HIS A 28 -22.534 5.487 -1.328 1.00 0.00 C ATOM 389 C HIS A 28 -21.972 6.367 -0.215 1.00 0.00 C ATOM 390 O HIS A 28 -22.722 7.015 0.514 1.00 0.00 O ATOM 391 CB HIS A 28 -22.468 4.016 -0.914 1.00 0.00 C ATOM 392 CG HIS A 28 -22.799 3.066 -2.024 1.00 0.00 C ATOM 393 ND1 HIS A 28 -23.856 2.182 -1.968 1.00 0.00 N ATOM 394 CD2 HIS A 28 -22.205 2.866 -3.223 1.00 0.00 C ATOM 395 CE1 HIS A 28 -23.897 1.478 -3.085 1.00 0.00 C ATOM 396 NE2 HIS A 28 -22.906 1.873 -3.864 1.00 0.00 N ATOM 0 H HIS A 28 -20.973 5.116 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.575 5.764 -1.494 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.466 3.796 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.157 3.849 -0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.341 3.389 -3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -24.618 0.710 -3.321 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -22.695 1.501 -4.790 1.00 0.00 H new ATOM 405 N GLN A 29 -20.649 6.382 -0.092 1.00 0.00 N ATOM 406 CA GLN A 29 -19.988 7.181 0.933 1.00 0.00 C ATOM 407 C GLN A 29 -20.182 6.564 2.314 1.00 0.00 C ATOM 408 O GLN A 29 -20.161 7.266 3.325 1.00 0.00 O ATOM 409 CB GLN A 29 -20.526 8.613 0.920 1.00 0.00 C ATOM 410 CG GLN A 29 -19.538 9.640 1.448 1.00 0.00 C ATOM 411 CD GLN A 29 -18.634 10.191 0.362 1.00 0.00 C ATOM 412 OE1 GLN A 29 -18.830 11.308 -0.116 1.00 0.00 O ATOM 413 NE2 GLN A 29 -17.636 9.409 -0.031 1.00 0.00 N ATOM 0 H GLN A 29 -20.014 5.851 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.921 7.200 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -20.803 8.879 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.436 8.656 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.085 10.461 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.927 9.184 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.511 8.490 0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.994 9.727 -0.757 1.00 0.00 H new ATOM 422 N GLN A 30 -20.370 5.249 2.347 1.00 0.00 N ATOM 423 CA GLN A 30 -20.569 4.538 3.605 1.00 0.00 C ATOM 424 C GLN A 30 -20.051 3.107 3.510 1.00 0.00 C ATOM 425 O GLN A 30 -20.035 2.512 2.432 1.00 0.00 O ATOM 426 CB GLN A 30 -22.051 4.533 3.983 1.00 0.00 C ATOM 427 CG GLN A 30 -22.713 5.897 3.871 1.00 0.00 C ATOM 428 CD GLN A 30 -24.106 5.920 4.469 1.00 0.00 C ATOM 429 OE1 GLN A 30 -24.285 6.256 5.641 1.00 0.00 O ATOM 430 NE2 GLN A 30 -25.101 5.565 3.667 1.00 0.00 N ATOM 0 H GLN A 30 -20.389 4.655 1.518 1.00 0.00 H new ATOM 0 HA GLN A 30 -20.005 5.058 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -22.579 3.829 3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -22.155 4.171 5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.094 6.640 4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -22.767 6.185 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -24.907 5.294 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -26.060 5.563 4.014 1.00 0.00 H new ATOM 439 N LEU A 31 -19.626 2.561 4.643 1.00 0.00 N ATOM 440 CA LEU A 31 -19.106 1.198 4.688 1.00 0.00 C ATOM 441 C LEU A 31 -20.073 0.271 5.417 1.00 0.00 C ATOM 442 O LEU A 31 -20.758 0.682 6.353 1.00 0.00 O ATOM 443 CB LEU A 31 -17.741 1.175 5.378 1.00 0.00 C ATOM 444 CG LEU A 31 -17.069 -0.195 5.488 1.00 0.00 C ATOM 445 CD1 LEU A 31 -16.582 -0.661 4.125 1.00 0.00 C ATOM 446 CD2 LEU A 31 -15.915 -0.143 6.480 1.00 0.00 C ATOM 0 H LEU A 31 -19.631 3.040 5.543 1.00 0.00 H new ATOM 0 HA LEU A 31 -18.994 0.843 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.071 1.844 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.857 1.583 6.382 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.804 -0.912 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.107 -1.637 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.428 -0.736 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.861 0.056 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.448 -1.126 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.179 0.587 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.291 0.147 7.461 1.00 0.00 H new ATOM 458 N ARG A 32 -20.122 -0.985 4.982 1.00 0.00 N ATOM 459 CA ARG A 32 -21.003 -1.971 5.594 1.00 0.00 C ATOM 460 C ARG A 32 -20.296 -3.315 5.742 1.00 0.00 C ATOM 461 O ARG A 32 -19.680 -3.810 4.798 1.00 0.00 O ATOM 462 CB ARG A 32 -22.272 -2.141 4.757 1.00 0.00 C ATOM 463 CG ARG A 32 -23.000 -0.835 4.483 1.00 0.00 C ATOM 464 CD ARG A 32 -24.427 -1.080 4.018 1.00 0.00 C ATOM 465 NE ARG A 32 -25.318 0.019 4.381 1.00 0.00 N ATOM 466 CZ ARG A 32 -26.562 0.137 3.930 1.00 0.00 C ATOM 467 NH1 ARG A 32 -27.060 -0.772 3.104 1.00 0.00 N ATOM 468 NH2 ARG A 32 -27.310 1.166 4.306 1.00 0.00 N ATOM 0 H ARG A 32 -19.562 -1.342 4.208 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.275 -1.611 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.011 -2.608 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.948 -2.823 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.010 -0.226 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.461 -0.269 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.438 -1.213 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.797 -2.007 4.457 1.00 0.00 H new ATOM 0 HE ARG A 32 -24.966 0.735 5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.488 -1.565 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -28.015 -0.679 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -26.930 1.867 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.265 1.256 3.959 1.00 0.00 H new ATOM 482 N GLU A 33 -20.388 -3.900 6.932 1.00 0.00 N ATOM 483 CA GLU A 33 -19.755 -5.185 7.203 1.00 0.00 C ATOM 484 C GLU A 33 -20.025 -6.173 6.072 1.00 0.00 C ATOM 485 O GLU A 33 -19.256 -7.110 5.854 1.00 0.00 O ATOM 486 CB GLU A 33 -20.263 -5.760 8.528 1.00 0.00 C ATOM 487 CG GLU A 33 -19.566 -5.183 9.749 1.00 0.00 C ATOM 488 CD GLU A 33 -18.327 -5.966 10.138 1.00 0.00 C ATOM 489 OE1 GLU A 33 -17.717 -6.591 9.246 1.00 0.00 O ATOM 490 OE2 GLU A 33 -17.970 -5.956 11.334 1.00 0.00 O ATOM 0 H GLU A 33 -20.895 -3.504 7.724 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.679 -5.023 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.334 -5.573 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.128 -6.842 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.289 -4.148 9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.262 -5.171 10.588 1.00 0.00 H new ATOM 497 N THR A 34 -21.121 -5.957 5.353 1.00 0.00 N ATOM 498 CA THR A 34 -21.494 -6.828 4.245 1.00 0.00 C ATOM 499 C THR A 34 -20.673 -6.514 3.000 1.00 0.00 C ATOM 500 O THR A 34 -20.295 -7.415 2.250 1.00 0.00 O ATOM 501 CB THR A 34 -22.990 -6.696 3.906 1.00 0.00 C ATOM 502 OG1 THR A 34 -23.783 -7.225 4.975 1.00 0.00 O ATOM 503 CG2 THR A 34 -23.319 -7.428 2.613 1.00 0.00 C ATOM 0 H THR A 34 -21.767 -5.185 5.518 1.00 0.00 H new ATOM 0 HA THR A 34 -21.290 -7.850 4.564 1.00 0.00 H new ATOM 0 HB THR A 34 -23.218 -5.638 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.733 -7.136 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.381 -7.321 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 34 -22.736 -7.004 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 34 -23.076 -8.485 2.721 1.00 0.00 H new ATOM 511 N ASP A 35 -20.399 -5.232 2.784 1.00 0.00 N ATOM 512 CA ASP A 35 -19.621 -4.800 1.630 1.00 0.00 C ATOM 513 C ASP A 35 -18.127 -4.835 1.937 1.00 0.00 C ATOM 514 O ASP A 35 -17.295 -4.712 1.038 1.00 0.00 O ATOM 515 CB ASP A 35 -20.034 -3.388 1.208 1.00 0.00 C ATOM 516 CG ASP A 35 -19.717 -2.352 2.268 1.00 0.00 C ATOM 517 OD1 ASP A 35 -18.679 -2.495 2.946 1.00 0.00 O ATOM 518 OD2 ASP A 35 -20.509 -1.397 2.420 1.00 0.00 O ATOM 0 H ASP A 35 -20.705 -4.474 3.394 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.822 -5.489 0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.523 -3.124 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.103 -3.373 0.997 1.00 0.00 H new ATOM 523 N ILE A 36 -17.795 -5.001 3.213 1.00 0.00 N ATOM 524 CA ILE A 36 -16.402 -5.052 3.639 1.00 0.00 C ATOM 525 C ILE A 36 -15.657 -6.189 2.949 1.00 0.00 C ATOM 526 O ILE A 36 -14.663 -5.981 2.252 1.00 0.00 O ATOM 527 CB ILE A 36 -16.284 -5.229 5.164 1.00 0.00 C ATOM 528 CG1 ILE A 36 -16.219 -3.865 5.855 1.00 0.00 C ATOM 529 CG2 ILE A 36 -15.060 -6.063 5.509 1.00 0.00 C ATOM 530 CD1 ILE A 36 -16.201 -3.952 7.364 1.00 0.00 C ATOM 0 H ILE A 36 -18.472 -5.102 3.970 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.952 -4.100 3.356 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.169 -5.755 5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.325 -3.339 5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.076 -3.268 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.991 -6.178 6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.146 -7.045 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.164 -5.564 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.154 -2.948 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.107 -4.450 7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.329 -4.521 7.685 1.00 0.00 H new ATOM 542 N PRO A 37 -16.148 -7.423 3.142 1.00 0.00 N ATOM 543 CA PRO A 37 -15.546 -8.617 2.543 1.00 0.00 C ATOM 544 C PRO A 37 -15.742 -8.671 1.032 1.00 0.00 C ATOM 545 O PRO A 37 -14.850 -9.095 0.298 1.00 0.00 O ATOM 546 CB PRO A 37 -16.295 -9.768 3.221 1.00 0.00 C ATOM 547 CG PRO A 37 -17.605 -9.184 3.622 1.00 0.00 C ATOM 548 CD PRO A 37 -17.330 -7.744 3.958 1.00 0.00 C ATOM 0 HA PRO A 37 -14.466 -8.646 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.428 -10.609 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -15.747 -10.142 4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.332 -9.264 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.022 -9.712 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -18.176 -7.104 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.132 -7.610 5.022 1.00 0.00 H new ATOM 556 N GLN A 38 -16.912 -8.238 0.576 1.00 0.00 N ATOM 557 CA GLN A 38 -17.224 -8.237 -0.849 1.00 0.00 C ATOM 558 C GLN A 38 -16.294 -7.296 -1.609 1.00 0.00 C ATOM 559 O GLN A 38 -15.781 -7.640 -2.674 1.00 0.00 O ATOM 560 CB GLN A 38 -18.679 -7.825 -1.074 1.00 0.00 C ATOM 561 CG GLN A 38 -19.078 -7.774 -2.540 1.00 0.00 C ATOM 562 CD GLN A 38 -20.344 -6.975 -2.773 1.00 0.00 C ATOM 563 OE1 GLN A 38 -21.343 -7.155 -2.076 1.00 0.00 O ATOM 564 NE2 GLN A 38 -20.310 -6.084 -3.758 1.00 0.00 N ATOM 0 H GLN A 38 -17.660 -7.883 1.172 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.077 -9.249 -1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.331 -8.526 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -18.843 -6.844 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.265 -7.336 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -19.221 -8.790 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.461 -5.967 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.133 -5.517 -3.961 1.00 0.00 H new ATOM 573 N LEU A 39 -16.081 -6.108 -1.054 1.00 0.00 N ATOM 574 CA LEU A 39 -15.212 -5.117 -1.680 1.00 0.00 C ATOM 575 C LEU A 39 -13.749 -5.534 -1.578 1.00 0.00 C ATOM 576 O LEU A 39 -13.000 -5.451 -2.552 1.00 0.00 O ATOM 577 CB LEU A 39 -15.411 -3.749 -1.024 1.00 0.00 C ATOM 578 CG LEU A 39 -16.713 -3.023 -1.367 1.00 0.00 C ATOM 579 CD1 LEU A 39 -16.971 -1.897 -0.378 1.00 0.00 C ATOM 580 CD2 LEU A 39 -16.664 -2.485 -2.790 1.00 0.00 C ATOM 0 H LEU A 39 -16.497 -5.808 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.479 -5.050 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.364 -3.877 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.576 -3.108 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.535 -3.736 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.901 -1.391 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.049 -2.308 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.148 -1.184 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.598 -1.972 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.833 -1.786 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.526 -3.312 -3.487 1.00 0.00 H new ATOM 592 N SER A 40 -13.347 -5.985 -0.394 1.00 0.00 N ATOM 593 CA SER A 40 -11.973 -6.414 -0.165 1.00 0.00 C ATOM 594 C SER A 40 -11.530 -7.413 -1.230 1.00 0.00 C ATOM 595 O SER A 40 -10.391 -7.377 -1.695 1.00 0.00 O ATOM 596 CB SER A 40 -11.835 -7.040 1.224 1.00 0.00 C ATOM 597 OG SER A 40 -10.480 -7.081 1.634 1.00 0.00 O ATOM 0 H SER A 40 -13.954 -6.063 0.422 1.00 0.00 H new ATOM 0 HA SER A 40 -11.331 -5.535 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.419 -6.466 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.245 -8.050 1.213 1.00 0.00 H new ATOM 0 HG SER A 40 -10.020 -7.811 1.170 1.00 0.00 H new ATOM 603 N GLN A 41 -12.441 -8.304 -1.612 1.00 0.00 N ATOM 604 CA GLN A 41 -12.145 -9.312 -2.622 1.00 0.00 C ATOM 605 C GLN A 41 -11.944 -8.671 -3.991 1.00 0.00 C ATOM 606 O GLN A 41 -11.186 -9.177 -4.818 1.00 0.00 O ATOM 607 CB GLN A 41 -13.275 -10.342 -2.690 1.00 0.00 C ATOM 608 CG GLN A 41 -13.183 -11.418 -1.620 1.00 0.00 C ATOM 609 CD GLN A 41 -12.094 -12.433 -1.904 1.00 0.00 C ATOM 610 OE1 GLN A 41 -10.953 -12.275 -1.469 1.00 0.00 O ATOM 611 NE2 GLN A 41 -12.440 -13.483 -2.640 1.00 0.00 N ATOM 0 H GLN A 41 -13.389 -8.347 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.220 -9.814 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.231 -9.827 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.265 -10.816 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.994 -10.949 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.141 -11.931 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.397 -13.574 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.748 -14.198 -2.865 1.00 0.00 H new ATOM 620 N ALA A 42 -12.626 -7.555 -4.221 1.00 0.00 N ATOM 621 CA ALA A 42 -12.520 -6.842 -5.489 1.00 0.00 C ATOM 622 C ALA A 42 -11.198 -6.088 -5.587 1.00 0.00 C ATOM 623 O ALA A 42 -10.547 -6.091 -6.630 1.00 0.00 O ATOM 624 CB ALA A 42 -13.690 -5.885 -5.656 1.00 0.00 C ATOM 0 H ALA A 42 -13.258 -7.124 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.549 -7.577 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.598 -5.360 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.624 -6.446 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.688 -5.162 -4.840 1.00 0.00 H new ATOM 630 N SER A 43 -10.810 -5.442 -4.491 1.00 0.00 N ATOM 631 CA SER A 43 -9.568 -4.679 -4.455 1.00 0.00 C ATOM 632 C SER A 43 -8.376 -5.592 -4.178 1.00 0.00 C ATOM 633 O SER A 43 -7.235 -5.137 -4.104 1.00 0.00 O ATOM 634 CB SER A 43 -9.646 -3.587 -3.387 1.00 0.00 C ATOM 635 OG SER A 43 -9.823 -4.147 -2.097 1.00 0.00 O ATOM 0 H SER A 43 -11.337 -5.432 -3.618 1.00 0.00 H new ATOM 0 HA SER A 43 -9.429 -4.214 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.734 -2.990 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.473 -2.913 -3.611 1.00 0.00 H new ATOM 0 HG SER A 43 -10.569 -3.699 -1.646 1.00 0.00 H new ATOM 641 N ARG A 44 -8.652 -6.884 -4.026 1.00 0.00 N ATOM 642 CA ARG A 44 -7.605 -7.861 -3.756 1.00 0.00 C ATOM 643 C ARG A 44 -6.890 -7.545 -2.446 1.00 0.00 C ATOM 644 O ARG A 44 -5.692 -7.795 -2.304 1.00 0.00 O ATOM 645 CB ARG A 44 -6.598 -7.891 -4.906 1.00 0.00 C ATOM 646 CG ARG A 44 -7.080 -8.669 -6.120 1.00 0.00 C ATOM 647 CD ARG A 44 -7.923 -7.800 -7.040 1.00 0.00 C ATOM 648 NE ARG A 44 -8.416 -8.544 -8.195 1.00 0.00 N ATOM 649 CZ ARG A 44 -7.695 -8.764 -9.290 1.00 0.00 C ATOM 650 NH1 ARG A 44 -6.457 -8.299 -9.376 1.00 0.00 N ATOM 651 NH2 ARG A 44 -8.214 -9.450 -10.300 1.00 0.00 N ATOM 0 H ARG A 44 -9.591 -7.277 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.072 -8.842 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.373 -6.868 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.666 -8.331 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.222 -9.057 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.665 -9.529 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.767 -7.395 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.330 -6.952 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.365 -8.915 -8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.056 -7.771 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.906 -8.469 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.167 -9.809 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.660 -9.618 -11.140 1.00 0.00 H new ATOM 665 N LEU A 45 -7.631 -6.992 -1.492 1.00 0.00 N ATOM 666 CA LEU A 45 -7.067 -6.641 -0.193 1.00 0.00 C ATOM 667 C LEU A 45 -7.635 -7.534 0.906 1.00 0.00 C ATOM 668 O LEU A 45 -8.422 -8.441 0.638 1.00 0.00 O ATOM 669 CB LEU A 45 -7.354 -5.173 0.128 1.00 0.00 C ATOM 670 CG LEU A 45 -6.933 -4.158 -0.936 1.00 0.00 C ATOM 671 CD1 LEU A 45 -7.646 -2.833 -0.721 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.424 -3.964 -0.919 1.00 0.00 C ATOM 0 H LEU A 45 -8.623 -6.777 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.989 -6.793 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.424 -5.063 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.851 -4.921 1.061 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.218 -4.545 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.334 -2.123 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.723 -2.985 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.393 -2.439 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.142 -3.239 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.115 -3.599 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.933 -4.915 -1.123 1.00 0.00 H new ATOM 684 N SER A 46 -7.230 -7.268 2.144 1.00 0.00 N ATOM 685 CA SER A 46 -7.697 -8.048 3.284 1.00 0.00 C ATOM 686 C SER A 46 -8.886 -7.370 3.957 1.00 0.00 C ATOM 687 O SER A 46 -9.118 -6.173 3.778 1.00 0.00 O ATOM 688 CB SER A 46 -6.566 -8.239 4.296 1.00 0.00 C ATOM 689 OG SER A 46 -6.569 -7.205 5.266 1.00 0.00 O ATOM 0 H SER A 46 -6.580 -6.519 2.383 1.00 0.00 H new ATOM 0 HA SER A 46 -8.017 -9.023 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.675 -9.205 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.608 -8.252 3.777 1.00 0.00 H new ATOM 0 HG SER A 46 -5.838 -7.351 5.902 1.00 0.00 H new ATOM 695 N THR A 47 -9.640 -8.143 4.733 1.00 0.00 N ATOM 696 CA THR A 47 -10.807 -7.618 5.432 1.00 0.00 C ATOM 697 C THR A 47 -10.450 -6.381 6.246 1.00 0.00 C ATOM 698 O THR A 47 -11.283 -5.497 6.445 1.00 0.00 O ATOM 699 CB THR A 47 -11.421 -8.675 6.369 1.00 0.00 C ATOM 700 OG1 THR A 47 -11.339 -9.972 5.766 1.00 0.00 O ATOM 701 CG2 THR A 47 -12.875 -8.346 6.677 1.00 0.00 C ATOM 0 H THR A 47 -9.463 -9.135 4.893 1.00 0.00 H new ATOM 0 HA THR A 47 -11.538 -7.349 4.670 1.00 0.00 H new ATOM 0 HB THR A 47 -10.858 -8.672 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.730 -10.638 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.287 -9.106 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.933 -7.371 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.447 -8.324 5.750 1.00 0.00 H new ATOM 709 N GLN A 48 -9.206 -6.323 6.713 1.00 0.00 N ATOM 710 CA GLN A 48 -8.740 -5.191 7.505 1.00 0.00 C ATOM 711 C GLN A 48 -8.361 -4.018 6.608 1.00 0.00 C ATOM 712 O GLN A 48 -8.673 -2.867 6.911 1.00 0.00 O ATOM 713 CB GLN A 48 -7.542 -5.602 8.364 1.00 0.00 C ATOM 714 CG GLN A 48 -6.997 -4.475 9.225 1.00 0.00 C ATOM 715 CD GLN A 48 -7.723 -4.349 10.550 1.00 0.00 C ATOM 716 OE1 GLN A 48 -7.331 -4.958 11.546 1.00 0.00 O ATOM 717 NE2 GLN A 48 -8.788 -3.556 10.569 1.00 0.00 N ATOM 0 H GLN A 48 -8.504 -7.046 6.556 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.554 -4.876 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.835 -6.431 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.748 -5.968 7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.937 -4.645 9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.078 -3.535 8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.077 -3.070 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.317 -3.432 11.433 1.00 0.00 H new ATOM 726 N GLN A 49 -7.685 -4.318 5.504 1.00 0.00 N ATOM 727 CA GLN A 49 -7.262 -3.287 4.563 1.00 0.00 C ATOM 728 C GLN A 49 -8.419 -2.355 4.221 1.00 0.00 C ATOM 729 O GLN A 49 -8.312 -1.137 4.366 1.00 0.00 O ATOM 730 CB GLN A 49 -6.711 -3.926 3.288 1.00 0.00 C ATOM 731 CG GLN A 49 -5.298 -4.466 3.438 1.00 0.00 C ATOM 732 CD GLN A 49 -4.240 -3.437 3.093 1.00 0.00 C ATOM 733 OE1 GLN A 49 -3.831 -2.642 3.940 1.00 0.00 O ATOM 734 NE2 GLN A 49 -3.790 -3.447 1.844 1.00 0.00 N ATOM 0 H GLN A 49 -7.418 -5.266 5.239 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.475 -2.700 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.371 -4.739 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.725 -3.188 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.149 -4.804 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.176 -5.337 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.157 -4.124 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.077 -2.778 1.553 1.00 0.00 H new ATOM 743 N VAL A 50 -9.525 -2.935 3.766 1.00 0.00 N ATOM 744 CA VAL A 50 -10.703 -2.156 3.403 1.00 0.00 C ATOM 745 C VAL A 50 -11.211 -1.344 4.589 1.00 0.00 C ATOM 746 O VAL A 50 -11.609 -0.187 4.439 1.00 0.00 O ATOM 747 CB VAL A 50 -11.838 -3.060 2.890 1.00 0.00 C ATOM 748 CG1 VAL A 50 -13.122 -2.263 2.719 1.00 0.00 C ATOM 749 CG2 VAL A 50 -11.438 -3.728 1.583 1.00 0.00 C ATOM 0 H VAL A 50 -9.630 -3.942 3.640 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.400 -1.478 2.605 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.019 -3.840 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.912 -2.920 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.416 -1.837 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.959 -1.460 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.252 -4.363 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.228 -2.965 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.547 -4.335 1.743 1.00 0.00 H new ATOM 759 N LEU A 51 -11.195 -1.956 5.768 1.00 0.00 N ATOM 760 CA LEU A 51 -11.654 -1.290 6.982 1.00 0.00 C ATOM 761 C LEU A 51 -10.871 -0.004 7.227 1.00 0.00 C ATOM 762 O LEU A 51 -11.440 1.018 7.610 1.00 0.00 O ATOM 763 CB LEU A 51 -11.513 -2.224 8.184 1.00 0.00 C ATOM 764 CG LEU A 51 -12.699 -3.150 8.459 1.00 0.00 C ATOM 765 CD1 LEU A 51 -12.268 -4.332 9.312 1.00 0.00 C ATOM 766 CD2 LEU A 51 -13.827 -2.384 9.136 1.00 0.00 C ATOM 0 H LEU A 51 -10.869 -2.912 5.909 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.705 -1.034 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.624 -2.838 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.339 -1.616 9.072 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.066 -3.532 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.125 -4.979 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.494 -4.895 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.875 -3.971 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.663 -3.058 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.472 -1.973 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.155 -1.571 8.488 1.00 0.00 H new ATOM 778 N ASP A 52 -9.563 -0.063 7.003 1.00 0.00 N ATOM 779 CA ASP A 52 -8.701 1.097 7.196 1.00 0.00 C ATOM 780 C ASP A 52 -8.905 2.118 6.082 1.00 0.00 C ATOM 781 O ASP A 52 -8.759 3.322 6.294 1.00 0.00 O ATOM 782 CB ASP A 52 -7.234 0.666 7.248 1.00 0.00 C ATOM 783 CG ASP A 52 -6.392 1.580 8.116 1.00 0.00 C ATOM 784 OD1 ASP A 52 -6.094 2.710 7.676 1.00 0.00 O ATOM 785 OD2 ASP A 52 -6.033 1.166 9.239 1.00 0.00 O ATOM 0 H ASP A 52 -9.076 -0.902 6.688 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.969 1.563 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.171 -0.353 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.826 0.653 6.237 1.00 0.00 H new ATOM 790 N TRP A 53 -9.244 1.630 4.894 1.00 0.00 N ATOM 791 CA TRP A 53 -9.468 2.500 3.746 1.00 0.00 C ATOM 792 C TRP A 53 -10.631 3.452 4.001 1.00 0.00 C ATOM 793 O TRP A 53 -10.493 4.667 3.866 1.00 0.00 O ATOM 794 CB TRP A 53 -9.741 1.666 2.493 1.00 0.00 C ATOM 795 CG TRP A 53 -9.352 2.358 1.221 1.00 0.00 C ATOM 796 CD1 TRP A 53 -8.141 2.297 0.593 1.00 0.00 C ATOM 797 CD2 TRP A 53 -10.177 3.216 0.426 1.00 0.00 C ATOM 798 NE1 TRP A 53 -8.163 3.065 -0.546 1.00 0.00 N ATOM 799 CE2 TRP A 53 -9.401 3.640 -0.672 1.00 0.00 C ATOM 800 CE3 TRP A 53 -11.495 3.666 0.532 1.00 0.00 C ATOM 801 CZ2 TRP A 53 -9.902 4.491 -1.651 1.00 0.00 C ATOM 802 CZ3 TRP A 53 -11.991 4.512 -0.443 1.00 0.00 C ATOM 803 CH2 TRP A 53 -11.196 4.916 -1.523 1.00 0.00 C ATOM 0 H TRP A 53 -9.370 0.636 4.701 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.566 3.092 3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.197 0.724 2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.802 1.419 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.291 1.729 0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.384 3.188 -1.193 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.116 3.359 1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -9.291 4.806 -2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -13.008 4.867 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.613 5.576 -2.269 1.00 0.00 H new ATOM 814 N PHE A 54 -11.778 2.891 4.372 1.00 0.00 N ATOM 815 CA PHE A 54 -12.966 3.690 4.647 1.00 0.00 C ATOM 816 C PHE A 54 -12.770 4.545 5.896 1.00 0.00 C ATOM 817 O PHE A 54 -13.138 5.719 5.922 1.00 0.00 O ATOM 818 CB PHE A 54 -14.186 2.785 4.821 1.00 0.00 C ATOM 819 CG PHE A 54 -14.767 2.305 3.521 1.00 0.00 C ATOM 820 CD1 PHE A 54 -14.189 1.249 2.837 1.00 0.00 C ATOM 821 CD2 PHE A 54 -15.892 2.910 2.985 1.00 0.00 C ATOM 822 CE1 PHE A 54 -14.721 0.805 1.641 1.00 0.00 C ATOM 823 CE2 PHE A 54 -16.428 2.471 1.789 1.00 0.00 C ATOM 824 CZ PHE A 54 -15.842 1.418 1.116 1.00 0.00 C ATOM 0 H PHE A 54 -11.909 1.886 4.489 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.132 4.352 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.905 1.922 5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.953 3.326 5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.312 0.767 3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.355 3.734 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.261 -0.020 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.305 2.952 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.259 1.074 0.181 1.00 0.00 H new ATOM 834 N ASP A 55 -12.189 3.946 6.930 1.00 0.00 N ATOM 835 CA ASP A 55 -11.943 4.650 8.183 1.00 0.00 C ATOM 836 C ASP A 55 -10.990 5.823 7.969 1.00 0.00 C ATOM 837 O ASP A 55 -11.141 6.878 8.585 1.00 0.00 O ATOM 838 CB ASP A 55 -11.366 3.692 9.226 1.00 0.00 C ATOM 839 CG ASP A 55 -11.590 4.179 10.644 1.00 0.00 C ATOM 840 OD1 ASP A 55 -11.209 5.331 10.945 1.00 0.00 O ATOM 841 OD2 ASP A 55 -12.147 3.410 11.454 1.00 0.00 O ATOM 0 H ASP A 55 -11.880 2.974 6.925 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.894 5.039 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.823 2.710 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.297 3.570 9.051 1.00 0.00 H new ATOM 846 N SER A 56 -10.011 5.630 7.092 1.00 0.00 N ATOM 847 CA SER A 56 -9.031 6.670 6.801 1.00 0.00 C ATOM 848 C SER A 56 -9.658 7.793 5.981 1.00 0.00 C ATOM 849 O SER A 56 -9.266 8.955 6.097 1.00 0.00 O ATOM 850 CB SER A 56 -7.838 6.079 6.048 1.00 0.00 C ATOM 851 OG SER A 56 -6.987 7.100 5.557 1.00 0.00 O ATOM 0 H SER A 56 -9.875 4.764 6.571 1.00 0.00 H new ATOM 0 HA SER A 56 -8.685 7.084 7.748 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.276 5.421 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.194 5.468 5.218 1.00 0.00 H new ATOM 0 HG SER A 56 -6.232 6.696 5.081 1.00 0.00 H new ATOM 857 N ARG A 57 -10.633 7.438 5.151 1.00 0.00 N ATOM 858 CA ARG A 57 -11.315 8.415 4.310 1.00 0.00 C ATOM 859 C ARG A 57 -12.061 9.438 5.161 1.00 0.00 C ATOM 860 O ARG A 57 -12.137 10.616 4.810 1.00 0.00 O ATOM 861 CB ARG A 57 -12.291 7.712 3.365 1.00 0.00 C ATOM 862 CG ARG A 57 -11.618 7.065 2.165 1.00 0.00 C ATOM 863 CD ARG A 57 -11.234 8.098 1.117 1.00 0.00 C ATOM 864 NE ARG A 57 -9.987 8.780 1.454 1.00 0.00 N ATOM 865 CZ ARG A 57 -9.553 9.868 0.827 1.00 0.00 C ATOM 866 NH1 ARG A 57 -10.262 10.395 -0.161 1.00 0.00 N ATOM 867 NH2 ARG A 57 -8.408 10.432 1.191 1.00 0.00 N ATOM 0 H ARG A 57 -10.969 6.481 5.043 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.563 8.939 3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.835 6.949 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.027 8.435 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.727 6.528 2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.290 6.329 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.130 7.610 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.034 8.832 1.021 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.419 8.401 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.143 9.965 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.926 11.230 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.861 10.030 1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.075 11.267 0.709 1.00 0.00 H new ATOM 881 N LEU A 58 -12.611 8.980 6.280 1.00 0.00 N ATOM 882 CA LEU A 58 -13.353 9.856 7.181 1.00 0.00 C ATOM 883 C LEU A 58 -12.589 11.151 7.433 1.00 0.00 C ATOM 884 O LEU A 58 -11.358 11.184 7.434 1.00 0.00 O ATOM 885 CB LEU A 58 -13.623 9.143 8.508 1.00 0.00 C ATOM 886 CG LEU A 58 -14.808 8.178 8.523 1.00 0.00 C ATOM 887 CD1 LEU A 58 -14.787 7.326 9.783 1.00 0.00 C ATOM 888 CD2 LEU A 58 -16.120 8.942 8.415 1.00 0.00 C ATOM 0 H LEU A 58 -12.558 8.008 6.585 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.303 10.103 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.727 8.590 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.786 9.898 9.277 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.724 7.517 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.638 6.645 9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.862 6.750 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.846 7.971 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -16.953 8.239 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.212 9.628 9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.136 9.507 7.483 1.00 0.00 H new ATOM 900 N PRO A 59 -13.333 12.244 7.654 1.00 0.00 N ATOM 901 CA PRO A 59 -12.747 13.562 7.914 1.00 0.00 C ATOM 902 C PRO A 59 -12.062 13.635 9.274 1.00 0.00 C ATOM 903 O PRO A 59 -11.824 14.720 9.803 1.00 0.00 O ATOM 904 CB PRO A 59 -13.955 14.503 7.873 1.00 0.00 C ATOM 905 CG PRO A 59 -15.118 13.640 8.223 1.00 0.00 C ATOM 906 CD PRO A 59 -14.806 12.278 7.668 1.00 0.00 C ATOM 0 HA PRO A 59 -11.970 13.811 7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.843 15.323 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.076 14.950 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.261 13.598 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.039 14.034 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.220 11.486 8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.220 12.147 6.668 1.00 0.00 H new ATOM 914 N GLN A 60 -11.749 12.472 9.836 1.00 0.00 N ATOM 915 CA GLN A 60 -11.091 12.404 11.136 1.00 0.00 C ATOM 916 C GLN A 60 -9.719 13.068 11.087 1.00 0.00 C ATOM 917 O GLN A 60 -9.032 13.056 10.065 1.00 0.00 O ATOM 918 CB GLN A 60 -10.950 10.948 11.585 1.00 0.00 C ATOM 919 CG GLN A 60 -10.346 10.041 10.525 1.00 0.00 C ATOM 920 CD GLN A 60 -9.760 8.771 11.110 1.00 0.00 C ATOM 921 OE1 GLN A 60 -10.455 8.004 11.779 1.00 0.00 O ATOM 922 NE2 GLN A 60 -8.476 8.541 10.861 1.00 0.00 N ATOM 0 H GLN A 60 -11.940 11.564 9.412 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.709 12.941 11.856 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.329 10.911 12.480 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.932 10.565 11.862 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.113 9.781 9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.567 10.583 9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.938 9.203 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.028 7.702 11.229 1.00 0.00 H new ATOM 931 N PRO A 61 -9.308 13.662 12.217 1.00 0.00 N ATOM 932 CA PRO A 61 -8.015 14.343 12.328 1.00 0.00 C ATOM 933 C PRO A 61 -6.843 13.369 12.300 1.00 0.00 C ATOM 934 O PRO A 61 -6.546 12.710 13.296 1.00 0.00 O ATOM 935 CB PRO A 61 -8.096 15.041 13.688 1.00 0.00 C ATOM 936 CG PRO A 61 -9.075 14.233 14.470 1.00 0.00 C ATOM 937 CD PRO A 61 -10.075 13.716 13.473 1.00 0.00 C ATOM 0 HA PRO A 61 -7.841 15.023 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.123 15.067 14.178 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.428 16.074 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.579 13.412 14.987 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.562 14.841 15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.453 12.733 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.937 14.377 13.389 1.00 0.00 H new ATOM 945 N ALA A 62 -6.178 13.282 11.152 1.00 0.00 N ATOM 946 CA ALA A 62 -5.037 12.390 10.994 1.00 0.00 C ATOM 947 C ALA A 62 -4.326 12.636 9.668 1.00 0.00 C ATOM 948 O ALA A 62 -4.958 12.676 8.614 1.00 0.00 O ATOM 949 CB ALA A 62 -5.485 10.938 11.094 1.00 0.00 C ATOM 0 H ALA A 62 -6.411 13.820 10.317 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.331 12.598 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.623 10.282 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.941 10.764 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.213 10.727 10.311 1.00 0.00 H new ATOM 955 N GLU A 63 -3.008 12.800 9.730 1.00 0.00 N ATOM 956 CA GLU A 63 -2.212 13.045 8.533 1.00 0.00 C ATOM 957 C GLU A 63 -1.667 11.738 7.966 1.00 0.00 C ATOM 958 O GLU A 63 -1.093 10.925 8.691 1.00 0.00 O ATOM 959 CB GLU A 63 -1.058 13.998 8.847 1.00 0.00 C ATOM 960 CG GLU A 63 -0.473 14.672 7.616 1.00 0.00 C ATOM 961 CD GLU A 63 0.636 13.859 6.978 1.00 0.00 C ATOM 962 OE1 GLU A 63 0.410 12.665 6.695 1.00 0.00 O ATOM 963 OE2 GLU A 63 1.731 14.420 6.761 1.00 0.00 O ATOM 0 H GLU A 63 -2.470 12.768 10.596 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.859 13.504 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.409 14.764 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.270 13.445 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.265 14.836 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.086 15.653 7.893 1.00 0.00 H new ATOM 970 N VAL A 64 -1.850 11.541 6.664 1.00 0.00 N ATOM 971 CA VAL A 64 -1.377 10.334 5.999 1.00 0.00 C ATOM 972 C VAL A 64 -0.561 10.674 4.756 1.00 0.00 C ATOM 973 O VAL A 64 -0.864 11.634 4.047 1.00 0.00 O ATOM 974 CB VAL A 64 -2.548 9.419 5.595 1.00 0.00 C ATOM 975 CG1 VAL A 64 -3.424 10.099 4.553 1.00 0.00 C ATOM 976 CG2 VAL A 64 -2.030 8.085 5.080 1.00 0.00 C ATOM 0 H VAL A 64 -2.323 12.203 6.049 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.744 9.808 6.714 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.158 9.229 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.246 9.437 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.825 11.025 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.829 10.323 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.872 7.452 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.396 8.253 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.451 7.593 5.862 1.00 0.00 H new ATOM 986 N SER A 65 0.473 9.881 4.498 1.00 0.00 N ATOM 987 CA SER A 65 1.334 10.100 3.342 1.00 0.00 C ATOM 988 C SER A 65 2.333 8.957 3.185 1.00 0.00 C ATOM 989 O SER A 65 2.813 8.397 4.170 1.00 0.00 O ATOM 990 CB SER A 65 2.080 11.429 3.480 1.00 0.00 C ATOM 991 OG SER A 65 2.959 11.408 4.591 1.00 0.00 O ATOM 0 H SER A 65 0.735 9.081 5.074 1.00 0.00 H new ATOM 0 HA SER A 65 0.705 10.135 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.645 11.629 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.363 12.242 3.595 1.00 0.00 H new ATOM 0 HG SER A 65 3.425 12.268 4.656 1.00 0.00 H new ATOM 997 N GLY A 66 2.643 8.618 1.937 1.00 0.00 N ATOM 998 CA GLY A 66 3.582 7.544 1.672 1.00 0.00 C ATOM 999 C GLY A 66 4.288 7.707 0.340 1.00 0.00 C ATOM 1000 O GLY A 66 3.752 8.288 -0.604 1.00 0.00 O ATOM 0 H GLY A 66 2.261 9.068 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.323 7.508 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.053 6.591 1.685 1.00 0.00 H new ATOM 1004 N PRO A 67 5.522 7.189 0.253 1.00 0.00 N ATOM 1005 CA PRO A 67 6.330 7.267 -0.967 1.00 0.00 C ATOM 1006 C PRO A 67 5.776 6.392 -2.087 1.00 0.00 C ATOM 1007 O PRO A 67 5.984 6.673 -3.268 1.00 0.00 O ATOM 1008 CB PRO A 67 7.702 6.758 -0.519 1.00 0.00 C ATOM 1009 CG PRO A 67 7.416 5.880 0.649 1.00 0.00 C ATOM 1010 CD PRO A 67 6.223 6.482 1.339 1.00 0.00 C ATOM 0 HA PRO A 67 6.349 8.276 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.200 6.206 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.360 7.582 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.207 4.860 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.273 5.833 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.593 5.717 1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.521 7.164 2.136 1.00 0.00 H new ATOM 1018 N SER A 68 5.069 5.332 -1.709 1.00 0.00 N ATOM 1019 CA SER A 68 4.489 4.414 -2.681 1.00 0.00 C ATOM 1020 C SER A 68 3.185 3.821 -2.156 1.00 0.00 C ATOM 1021 O SER A 68 2.866 3.943 -0.974 1.00 0.00 O ATOM 1022 CB SER A 68 5.476 3.293 -3.009 1.00 0.00 C ATOM 1023 OG SER A 68 6.516 3.759 -3.852 1.00 0.00 O ATOM 0 H SER A 68 4.884 5.088 -0.736 1.00 0.00 H new ATOM 0 HA SER A 68 4.274 4.975 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.901 2.897 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.950 2.472 -3.496 1.00 0.00 H new ATOM 0 HG SER A 68 6.452 4.733 -3.942 1.00 0.00 H new ATOM 1029 N SER A 69 2.433 3.180 -3.046 1.00 0.00 N ATOM 1030 CA SER A 69 1.162 2.571 -2.676 1.00 0.00 C ATOM 1031 C SER A 69 1.292 1.054 -2.582 1.00 0.00 C ATOM 1032 O SER A 69 1.626 0.386 -3.561 1.00 0.00 O ATOM 1033 CB SER A 69 0.079 2.939 -3.693 1.00 0.00 C ATOM 1034 OG SER A 69 -1.215 2.793 -3.136 1.00 0.00 O ATOM 0 H SER A 69 2.683 3.070 -4.029 1.00 0.00 H new ATOM 0 HA SER A 69 0.876 2.955 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.222 3.968 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.173 2.304 -4.574 1.00 0.00 H new ATOM 0 HG SER A 69 -1.889 3.036 -3.805 1.00 0.00 H new ATOM 1040 N GLY A 70 1.025 0.515 -1.396 1.00 0.00 N ATOM 1041 CA GLY A 70 1.118 -0.920 -1.195 1.00 0.00 C ATOM 1042 C GLY A 70 -0.022 -1.463 -0.358 1.00 0.00 C ATOM 1043 O GLY A 70 -1.170 -1.485 -0.801 1.00 0.00 O ATOM 0 H GLY A 70 0.746 1.046 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.124 -1.420 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.065 -1.155 -0.710 1.00 0.00 H new TER 1047 GLY A 70