USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -20.8! C(o=-22!,f=-23!) USER MOD Set 1.2: A 58 TYR OH : rot 30:sc= -1.05 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -4.97! C(o=-6.1!,f=-7.9!) USER MOD Set 2.2: A 21 GLN : amide:sc= -1.09 X(o=-6.1,f=-6.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -160:sc=-0.00506 USER MOD Single : A 26 HIS : no HE2:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -119:sc= -0.0976 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.051 USER MOD Single : A 64 TYR OH : rot 0:sc= -0.814 USER MOD Single : A 65 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.52) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 76 SER OG : rot 180:sc= -0.041 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.246 10.172 -9.256 1.00 0.00 N ATOM 2 CA ALA A 8 -3.665 9.686 -10.538 1.00 0.00 C ATOM 3 C ALA A 8 -4.387 8.404 -10.954 1.00 0.00 C ATOM 4 O ALA A 8 -4.961 7.714 -10.137 1.00 0.00 O ATOM 5 CB ALA A 8 -2.167 9.423 -10.348 1.00 0.00 C ATOM 0 HA ALA A 8 -3.791 10.435 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.738 9.067 -11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.670 10.346 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.025 8.668 -9.574 1.00 0.00 H new ATOM 11 N THR A 9 -4.380 8.088 -12.220 1.00 0.00 N ATOM 12 CA THR A 9 -5.081 6.862 -12.685 1.00 0.00 C ATOM 13 C THR A 9 -4.318 5.634 -12.209 1.00 0.00 C ATOM 14 O THR A 9 -3.112 5.661 -12.037 1.00 0.00 O ATOM 15 CB THR A 9 -5.193 6.861 -14.211 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.319 6.087 -14.596 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.932 6.265 -14.834 1.00 0.00 C ATOM 0 H THR A 9 -3.918 8.628 -12.952 1.00 0.00 H new ATOM 0 HA THR A 9 -6.088 6.843 -12.269 1.00 0.00 H new ATOM 0 HB THR A 9 -5.309 7.887 -14.560 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.396 6.085 -15.573 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.025 6.270 -15.920 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.066 6.859 -14.541 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.804 5.240 -14.486 1.00 0.00 H new ATOM 25 N LEU A 10 -5.039 4.575 -11.976 1.00 0.00 N ATOM 26 CA LEU A 10 -4.436 3.310 -11.471 1.00 0.00 C ATOM 27 C LEU A 10 -3.894 2.485 -12.637 1.00 0.00 C ATOM 28 O LEU A 10 -4.652 1.909 -13.391 1.00 0.00 O ATOM 29 CB LEU A 10 -5.536 2.482 -10.787 1.00 0.00 C ATOM 30 CG LEU A 10 -6.090 3.195 -9.544 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.818 4.488 -9.928 1.00 0.00 C ATOM 32 CD2 LEU A 10 -7.076 2.263 -8.841 1.00 0.00 C ATOM 0 H LEU A 10 -6.048 4.532 -12.118 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.630 3.552 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.346 2.298 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.135 1.509 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.258 3.447 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.200 4.972 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.125 5.159 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.648 4.254 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.477 2.758 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.892 2.017 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.563 1.348 -8.544 1.00 0.00 H new ATOM 44 N VAL A 11 -2.601 2.392 -12.790 1.00 0.00 N ATOM 45 CA VAL A 11 -2.067 1.568 -13.904 1.00 0.00 C ATOM 46 C VAL A 11 -1.128 0.508 -13.330 1.00 0.00 C ATOM 47 O VAL A 11 -0.019 0.797 -12.945 1.00 0.00 O ATOM 48 CB VAL A 11 -1.315 2.454 -14.883 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.457 1.878 -16.294 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.906 3.866 -14.847 1.00 0.00 C ATOM 0 H VAL A 11 -1.903 2.845 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.888 1.082 -14.431 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.261 2.494 -14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.919 2.510 -17.001 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.042 0.871 -16.319 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.511 1.843 -16.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.368 4.504 -15.549 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.959 3.827 -15.126 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.812 4.274 -13.841 1.00 0.00 H new ATOM 60 N GLY A 12 -1.569 -0.719 -13.256 1.00 0.00 N ATOM 61 CA GLY A 12 -0.696 -1.789 -12.690 1.00 0.00 C ATOM 62 C GLY A 12 -0.433 -2.867 -13.747 1.00 0.00 C ATOM 63 O GLY A 12 -1.011 -3.934 -13.698 1.00 0.00 O ATOM 0 H GLY A 12 -2.492 -1.026 -13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.248 -1.360 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.172 -2.234 -11.816 1.00 0.00 H new ATOM 67 N PRO A 13 0.440 -2.552 -14.669 1.00 0.00 N ATOM 68 CA PRO A 13 0.818 -3.474 -15.759 1.00 0.00 C ATOM 69 C PRO A 13 1.709 -4.621 -15.257 1.00 0.00 C ATOM 70 O PRO A 13 2.472 -4.483 -14.311 1.00 0.00 O ATOM 71 CB PRO A 13 1.579 -2.579 -16.739 1.00 0.00 C ATOM 72 CG PRO A 13 2.077 -1.368 -15.921 1.00 0.00 C ATOM 73 CD PRO A 13 1.130 -1.248 -14.715 1.00 0.00 C ATOM 0 HA PRO A 13 -0.048 -3.962 -16.206 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.415 -3.116 -17.187 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.932 -2.258 -17.555 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.107 -1.515 -15.595 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.060 -0.459 -16.522 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.680 -1.055 -13.794 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.424 -0.427 -14.843 1.00 0.00 H new ATOM 81 N HIS A 14 1.609 -5.749 -15.915 1.00 0.00 N ATOM 82 CA HIS A 14 2.420 -6.950 -15.548 1.00 0.00 C ATOM 83 C HIS A 14 1.780 -8.188 -16.168 1.00 0.00 C ATOM 84 O HIS A 14 2.448 -9.111 -16.588 1.00 0.00 O ATOM 85 CB HIS A 14 2.462 -7.136 -14.028 1.00 0.00 C ATOM 86 CG HIS A 14 3.111 -8.454 -13.710 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.383 -9.625 -13.569 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.423 -8.802 -13.505 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.254 -10.612 -13.291 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.511 -10.164 -13.239 1.00 0.00 N ATOM 0 H HIS A 14 0.985 -5.890 -16.709 1.00 0.00 H new ATOM 0 HA HIS A 14 3.436 -6.809 -15.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.019 -6.321 -13.565 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.453 -7.105 -13.618 1.00 0.00 H new ATOM 0 HD1 HIS A 14 1.372 -9.721 -13.659 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.260 -8.121 -13.544 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.971 -11.642 -13.129 1.00 0.00 H new ATOM 98 N GLY A 15 0.483 -8.213 -16.202 1.00 0.00 N ATOM 99 CA GLY A 15 -0.241 -9.386 -16.765 1.00 0.00 C ATOM 100 C GLY A 15 -0.904 -10.130 -15.607 1.00 0.00 C ATOM 101 O GLY A 15 -1.440 -9.512 -14.709 1.00 0.00 O ATOM 0 H GLY A 15 -0.117 -7.463 -15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.989 -9.061 -17.488 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.450 -10.042 -17.294 1.00 0.00 H new ATOM 105 N PRO A 16 -0.833 -11.432 -15.645 1.00 0.00 N ATOM 106 CA PRO A 16 -1.406 -12.274 -14.588 1.00 0.00 C ATOM 107 C PRO A 16 -0.476 -12.267 -13.377 1.00 0.00 C ATOM 108 O PRO A 16 0.725 -12.159 -13.512 1.00 0.00 O ATOM 109 CB PRO A 16 -1.470 -13.662 -15.221 1.00 0.00 C ATOM 110 CG PRO A 16 -0.432 -13.661 -16.370 1.00 0.00 C ATOM 111 CD PRO A 16 -0.180 -12.184 -16.734 1.00 0.00 C ATOM 0 HA PRO A 16 -2.382 -11.937 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.239 -14.435 -14.488 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.470 -13.871 -15.600 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.493 -14.146 -16.057 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.807 -14.214 -17.231 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.886 -11.963 -16.789 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.608 -11.933 -17.705 1.00 0.00 H new ATOM 119 N LEU A 17 -1.015 -12.372 -12.200 1.00 0.00 N ATOM 120 CA LEU A 17 -0.147 -12.357 -10.991 1.00 0.00 C ATOM 121 C LEU A 17 -0.143 -13.744 -10.349 1.00 0.00 C ATOM 122 O LEU A 17 -1.152 -14.222 -9.876 1.00 0.00 O ATOM 123 CB LEU A 17 -0.680 -11.331 -9.989 1.00 0.00 C ATOM 124 CG LEU A 17 0.295 -10.153 -9.880 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.696 -10.669 -9.545 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.339 -9.395 -11.211 1.00 0.00 C ATOM 0 H LEU A 17 -2.014 -12.467 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 17 0.869 -12.087 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.660 -10.975 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.811 -11.797 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.043 -9.483 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.385 -9.828 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.669 -11.204 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.033 -11.344 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.033 -8.558 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.672 -10.067 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.656 -9.019 -11.449 1.00 0.00 H new ATOM 138 N ALA A 18 0.989 -14.386 -10.326 1.00 0.00 N ATOM 139 CA ALA A 18 1.068 -15.738 -9.708 1.00 0.00 C ATOM 140 C ALA A 18 1.791 -15.622 -8.368 1.00 0.00 C ATOM 141 O ALA A 18 2.490 -14.661 -8.118 1.00 0.00 O ATOM 142 CB ALA A 18 1.845 -16.678 -10.631 1.00 0.00 C ATOM 0 H ALA A 18 1.866 -14.033 -10.709 1.00 0.00 H new ATOM 0 HA ALA A 18 0.065 -16.137 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.902 -17.668 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.335 -16.748 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.852 -16.289 -10.782 1.00 0.00 H new ATOM 148 N SER A 19 1.621 -16.581 -7.500 1.00 0.00 N ATOM 149 CA SER A 19 2.297 -16.508 -6.176 1.00 0.00 C ATOM 150 C SER A 19 3.804 -16.361 -6.381 1.00 0.00 C ATOM 151 O SER A 19 4.446 -17.208 -6.969 1.00 0.00 O ATOM 152 CB SER A 19 2.012 -17.780 -5.380 1.00 0.00 C ATOM 153 OG SER A 19 2.652 -17.686 -4.116 1.00 0.00 O ATOM 0 H SER A 19 1.045 -17.409 -7.650 1.00 0.00 H new ATOM 0 HA SER A 19 1.918 -15.647 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.938 -17.910 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.375 -18.653 -5.922 1.00 0.00 H new ATOM 0 HG SER A 19 2.751 -18.582 -3.732 1.00 0.00 H new ATOM 159 N GLY A 20 4.367 -15.288 -5.903 1.00 0.00 N ATOM 160 CA GLY A 20 5.832 -15.076 -6.072 1.00 0.00 C ATOM 161 C GLY A 20 6.087 -14.312 -7.371 1.00 0.00 C ATOM 162 O GLY A 20 6.940 -14.675 -8.156 1.00 0.00 O ATOM 0 H GLY A 20 3.876 -14.547 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.230 -14.518 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.349 -16.035 -6.093 1.00 0.00 H new ATOM 166 N GLN A 21 5.353 -13.256 -7.610 1.00 0.00 N ATOM 167 CA GLN A 21 5.561 -12.478 -8.865 1.00 0.00 C ATOM 168 C GLN A 21 5.770 -10.994 -8.549 1.00 0.00 C ATOM 169 O GLN A 21 5.312 -10.483 -7.540 1.00 0.00 O ATOM 170 CB GLN A 21 4.344 -12.636 -9.780 1.00 0.00 C ATOM 171 CG GLN A 21 4.551 -13.835 -10.709 1.00 0.00 C ATOM 172 CD GLN A 21 5.803 -13.618 -11.563 1.00 0.00 C ATOM 173 OE1 GLN A 21 6.891 -13.995 -11.175 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.694 -13.027 -12.721 1.00 0.00 N ATOM 0 H GLN A 21 4.622 -12.901 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 21 6.450 -12.861 -9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.443 -12.777 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.198 -11.729 -10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.653 -14.748 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.680 -13.964 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.781 -12.710 -13.048 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.522 -12.882 -13.299 1.00 0.00 H new ATOM 183 N LEU A 22 6.467 -10.305 -9.416 1.00 0.00 N ATOM 184 CA LEU A 22 6.730 -8.855 -9.204 1.00 0.00 C ATOM 185 C LEU A 22 5.914 -8.038 -10.207 1.00 0.00 C ATOM 186 O LEU A 22 6.360 -7.766 -11.304 1.00 0.00 O ATOM 187 CB LEU A 22 8.223 -8.580 -9.427 1.00 0.00 C ATOM 188 CG LEU A 22 8.635 -7.249 -8.778 1.00 0.00 C ATOM 189 CD1 LEU A 22 8.012 -6.072 -9.535 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.163 -7.213 -7.324 1.00 0.00 C ATOM 0 H LEU A 22 6.868 -10.692 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 22 6.447 -8.575 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.814 -9.393 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.436 -8.550 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 22 9.721 -7.167 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.313 -5.136 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.354 -6.083 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.926 -6.158 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.458 -6.267 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.078 -7.309 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.617 -8.037 -6.774 1.00 0.00 H new ATOM 202 N ALA A 23 4.733 -7.624 -9.840 1.00 0.00 N ATOM 203 CA ALA A 23 3.919 -6.801 -10.777 1.00 0.00 C ATOM 204 C ALA A 23 4.572 -5.423 -10.869 1.00 0.00 C ATOM 205 O ALA A 23 5.271 -5.018 -9.969 1.00 0.00 O ATOM 206 CB ALA A 23 2.499 -6.656 -10.235 1.00 0.00 C ATOM 0 H ALA A 23 4.299 -7.818 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 23 3.872 -7.273 -11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.907 -6.053 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.046 -7.642 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.530 -6.169 -9.260 1.00 0.00 H new ATOM 212 N ALA A 24 4.364 -4.684 -11.923 1.00 0.00 N ATOM 213 CA ALA A 24 5.003 -3.341 -11.992 1.00 0.00 C ATOM 214 C ALA A 24 3.909 -2.299 -12.178 1.00 0.00 C ATOM 215 O ALA A 24 3.232 -2.273 -13.178 1.00 0.00 O ATOM 216 CB ALA A 24 5.998 -3.307 -13.148 1.00 0.00 C ATOM 0 H ALA A 24 3.791 -4.945 -12.725 1.00 0.00 H new ATOM 0 HA ALA A 24 5.549 -3.126 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.465 -2.323 -13.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.765 -4.065 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.476 -3.508 -14.083 1.00 0.00 H new ATOM 222 N PHE A 25 3.701 -1.476 -11.191 1.00 0.00 N ATOM 223 CA PHE A 25 2.609 -0.470 -11.270 1.00 0.00 C ATOM 224 C PHE A 25 3.123 0.919 -11.636 1.00 0.00 C ATOM 225 O PHE A 25 4.307 1.186 -11.681 1.00 0.00 O ATOM 226 CB PHE A 25 1.953 -0.342 -9.899 1.00 0.00 C ATOM 227 CG PHE A 25 1.142 -1.561 -9.560 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.737 -2.830 -9.517 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.219 -1.408 -9.274 1.00 0.00 C ATOM 230 CE1 PHE A 25 0.960 -3.947 -9.190 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.992 -2.526 -8.946 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.403 -3.795 -8.905 1.00 0.00 C ATOM 0 H PHE A 25 4.244 -1.457 -10.328 1.00 0.00 H new ATOM 0 HA PHE A 25 1.917 -0.813 -12.039 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.721 -0.192 -9.140 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.312 0.539 -9.882 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.789 -2.945 -9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.672 -0.428 -9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.412 -4.927 -9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.043 -2.410 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.001 -4.659 -8.653 1.00 0.00 H new ATOM 242 N HIS A 26 2.195 1.811 -11.842 1.00 0.00 N ATOM 243 CA HIS A 26 2.513 3.223 -12.146 1.00 0.00 C ATOM 244 C HIS A 26 1.190 3.999 -12.135 1.00 0.00 C ATOM 245 O HIS A 26 0.134 3.469 -12.446 1.00 0.00 O ATOM 246 CB HIS A 26 3.251 3.351 -13.492 1.00 0.00 C ATOM 247 CG HIS A 26 2.299 3.337 -14.656 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.449 4.395 -14.938 1.00 0.00 N ATOM 249 CD2 HIS A 26 2.100 2.418 -15.655 1.00 0.00 C ATOM 250 CE1 HIS A 26 0.786 4.089 -16.067 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.148 2.897 -16.547 1.00 0.00 N ATOM 0 H HIS A 26 1.196 1.606 -11.810 1.00 0.00 H new ATOM 0 HA HIS A 26 3.190 3.637 -11.398 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.826 4.277 -13.504 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.963 2.532 -13.595 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.345 5.249 -14.390 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.606 1.467 -15.736 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.050 4.730 -16.529 1.00 0.00 H new ATOM 259 N ILE A 27 1.226 5.237 -11.739 1.00 0.00 N ATOM 260 CA ILE A 27 -0.028 6.034 -11.673 1.00 0.00 C ATOM 261 C ILE A 27 0.038 7.117 -12.748 1.00 0.00 C ATOM 262 O ILE A 27 1.106 7.465 -13.209 1.00 0.00 O ATOM 263 CB ILE A 27 -0.172 6.665 -10.278 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.711 5.929 -9.257 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.626 6.554 -9.823 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.138 4.921 -8.478 1.00 0.00 C ATOM 0 H ILE A 27 2.071 5.734 -11.457 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.895 5.396 -11.847 1.00 0.00 H new ATOM 0 HB ILE A 27 0.136 7.709 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.525 5.416 -9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.165 6.644 -8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.733 7.000 -8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.269 7.079 -10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.915 5.504 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.489 4.400 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.937 5.446 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.571 4.199 -9.170 1.00 0.00 H new ATOM 278 N ALA A 28 -1.080 7.631 -13.191 1.00 0.00 N ATOM 279 CA ALA A 28 -1.011 8.660 -14.279 1.00 0.00 C ATOM 280 C ALA A 28 -1.878 9.892 -13.985 1.00 0.00 C ATOM 281 O ALA A 28 -3.075 9.802 -13.836 1.00 0.00 O ATOM 282 CB ALA A 28 -1.493 8.033 -15.580 1.00 0.00 C ATOM 0 H ALA A 28 -2.015 7.394 -12.860 1.00 0.00 H new ATOM 0 HA ALA A 28 0.025 8.990 -14.349 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.447 8.773 -16.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.856 7.185 -15.833 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.521 7.691 -15.460 1.00 0.00 H new ATOM 288 N ALA A 29 -1.272 11.048 -13.959 1.00 0.00 N ATOM 289 CA ALA A 29 -2.035 12.313 -13.730 1.00 0.00 C ATOM 290 C ALA A 29 -1.040 13.470 -13.574 1.00 0.00 C ATOM 291 O ALA A 29 -0.928 14.301 -14.455 1.00 0.00 O ATOM 292 CB ALA A 29 -2.923 12.194 -12.490 1.00 0.00 C ATOM 0 H ALA A 29 -0.268 11.173 -14.088 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.686 12.504 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.469 13.126 -12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.631 11.376 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.303 11.995 -11.616 1.00 0.00 H new ATOM 298 N PRO A 30 -0.318 13.486 -12.478 1.00 0.00 N ATOM 299 CA PRO A 30 0.686 14.528 -12.234 1.00 0.00 C ATOM 300 C PRO A 30 1.932 14.211 -13.059 1.00 0.00 C ATOM 301 O PRO A 30 2.903 13.696 -12.552 1.00 0.00 O ATOM 302 CB PRO A 30 0.976 14.417 -10.737 1.00 0.00 C ATOM 303 CG PRO A 30 0.569 12.984 -10.327 1.00 0.00 C ATOM 304 CD PRO A 30 -0.423 12.487 -11.392 1.00 0.00 C ATOM 0 HA PRO A 30 0.361 15.531 -12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.031 14.597 -10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.410 15.159 -10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.442 12.333 -10.277 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.110 12.979 -9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.164 11.488 -11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.438 12.433 -10.997 1.00 0.00 H new ATOM 312 N LEU A 31 1.888 14.492 -14.336 1.00 0.00 N ATOM 313 CA LEU A 31 3.050 14.193 -15.232 1.00 0.00 C ATOM 314 C LEU A 31 4.387 14.396 -14.499 1.00 0.00 C ATOM 315 O LEU A 31 5.195 13.491 -14.447 1.00 0.00 O ATOM 316 CB LEU A 31 2.995 15.104 -16.461 1.00 0.00 C ATOM 317 CG LEU A 31 2.841 14.251 -17.722 1.00 0.00 C ATOM 318 CD1 LEU A 31 3.987 13.239 -17.797 1.00 0.00 C ATOM 319 CD2 LEU A 31 1.505 13.506 -17.671 1.00 0.00 C ATOM 0 H LEU A 31 1.089 14.920 -14.803 1.00 0.00 H new ATOM 0 HA LEU A 31 2.985 13.149 -15.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.160 15.799 -16.375 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.903 15.704 -16.523 1.00 0.00 H new ATOM 0 HG LEU A 31 2.867 14.894 -18.602 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.878 12.631 -18.695 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.939 13.769 -17.831 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.962 12.595 -16.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.393 12.898 -18.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.480 12.863 -16.791 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.689 14.226 -17.617 1.00 0.00 H new ATOM 331 N PRO A 32 4.587 15.572 -13.957 1.00 0.00 N ATOM 332 CA PRO A 32 5.825 15.899 -13.229 1.00 0.00 C ATOM 333 C PRO A 32 5.787 15.354 -11.795 1.00 0.00 C ATOM 334 O PRO A 32 5.507 16.078 -10.868 1.00 0.00 O ATOM 335 CB PRO A 32 5.834 17.430 -13.214 1.00 0.00 C ATOM 336 CG PRO A 32 4.365 17.877 -13.406 1.00 0.00 C ATOM 337 CD PRO A 32 3.615 16.683 -14.021 1.00 0.00 C ATOM 0 HA PRO A 32 6.710 15.464 -13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.235 17.807 -12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.467 17.823 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.920 18.164 -12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.308 18.748 -14.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.708 16.452 -13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.313 16.889 -15.048 1.00 0.00 H new ATOM 345 N VAL A 33 6.080 14.094 -11.599 1.00 0.00 N ATOM 346 CA VAL A 33 6.073 13.532 -10.212 1.00 0.00 C ATOM 347 C VAL A 33 7.507 13.185 -9.808 1.00 0.00 C ATOM 348 O VAL A 33 8.332 12.859 -10.639 1.00 0.00 O ATOM 349 CB VAL A 33 5.214 12.268 -10.152 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.486 11.530 -8.840 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.741 12.657 -10.203 1.00 0.00 C ATOM 0 H VAL A 33 6.323 13.431 -12.335 1.00 0.00 H new ATOM 0 HA VAL A 33 5.657 14.273 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 33 5.458 11.623 -10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.874 10.629 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.540 11.256 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.238 12.178 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.126 11.758 -10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.505 13.299 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.538 13.192 -11.131 1.00 0.00 H new ATOM 361 N THR A 34 7.814 13.254 -8.541 1.00 0.00 N ATOM 362 CA THR A 34 9.199 12.930 -8.094 1.00 0.00 C ATOM 363 C THR A 34 9.195 11.712 -7.173 1.00 0.00 C ATOM 364 O THR A 34 10.159 10.975 -7.104 1.00 0.00 O ATOM 365 CB THR A 34 9.787 14.131 -7.350 1.00 0.00 C ATOM 366 OG1 THR A 34 8.841 14.605 -6.399 1.00 0.00 O ATOM 367 CG2 THR A 34 10.110 15.243 -8.347 1.00 0.00 C ATOM 0 H THR A 34 7.168 13.520 -7.798 1.00 0.00 H new ATOM 0 HA THR A 34 9.806 12.703 -8.970 1.00 0.00 H new ATOM 0 HB THR A 34 10.701 13.830 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.216 15.373 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.529 16.098 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.834 14.879 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.198 15.547 -8.861 1.00 0.00 H new ATOM 375 N ALA A 35 8.132 11.493 -6.462 1.00 0.00 N ATOM 376 CA ALA A 35 8.087 10.323 -5.543 1.00 0.00 C ATOM 377 C ALA A 35 6.637 9.941 -5.242 1.00 0.00 C ATOM 378 O ALA A 35 5.768 10.784 -5.109 1.00 0.00 O ATOM 379 CB ALA A 35 8.797 10.683 -4.239 1.00 0.00 C ATOM 0 H ALA A 35 7.291 12.071 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 35 8.584 9.477 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.768 9.830 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.834 10.944 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.296 11.533 -3.775 1.00 0.00 H new ATOM 385 N THR A 36 6.383 8.667 -5.120 1.00 0.00 N ATOM 386 CA THR A 36 5.004 8.197 -4.814 1.00 0.00 C ATOM 387 C THR A 36 5.066 7.207 -3.655 1.00 0.00 C ATOM 388 O THR A 36 6.083 6.594 -3.405 1.00 0.00 O ATOM 389 CB THR A 36 4.413 7.484 -6.031 1.00 0.00 C ATOM 390 OG1 THR A 36 3.214 6.823 -5.654 1.00 0.00 O ATOM 391 CG2 THR A 36 5.413 6.457 -6.556 1.00 0.00 C ATOM 0 H THR A 36 7.078 7.927 -5.220 1.00 0.00 H new ATOM 0 HA THR A 36 4.382 9.054 -4.555 1.00 0.00 H new ATOM 0 HB THR A 36 4.199 8.215 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.313 5.859 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.991 5.949 -7.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.335 6.961 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.627 5.726 -5.776 1.00 0.00 H new ATOM 399 N ARG A 37 3.984 7.033 -2.957 1.00 0.00 N ATOM 400 CA ARG A 37 3.978 6.068 -1.830 1.00 0.00 C ATOM 401 C ARG A 37 2.841 5.071 -2.046 1.00 0.00 C ATOM 402 O ARG A 37 1.686 5.383 -1.843 1.00 0.00 O ATOM 403 CB ARG A 37 3.774 6.812 -0.510 1.00 0.00 C ATOM 404 CG ARG A 37 4.887 6.431 0.471 1.00 0.00 C ATOM 405 CD ARG A 37 4.431 6.720 1.904 1.00 0.00 C ATOM 406 NE ARG A 37 3.602 7.960 1.928 1.00 0.00 N ATOM 407 CZ ARG A 37 3.982 8.991 2.633 1.00 0.00 C ATOM 408 NH1 ARG A 37 5.234 9.364 2.630 1.00 0.00 N ATOM 409 NH2 ARG A 37 3.107 9.654 3.338 1.00 0.00 N ATOM 0 H ARG A 37 3.102 7.518 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 37 4.931 5.540 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.780 7.888 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.801 6.563 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.134 5.375 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.792 6.995 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.855 5.879 2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.297 6.838 2.555 1.00 0.00 H new ATOM 0 HE ARG A 37 2.735 8.002 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.918 8.849 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.527 10.170 3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.128 9.366 3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.402 10.460 3.890 1.00 0.00 H new ATOM 423 N TRP A 38 3.157 3.875 -2.459 1.00 0.00 N ATOM 424 CA TRP A 38 2.092 2.860 -2.693 1.00 0.00 C ATOM 425 C TRP A 38 1.832 2.098 -1.402 1.00 0.00 C ATOM 426 O TRP A 38 2.444 2.340 -0.382 1.00 0.00 O ATOM 427 CB TRP A 38 2.544 1.844 -3.742 1.00 0.00 C ATOM 428 CG TRP A 38 2.851 2.509 -5.039 1.00 0.00 C ATOM 429 CD1 TRP A 38 3.869 3.370 -5.259 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.161 2.356 -6.306 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.850 3.745 -6.589 1.00 0.00 N ATOM 432 CE2 TRP A 38 2.816 3.148 -7.274 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.040 1.610 -6.706 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.382 3.198 -8.592 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.595 1.660 -8.033 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.267 2.452 -8.976 1.00 0.00 C ATOM 0 H TRP A 38 4.108 3.556 -2.645 1.00 0.00 H new ATOM 0 HA TRP A 38 1.195 3.377 -3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.427 1.316 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.764 1.097 -3.889 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.579 3.709 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.521 4.386 -7.012 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.519 0.995 -5.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.903 3.809 -9.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.270 1.086 -8.332 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.922 2.484 -9.999 1.00 0.00 H new ATOM 447 N ASP A 39 0.944 1.155 -1.454 1.00 0.00 N ATOM 448 CA ASP A 39 0.655 0.332 -0.258 1.00 0.00 C ATOM 449 C ASP A 39 0.267 -1.059 -0.743 1.00 0.00 C ATOM 450 O ASP A 39 -0.823 -1.273 -1.234 1.00 0.00 O ATOM 451 CB ASP A 39 -0.487 0.949 0.547 1.00 0.00 C ATOM 452 CG ASP A 39 0.030 1.358 1.927 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.049 0.511 2.805 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.401 2.510 2.080 1.00 0.00 O ATOM 0 H ASP A 39 0.400 0.917 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 39 1.529 0.281 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.888 1.817 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.303 0.234 0.649 1.00 0.00 H new ATOM 459 N PHE A 40 1.164 -2.002 -0.650 1.00 0.00 N ATOM 460 CA PHE A 40 0.839 -3.368 -1.156 1.00 0.00 C ATOM 461 C PHE A 40 0.029 -4.146 -0.119 1.00 0.00 C ATOM 462 O PHE A 40 -1.116 -4.479 -0.340 1.00 0.00 O ATOM 463 CB PHE A 40 2.121 -4.137 -1.491 1.00 0.00 C ATOM 464 CG PHE A 40 3.032 -3.299 -2.361 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.536 -2.176 -3.042 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.383 -3.650 -2.491 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.391 -1.412 -3.844 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.232 -2.883 -3.294 1.00 0.00 C ATOM 469 CZ PHE A 40 4.736 -1.766 -3.969 1.00 0.00 C ATOM 0 H PHE A 40 2.096 -1.890 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 40 0.244 -3.259 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.638 -4.411 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.871 -5.065 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.496 -1.902 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.768 -4.514 -1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.010 -0.547 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.273 -3.155 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.394 -1.175 -4.589 1.00 0.00 H new ATOM 479 N GLY A 41 0.609 -4.458 1.004 1.00 0.00 N ATOM 480 CA GLY A 41 -0.146 -5.233 2.031 1.00 0.00 C ATOM 481 C GLY A 41 0.234 -6.717 1.944 1.00 0.00 C ATOM 482 O GLY A 41 -0.385 -7.563 2.557 1.00 0.00 O ATOM 0 H GLY A 41 1.566 -4.213 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.077 -4.849 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.218 -5.113 1.875 1.00 0.00 H new ATOM 486 N ASP A 42 1.262 -7.034 1.201 1.00 0.00 N ATOM 487 CA ASP A 42 1.710 -8.452 1.080 1.00 0.00 C ATOM 488 C ASP A 42 2.857 -8.676 2.063 1.00 0.00 C ATOM 489 O ASP A 42 3.801 -9.388 1.787 1.00 0.00 O ATOM 490 CB ASP A 42 2.236 -8.682 -0.340 1.00 0.00 C ATOM 491 CG ASP A 42 3.232 -7.568 -0.724 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.887 -7.034 0.163 1.00 0.00 O ATOM 493 OD2 ASP A 42 3.322 -7.266 -1.902 1.00 0.00 O ATOM 0 H ASP A 42 1.816 -6.364 0.668 1.00 0.00 H new ATOM 0 HA ASP A 42 0.884 -9.132 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.725 -9.654 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.405 -8.697 -1.046 1.00 0.00 H new ATOM 498 N GLY A 43 2.816 -8.007 3.175 1.00 0.00 N ATOM 499 CA GLY A 43 3.933 -8.095 4.142 1.00 0.00 C ATOM 500 C GLY A 43 4.600 -6.724 4.118 1.00 0.00 C ATOM 501 O GLY A 43 5.046 -6.209 5.126 1.00 0.00 O ATOM 0 H GLY A 43 2.048 -7.397 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.570 -8.337 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.636 -8.879 3.860 1.00 0.00 H new ATOM 505 N SER A 44 4.622 -6.112 2.956 1.00 0.00 N ATOM 506 CA SER A 44 5.201 -4.751 2.822 1.00 0.00 C ATOM 507 C SER A 44 4.040 -3.778 2.600 1.00 0.00 C ATOM 508 O SER A 44 3.498 -3.676 1.516 1.00 0.00 O ATOM 509 CB SER A 44 6.147 -4.710 1.620 1.00 0.00 C ATOM 510 OG SER A 44 7.179 -5.670 1.799 1.00 0.00 O ATOM 0 H SER A 44 4.257 -6.509 2.090 1.00 0.00 H new ATOM 0 HA SER A 44 5.764 -4.481 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.596 -4.918 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.576 -3.714 1.515 1.00 0.00 H new ATOM 0 HG SER A 44 7.785 -5.646 1.029 1.00 0.00 H new ATOM 516 N ALA A 45 3.634 -3.082 3.626 1.00 0.00 N ATOM 517 CA ALA A 45 2.493 -2.137 3.477 1.00 0.00 C ATOM 518 C ALA A 45 2.953 -0.885 2.735 1.00 0.00 C ATOM 519 O ALA A 45 2.834 -0.793 1.524 1.00 0.00 O ATOM 520 CB ALA A 45 1.962 -1.755 4.861 1.00 0.00 C ATOM 0 H ALA A 45 4.043 -3.127 4.559 1.00 0.00 H new ATOM 0 HA ALA A 45 1.698 -2.617 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.127 -1.063 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.625 -2.651 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.756 -1.278 5.436 1.00 0.00 H new ATOM 526 N GLU A 46 3.467 0.070 3.463 1.00 0.00 N ATOM 527 CA GLU A 46 3.946 1.343 2.846 1.00 0.00 C ATOM 528 C GLU A 46 4.884 1.033 1.683 1.00 0.00 C ATOM 529 O GLU A 46 5.622 0.068 1.707 1.00 0.00 O ATOM 530 CB GLU A 46 4.698 2.163 3.895 1.00 0.00 C ATOM 531 CG GLU A 46 3.717 2.662 4.957 1.00 0.00 C ATOM 532 CD GLU A 46 4.223 2.277 6.348 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.430 2.244 6.533 1.00 0.00 O ATOM 534 OE2 GLU A 46 3.396 2.022 7.209 1.00 0.00 O ATOM 0 H GLU A 46 3.577 0.022 4.476 1.00 0.00 H new ATOM 0 HA GLU A 46 3.090 1.909 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.474 1.554 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.197 3.008 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.608 3.744 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.731 2.231 4.786 1.00 0.00 H new ATOM 541 N VAL A 47 4.844 1.831 0.653 1.00 0.00 N ATOM 542 CA VAL A 47 5.712 1.565 -0.522 1.00 0.00 C ATOM 543 C VAL A 47 6.405 2.845 -0.984 1.00 0.00 C ATOM 544 O VAL A 47 5.801 3.695 -1.599 1.00 0.00 O ATOM 545 CB VAL A 47 4.842 1.037 -1.655 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.694 0.825 -2.900 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.224 -0.293 -1.241 1.00 0.00 C ATOM 0 H VAL A 47 4.247 2.655 0.576 1.00 0.00 H new ATOM 0 HA VAL A 47 6.474 0.837 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 47 4.055 1.759 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.069 0.447 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.142 1.772 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.482 0.104 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.601 -0.672 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.016 -1.011 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.613 -0.149 -0.350 1.00 0.00 H new ATOM 557 N ASP A 48 7.673 2.977 -0.722 1.00 0.00 N ATOM 558 CA ASP A 48 8.398 4.191 -1.182 1.00 0.00 C ATOM 559 C ASP A 48 8.810 3.980 -2.640 1.00 0.00 C ATOM 560 O ASP A 48 9.578 3.091 -2.950 1.00 0.00 O ATOM 561 CB ASP A 48 9.642 4.400 -0.320 1.00 0.00 C ATOM 562 CG ASP A 48 9.226 4.577 1.141 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.884 5.690 1.507 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.250 3.596 1.867 1.00 0.00 O ATOM 0 H ASP A 48 8.238 2.299 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 48 7.758 5.069 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.313 3.546 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.191 5.277 -0.662 1.00 0.00 H new ATOM 569 N ALA A 49 8.290 4.766 -3.544 1.00 0.00 N ATOM 570 CA ALA A 49 8.644 4.576 -4.981 1.00 0.00 C ATOM 571 C ALA A 49 9.087 5.900 -5.610 1.00 0.00 C ATOM 572 O ALA A 49 8.854 6.968 -5.076 1.00 0.00 O ATOM 573 CB ALA A 49 7.424 4.048 -5.728 1.00 0.00 C ATOM 0 H ALA A 49 7.639 5.527 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 49 9.467 3.865 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.674 3.906 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.117 3.095 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.607 4.765 -5.643 1.00 0.00 H new ATOM 579 N ALA A 50 9.723 5.827 -6.752 1.00 0.00 N ATOM 580 CA ALA A 50 10.191 7.065 -7.438 1.00 0.00 C ATOM 581 C ALA A 50 9.150 7.503 -8.473 1.00 0.00 C ATOM 582 O ALA A 50 8.422 6.688 -9.027 1.00 0.00 O ATOM 583 CB ALA A 50 11.520 6.786 -8.145 1.00 0.00 C ATOM 0 H ALA A 50 9.938 4.957 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 50 10.328 7.856 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.862 7.691 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.264 6.474 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.381 5.994 -8.881 1.00 0.00 H new ATOM 589 N GLY A 51 9.076 8.787 -8.735 1.00 0.00 N ATOM 590 CA GLY A 51 8.089 9.302 -9.726 1.00 0.00 C ATOM 591 C GLY A 51 6.737 8.649 -9.467 1.00 0.00 C ATOM 592 O GLY A 51 6.463 8.211 -8.371 1.00 0.00 O ATOM 0 H GLY A 51 9.662 9.500 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.005 10.386 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.424 9.083 -10.740 1.00 0.00 H new ATOM 596 N PRO A 52 5.935 8.590 -10.486 1.00 0.00 N ATOM 597 CA PRO A 52 4.614 7.963 -10.406 1.00 0.00 C ATOM 598 C PRO A 52 4.719 6.462 -10.722 1.00 0.00 C ATOM 599 O PRO A 52 3.869 5.921 -11.397 1.00 0.00 O ATOM 600 CB PRO A 52 3.832 8.669 -11.516 1.00 0.00 C ATOM 601 CG PRO A 52 4.884 9.198 -12.525 1.00 0.00 C ATOM 602 CD PRO A 52 6.247 9.174 -11.803 1.00 0.00 C ATOM 0 HA PRO A 52 4.155 8.050 -9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.140 7.981 -12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.236 9.487 -11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.909 8.575 -13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.636 10.209 -12.848 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.977 8.572 -12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.667 10.175 -11.708 1.00 0.00 H new ATOM 610 N ALA A 53 5.750 5.774 -10.278 1.00 0.00 N ATOM 611 CA ALA A 53 5.832 4.322 -10.631 1.00 0.00 C ATOM 612 C ALA A 53 6.321 3.474 -9.452 1.00 0.00 C ATOM 613 O ALA A 53 7.003 3.945 -8.565 1.00 0.00 O ATOM 614 CB ALA A 53 6.788 4.144 -11.810 1.00 0.00 C ATOM 0 H ALA A 53 6.511 6.141 -9.707 1.00 0.00 H new ATOM 0 HA ALA A 53 4.830 3.984 -10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.851 3.088 -12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.418 4.708 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.777 4.509 -11.535 1.00 0.00 H new ATOM 620 N ALA A 54 5.972 2.212 -9.464 1.00 0.00 N ATOM 621 CA ALA A 54 6.393 1.276 -8.379 1.00 0.00 C ATOM 622 C ALA A 54 6.155 -0.156 -8.860 1.00 0.00 C ATOM 623 O ALA A 54 5.867 -0.387 -10.016 1.00 0.00 O ATOM 624 CB ALA A 54 5.555 1.527 -7.124 1.00 0.00 C ATOM 0 H ALA A 54 5.402 1.784 -10.194 1.00 0.00 H new ATOM 0 HA ALA A 54 7.446 1.432 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.866 0.842 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.699 2.554 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.501 1.364 -7.351 1.00 0.00 H new ATOM 630 N SER A 55 6.263 -1.119 -7.990 1.00 0.00 N ATOM 631 CA SER A 55 6.026 -2.529 -8.414 1.00 0.00 C ATOM 632 C SER A 55 5.574 -3.360 -7.217 1.00 0.00 C ATOM 633 O SER A 55 6.005 -3.151 -6.104 1.00 0.00 O ATOM 634 CB SER A 55 7.298 -3.118 -9.003 1.00 0.00 C ATOM 635 OG SER A 55 8.329 -2.139 -8.992 1.00 0.00 O ATOM 0 H SER A 55 6.504 -0.994 -7.007 1.00 0.00 H new ATOM 0 HA SER A 55 5.245 -2.544 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.606 -3.991 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.115 -3.456 -10.023 1.00 0.00 H new ATOM 0 HG SER A 55 9.148 -2.522 -9.371 1.00 0.00 H new ATOM 641 N HIS A 56 4.691 -4.291 -7.446 1.00 0.00 N ATOM 642 CA HIS A 56 4.174 -5.132 -6.330 1.00 0.00 C ATOM 643 C HIS A 56 4.964 -6.433 -6.213 1.00 0.00 C ATOM 644 O HIS A 56 5.130 -7.157 -7.170 1.00 0.00 O ATOM 645 CB HIS A 56 2.717 -5.480 -6.609 1.00 0.00 C ATOM 646 CG HIS A 56 1.830 -4.346 -6.186 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.299 -3.053 -6.012 1.00 0.00 N ATOM 648 CD2 HIS A 56 0.495 -4.300 -5.898 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.254 -2.296 -5.628 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.135 -3.010 -5.546 1.00 0.00 N ATOM 0 H HIS A 56 4.303 -4.507 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 56 4.274 -4.571 -5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.580 -5.684 -7.671 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.442 -6.388 -6.072 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.258 -2.734 -6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.178 -5.143 -5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.317 -1.239 -5.413 1.00 0.00 H new ATOM 658 N ARG A 57 5.414 -6.750 -5.032 1.00 0.00 N ATOM 659 CA ARG A 57 6.158 -8.024 -4.827 1.00 0.00 C ATOM 660 C ARG A 57 5.231 -9.000 -4.104 1.00 0.00 C ATOM 661 O ARG A 57 5.232 -9.096 -2.893 1.00 0.00 O ATOM 662 CB ARG A 57 7.414 -7.772 -3.984 1.00 0.00 C ATOM 663 CG ARG A 57 7.041 -7.060 -2.678 1.00 0.00 C ATOM 664 CD ARG A 57 7.920 -5.822 -2.500 1.00 0.00 C ATOM 665 NE ARG A 57 7.690 -4.881 -3.631 1.00 0.00 N ATOM 666 CZ ARG A 57 8.617 -4.027 -3.965 1.00 0.00 C ATOM 667 NH1 ARG A 57 8.832 -2.973 -3.224 1.00 0.00 N ATOM 668 NH2 ARG A 57 9.327 -4.224 -5.041 1.00 0.00 N ATOM 0 H ARG A 57 5.298 -6.179 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 57 6.469 -8.437 -5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.908 -8.718 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.123 -7.166 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.990 -6.773 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.172 -7.736 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.690 -5.333 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.970 -6.111 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 57 6.809 -4.904 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.275 -2.818 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.557 -2.305 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.157 -5.046 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.052 -3.556 -5.303 1.00 0.00 H new ATOM 682 N TYR A 58 4.418 -9.710 -4.832 1.00 0.00 N ATOM 683 CA TYR A 58 3.473 -10.651 -4.169 1.00 0.00 C ATOM 684 C TYR A 58 4.100 -12.037 -4.067 1.00 0.00 C ATOM 685 O TYR A 58 4.683 -12.536 -5.005 1.00 0.00 O ATOM 686 CB TYR A 58 2.173 -10.702 -4.973 1.00 0.00 C ATOM 687 CG TYR A 58 1.395 -9.436 -4.703 1.00 0.00 C ATOM 688 CD1 TYR A 58 1.278 -8.967 -3.391 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.803 -8.723 -5.753 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.574 -7.789 -3.125 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.097 -7.543 -5.484 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.018 -7.078 -4.168 1.00 0.00 C ATOM 693 OH TYR A 58 -0.717 -5.919 -3.899 1.00 0.00 O ATOM 0 H TYR A 58 4.366 -9.681 -5.850 1.00 0.00 H new ATOM 0 HA TYR A 58 3.254 -10.304 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.389 -10.795 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.586 -11.576 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.733 -9.517 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.890 -9.082 -6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.489 -7.429 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.359 -6.991 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.337 -5.484 -3.108 1.00 0.00 H new ATOM 703 N VAL A 59 3.996 -12.653 -2.919 1.00 0.00 N ATOM 704 CA VAL A 59 4.602 -14.003 -2.737 1.00 0.00 C ATOM 705 C VAL A 59 3.568 -15.004 -2.196 1.00 0.00 C ATOM 706 O VAL A 59 3.865 -16.171 -2.035 1.00 0.00 O ATOM 707 CB VAL A 59 5.768 -13.898 -1.754 1.00 0.00 C ATOM 708 CG1 VAL A 59 6.770 -12.860 -2.262 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.245 -13.463 -0.381 1.00 0.00 C ATOM 0 H VAL A 59 3.517 -12.279 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 59 4.953 -14.361 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 59 6.256 -14.869 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.602 -12.784 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.145 -13.164 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.278 -11.891 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.078 -13.389 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.757 -12.492 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.528 -14.198 -0.015 1.00 0.00 H new ATOM 719 N LEU A 60 2.364 -14.576 -1.910 1.00 0.00 N ATOM 720 CA LEU A 60 1.350 -15.535 -1.383 1.00 0.00 C ATOM 721 C LEU A 60 0.179 -15.626 -2.365 1.00 0.00 C ATOM 722 O LEU A 60 -0.236 -14.632 -2.925 1.00 0.00 O ATOM 723 CB LEU A 60 0.842 -15.046 -0.024 1.00 0.00 C ATOM 724 CG LEU A 60 0.693 -16.234 0.928 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.358 -15.905 2.265 1.00 0.00 C ATOM 726 CD2 LEU A 60 -0.794 -16.517 1.156 1.00 0.00 C ATOM 0 H LEU A 60 2.043 -13.614 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 60 1.804 -16.519 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.537 -14.317 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.116 -14.541 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 60 1.170 -17.111 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.251 -16.752 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.416 -15.700 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.881 -15.028 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.904 -17.363 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.269 -15.638 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.270 -16.751 0.204 1.00 0.00 H new ATOM 738 N PRO A 61 -0.321 -16.820 -2.542 1.00 0.00 N ATOM 739 CA PRO A 61 -1.450 -17.077 -3.449 1.00 0.00 C ATOM 740 C PRO A 61 -2.763 -16.651 -2.790 1.00 0.00 C ATOM 741 O PRO A 61 -3.230 -17.270 -1.855 1.00 0.00 O ATOM 742 CB PRO A 61 -1.405 -18.593 -3.658 1.00 0.00 C ATOM 743 CG PRO A 61 -0.638 -19.176 -2.448 1.00 0.00 C ATOM 744 CD PRO A 61 0.191 -18.022 -1.856 1.00 0.00 C ATOM 0 HA PRO A 61 -1.387 -16.524 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.411 -19.007 -3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.903 -18.842 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.330 -19.576 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.008 -19.998 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.060 -17.951 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.256 -18.162 -2.039 1.00 0.00 H new ATOM 752 N GLY A 62 -3.360 -15.596 -3.268 1.00 0.00 N ATOM 753 CA GLY A 62 -4.640 -15.128 -2.668 1.00 0.00 C ATOM 754 C GLY A 62 -4.993 -13.752 -3.232 1.00 0.00 C ATOM 755 O GLY A 62 -4.747 -13.461 -4.383 1.00 0.00 O ATOM 0 H GLY A 62 -3.017 -15.037 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.438 -15.838 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.548 -15.076 -1.583 1.00 0.00 H new ATOM 759 N ARG A 63 -5.567 -12.902 -2.430 1.00 0.00 N ATOM 760 CA ARG A 63 -5.934 -11.547 -2.925 1.00 0.00 C ATOM 761 C ARG A 63 -5.045 -10.495 -2.263 1.00 0.00 C ATOM 762 O ARG A 63 -4.421 -10.738 -1.248 1.00 0.00 O ATOM 763 CB ARG A 63 -7.399 -11.261 -2.593 1.00 0.00 C ATOM 764 CG ARG A 63 -7.569 -11.144 -1.077 1.00 0.00 C ATOM 765 CD ARG A 63 -8.740 -12.017 -0.628 1.00 0.00 C ATOM 766 NE ARG A 63 -9.992 -11.542 -1.281 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.844 -10.820 -0.608 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.538 -11.360 0.357 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.004 -9.558 -0.899 1.00 0.00 N ATOM 0 H ARG A 63 -5.798 -13.086 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.791 -11.509 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.718 -10.338 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.032 -12.059 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.654 -11.456 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.748 -10.105 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.553 -13.058 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.844 -11.975 0.456 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.183 -11.781 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.414 -12.347 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.205 -10.795 0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.462 -9.136 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.671 -8.994 -0.372 1.00 0.00 H new ATOM 783 N TYR A 64 -4.989 -9.326 -2.834 1.00 0.00 N ATOM 784 CA TYR A 64 -4.153 -8.237 -2.257 1.00 0.00 C ATOM 785 C TYR A 64 -4.842 -6.899 -2.534 1.00 0.00 C ATOM 786 O TYR A 64 -5.727 -6.810 -3.362 1.00 0.00 O ATOM 787 CB TYR A 64 -2.780 -8.225 -2.934 1.00 0.00 C ATOM 788 CG TYR A 64 -1.925 -9.381 -2.459 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.300 -9.342 -1.200 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.732 -10.481 -3.302 1.00 0.00 C ATOM 791 CE1 TYR A 64 -0.483 -10.406 -0.797 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.920 -11.544 -2.892 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.293 -11.506 -1.642 1.00 0.00 C ATOM 794 OH TYR A 64 0.521 -12.548 -1.247 1.00 0.00 O ATOM 0 H TYR A 64 -5.492 -9.075 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.031 -8.397 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.904 -8.282 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.274 -7.283 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.449 -8.495 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.210 -10.509 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.001 -10.378 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.777 -12.395 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 64 0.885 -12.359 -0.357 1.00 0.00 H new ATOM 804 N HIS A 65 -4.434 -5.855 -1.868 1.00 0.00 N ATOM 805 CA HIS A 65 -5.057 -4.522 -2.116 1.00 0.00 C ATOM 806 C HIS A 65 -3.952 -3.529 -2.471 1.00 0.00 C ATOM 807 O HIS A 65 -2.813 -3.706 -2.097 1.00 0.00 O ATOM 808 CB HIS A 65 -5.795 -4.049 -0.862 1.00 0.00 C ATOM 809 CG HIS A 65 -6.508 -2.760 -1.163 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.617 -2.704 -1.992 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.276 -1.468 -0.761 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.007 -1.418 -2.063 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.222 -0.622 -1.331 1.00 0.00 N ATOM 0 H HIS A 65 -3.697 -5.866 -1.163 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.773 -4.594 -2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.509 -4.806 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.090 -3.906 -0.043 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.480 -1.156 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.851 -1.072 -2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.300 0.388 -1.215 1.00 0.00 H new ATOM 821 N VAL A 66 -4.262 -2.496 -3.204 1.00 0.00 N ATOM 822 CA VAL A 66 -3.203 -1.527 -3.581 1.00 0.00 C ATOM 823 C VAL A 66 -3.682 -0.094 -3.372 1.00 0.00 C ATOM 824 O VAL A 66 -4.829 0.227 -3.594 1.00 0.00 O ATOM 825 CB VAL A 66 -2.868 -1.706 -5.052 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.595 -0.921 -5.377 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.657 -3.190 -5.353 1.00 0.00 C ATOM 0 H VAL A 66 -5.196 -2.284 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.329 -1.710 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.689 -1.334 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.350 -1.046 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.755 0.136 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.772 -1.293 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.417 -3.317 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.836 -3.571 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.568 -3.742 -5.119 1.00 0.00 H new ATOM 837 N THR A 67 -2.790 0.770 -2.979 1.00 0.00 N ATOM 838 CA THR A 67 -3.143 2.204 -2.785 1.00 0.00 C ATOM 839 C THR A 67 -1.885 3.023 -3.059 1.00 0.00 C ATOM 840 O THR A 67 -0.790 2.502 -3.003 1.00 0.00 O ATOM 841 CB THR A 67 -3.617 2.459 -1.350 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.558 3.039 -0.602 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.048 1.146 -0.694 1.00 0.00 C ATOM 0 H THR A 67 -1.816 0.540 -2.781 1.00 0.00 H new ATOM 0 HA THR A 67 -3.953 2.483 -3.459 1.00 0.00 H new ATOM 0 HB THR A 67 -4.469 3.138 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.858 3.205 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.382 1.341 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.864 0.704 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.205 0.456 -0.673 1.00 0.00 H new ATOM 851 N ALA A 68 -2.013 4.286 -3.361 1.00 0.00 N ATOM 852 CA ALA A 68 -0.785 5.090 -3.634 1.00 0.00 C ATOM 853 C ALA A 68 -1.010 6.559 -3.291 1.00 0.00 C ATOM 854 O ALA A 68 -2.118 7.048 -3.265 1.00 0.00 O ATOM 855 CB ALA A 68 -0.406 4.984 -5.115 1.00 0.00 C ATOM 0 H ALA A 68 -2.897 4.790 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 68 0.019 4.695 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.491 5.574 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.215 3.941 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.224 5.362 -5.728 1.00 0.00 H new ATOM 861 N VAL A 69 0.052 7.266 -3.043 1.00 0.00 N ATOM 862 CA VAL A 69 -0.058 8.710 -2.723 1.00 0.00 C ATOM 863 C VAL A 69 1.217 9.404 -3.205 1.00 0.00 C ATOM 864 O VAL A 69 2.279 9.233 -2.644 1.00 0.00 O ATOM 865 CB VAL A 69 -0.231 8.894 -1.214 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.955 8.283 -0.470 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.322 10.388 -0.893 1.00 0.00 C ATOM 0 H VAL A 69 1.004 6.899 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.925 9.146 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.145 8.392 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.821 8.420 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.016 7.218 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.875 8.774 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.445 10.522 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.591 10.886 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.177 10.821 -1.413 1.00 0.00 H new ATOM 877 N LEU A 70 1.129 10.175 -4.252 1.00 0.00 N ATOM 878 CA LEU A 70 2.356 10.851 -4.759 1.00 0.00 C ATOM 879 C LEU A 70 2.510 12.194 -4.062 1.00 0.00 C ATOM 880 O LEU A 70 1.544 12.816 -3.677 1.00 0.00 O ATOM 881 CB LEU A 70 2.278 11.104 -6.273 1.00 0.00 C ATOM 882 CG LEU A 70 1.142 10.326 -6.938 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.151 10.670 -8.423 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.342 8.819 -6.782 1.00 0.00 C ATOM 0 H LEU A 70 0.273 10.365 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 70 3.205 10.199 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.139 12.170 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.225 10.824 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 70 0.196 10.596 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.350 10.129 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.000 11.742 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.110 10.385 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.519 8.291 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.283 8.527 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.366 8.563 -5.723 1.00 0.00 H new ATOM 896 N ALA A 71 3.719 12.658 -3.909 1.00 0.00 N ATOM 897 CA ALA A 71 3.916 13.976 -3.250 1.00 0.00 C ATOM 898 C ALA A 71 4.835 14.841 -4.098 1.00 0.00 C ATOM 899 O ALA A 71 5.975 14.505 -4.353 1.00 0.00 O ATOM 900 CB ALA A 71 4.536 13.802 -1.869 1.00 0.00 C ATOM 0 H ALA A 71 4.572 12.185 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 71 2.942 14.454 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.671 14.779 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.878 13.194 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.503 13.309 -1.964 1.00 0.00 H new ATOM 906 N LEU A 72 4.341 15.957 -4.526 1.00 0.00 N ATOM 907 CA LEU A 72 5.160 16.879 -5.353 1.00 0.00 C ATOM 908 C LEU A 72 5.510 18.120 -4.537 1.00 0.00 C ATOM 909 O LEU A 72 6.340 18.919 -4.921 1.00 0.00 O ATOM 910 CB LEU A 72 4.339 17.305 -6.559 1.00 0.00 C ATOM 911 CG LEU A 72 4.679 16.416 -7.752 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.664 16.663 -8.870 1.00 0.00 C ATOM 913 CD2 LEU A 72 6.086 16.757 -8.248 1.00 0.00 C ATOM 0 H LEU A 72 3.391 16.278 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 72 6.075 16.378 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.276 17.233 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.544 18.348 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 72 4.643 15.368 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.903 16.030 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.663 16.426 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.703 17.710 -9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.334 16.125 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.122 17.804 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.806 16.586 -7.447 1.00 0.00 H new ATOM 925 N GLY A 73 4.859 18.295 -3.427 1.00 0.00 N ATOM 926 CA GLY A 73 5.116 19.495 -2.584 1.00 0.00 C ATOM 927 C GLY A 73 3.922 20.436 -2.722 1.00 0.00 C ATOM 928 O GLY A 73 3.384 20.926 -1.750 1.00 0.00 O ATOM 0 H GLY A 73 4.154 17.655 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.254 19.206 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.032 19.994 -2.901 1.00 0.00 H new ATOM 932 N ALA A 74 3.496 20.676 -3.933 1.00 0.00 N ATOM 933 CA ALA A 74 2.324 21.566 -4.158 1.00 0.00 C ATOM 934 C ALA A 74 1.159 20.751 -4.736 1.00 0.00 C ATOM 935 O ALA A 74 0.063 21.250 -4.895 1.00 0.00 O ATOM 936 CB ALA A 74 2.706 22.670 -5.144 1.00 0.00 C ATOM 0 H ALA A 74 3.913 20.291 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 74 2.021 22.009 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.849 23.322 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.532 23.253 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.010 22.223 -6.091 1.00 0.00 H new ATOM 942 N GLY A 75 1.385 19.502 -5.053 1.00 0.00 N ATOM 943 CA GLY A 75 0.290 18.663 -5.621 1.00 0.00 C ATOM 944 C GLY A 75 0.502 17.202 -5.217 1.00 0.00 C ATOM 945 O GLY A 75 1.593 16.795 -4.873 1.00 0.00 O ATOM 0 H GLY A 75 2.281 19.028 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.676 19.015 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.276 18.752 -6.707 1.00 0.00 H new ATOM 949 N SER A 76 -0.536 16.410 -5.250 1.00 0.00 N ATOM 950 CA SER A 76 -0.397 14.977 -4.864 1.00 0.00 C ATOM 951 C SER A 76 -1.428 14.143 -5.627 1.00 0.00 C ATOM 952 O SER A 76 -2.332 14.670 -6.242 1.00 0.00 O ATOM 953 CB SER A 76 -0.636 14.839 -3.360 1.00 0.00 C ATOM 954 OG SER A 76 -1.793 14.044 -3.137 1.00 0.00 O ATOM 0 H SER A 76 -1.475 16.694 -5.528 1.00 0.00 H new ATOM 0 HA SER A 76 0.605 14.623 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.231 14.381 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.765 15.823 -2.909 1.00 0.00 H new ATOM 0 HG SER A 76 -1.947 13.953 -2.173 1.00 0.00 H new ATOM 960 N ALA A 77 -1.301 12.844 -5.592 1.00 0.00 N ATOM 961 CA ALA A 77 -2.276 11.979 -6.315 1.00 0.00 C ATOM 962 C ALA A 77 -2.566 10.731 -5.477 1.00 0.00 C ATOM 963 O ALA A 77 -1.667 10.094 -4.971 1.00 0.00 O ATOM 964 CB ALA A 77 -1.677 11.571 -7.659 1.00 0.00 C ATOM 0 H ALA A 77 -0.564 12.345 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.206 12.524 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.384 10.938 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.468 12.463 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.751 11.021 -7.493 1.00 0.00 H new ATOM 970 N LEU A 78 -3.816 10.383 -5.315 1.00 0.00 N ATOM 971 CA LEU A 78 -4.156 9.184 -4.493 1.00 0.00 C ATOM 972 C LEU A 78 -4.485 7.995 -5.394 1.00 0.00 C ATOM 973 O LEU A 78 -5.011 8.147 -6.479 1.00 0.00 O ATOM 974 CB LEU A 78 -5.359 9.501 -3.603 1.00 0.00 C ATOM 975 CG LEU A 78 -5.100 10.800 -2.836 1.00 0.00 C ATOM 976 CD1 LEU A 78 -5.902 11.938 -3.471 1.00 0.00 C ATOM 977 CD2 LEU A 78 -5.536 10.627 -1.380 1.00 0.00 C ATOM 0 H LEU A 78 -4.614 10.876 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.297 8.927 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.259 9.599 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.533 8.683 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.037 11.037 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.717 12.863 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.596 12.063 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.965 11.700 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.352 11.552 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.599 10.390 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.968 9.816 -0.924 1.00 0.00 H new ATOM 989 N LEU A 79 -4.161 6.810 -4.949 1.00 0.00 N ATOM 990 CA LEU A 79 -4.429 5.598 -5.765 1.00 0.00 C ATOM 991 C LEU A 79 -5.077 4.521 -4.898 1.00 0.00 C ATOM 992 O LEU A 79 -4.979 4.539 -3.686 1.00 0.00 O ATOM 993 CB LEU A 79 -3.097 5.070 -6.297 1.00 0.00 C ATOM 994 CG LEU A 79 -3.186 4.752 -7.786 1.00 0.00 C ATOM 995 CD1 LEU A 79 -3.345 3.246 -7.969 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.366 5.494 -8.409 1.00 0.00 C ATOM 0 H LEU A 79 -3.719 6.632 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.100 5.849 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.315 5.810 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.812 4.173 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.274 5.078 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.409 3.013 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.485 2.734 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.255 2.913 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.422 5.261 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.290 5.184 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.230 6.568 -8.279 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.727 3.577 -5.522 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.387 2.479 -4.760 1.00 0.00 C ATOM 1010 C GLY A 80 -6.840 1.385 -5.734 1.00 0.00 C ATOM 1011 O GLY A 80 -7.950 1.405 -6.224 1.00 0.00 O ATOM 0 H GLY A 80 -5.830 3.519 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.696 2.065 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.243 2.868 -4.208 1.00 0.00 H new ATOM 1015 N THR A 81 -5.991 0.428 -6.020 1.00 0.00 N ATOM 1016 CA THR A 81 -6.383 -0.661 -6.970 1.00 0.00 C ATOM 1017 C THR A 81 -6.517 -1.988 -6.218 1.00 0.00 C ATOM 1018 O THR A 81 -6.234 -2.080 -5.043 1.00 0.00 O ATOM 1019 CB THR A 81 -5.322 -0.818 -8.074 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.701 -2.091 -7.960 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.256 0.271 -7.951 1.00 0.00 C ATOM 0 H THR A 81 -5.048 0.353 -5.639 1.00 0.00 H new ATOM 0 HA THR A 81 -7.338 -0.394 -7.422 1.00 0.00 H new ATOM 0 HB THR A 81 -5.813 -0.728 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.027 -2.190 -8.664 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.514 0.145 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.724 1.251 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.769 0.195 -6.979 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.938 -3.022 -6.900 1.00 0.00 N ATOM 1030 CA ASP A 82 -7.079 -4.352 -6.245 1.00 0.00 C ATOM 1031 C ASP A 82 -6.132 -5.340 -6.930 1.00 0.00 C ATOM 1032 O ASP A 82 -5.758 -5.158 -8.071 1.00 0.00 O ATOM 1033 CB ASP A 82 -8.518 -4.847 -6.384 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.737 -6.038 -5.450 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.535 -5.874 -4.256 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -9.096 -7.095 -5.943 1.00 0.00 O ATOM 0 H ASP A 82 -7.191 -2.999 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.832 -4.269 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.215 -4.046 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.716 -5.138 -7.416 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.732 -6.377 -6.245 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.798 -7.359 -6.867 1.00 0.00 C ATOM 1043 C VAL A 83 -5.270 -8.788 -6.579 1.00 0.00 C ATOM 1044 O VAL A 83 -5.767 -9.087 -5.513 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.400 -7.151 -6.282 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.514 -8.362 -6.585 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.775 -5.899 -6.899 1.00 0.00 C ATOM 0 H VAL A 83 -6.010 -6.586 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.776 -7.208 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.481 -7.032 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.522 -8.201 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.956 -9.255 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.433 -8.493 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.778 -5.748 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.703 -6.023 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.397 -5.033 -6.674 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.105 -9.675 -7.526 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.526 -11.089 -7.318 1.00 0.00 C ATOM 1059 C GLN A 84 -4.387 -12.018 -7.749 1.00 0.00 C ATOM 1060 O GLN A 84 -4.148 -12.219 -8.923 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.769 -11.380 -8.158 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.973 -11.573 -7.236 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.254 -11.611 -8.069 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -10.145 -10.808 -7.872 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.386 -12.516 -9.000 1.00 0.00 N ATOM 0 H GLN A 84 -4.694 -9.478 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.757 -11.254 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.955 -10.558 -8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.612 -12.274 -8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.867 -12.499 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.023 -10.761 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.639 -13.190 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.237 -12.549 -9.562 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.678 -12.576 -6.807 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.547 -13.482 -7.159 1.00 0.00 C ATOM 1076 C VAL A 85 -2.969 -14.942 -6.972 1.00 0.00 C ATOM 1077 O VAL A 85 -3.528 -15.313 -5.962 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.361 -13.164 -6.250 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.210 -14.124 -6.547 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.903 -11.728 -6.510 1.00 0.00 C ATOM 0 H VAL A 85 -3.833 -12.444 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.265 -13.331 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.661 -13.275 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.633 -13.893 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.536 -15.149 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.095 -14.016 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.056 -11.494 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.604 -11.625 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.722 -11.041 -6.298 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.702 -15.775 -7.943 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.086 -17.212 -7.828 1.00 0.00 C ATOM 1092 C GLU A 86 -1.846 -18.044 -7.481 1.00 0.00 C ATOM 1093 O GLU A 86 -0.854 -17.526 -7.012 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.668 -17.688 -9.161 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.789 -16.744 -9.594 1.00 0.00 C ATOM 1096 CD GLU A 86 -4.435 -16.118 -10.944 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -4.514 -16.819 -11.939 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -4.088 -14.948 -10.958 1.00 0.00 O ATOM 0 H GLU A 86 -2.233 -15.521 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.832 -17.331 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.888 -17.716 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.052 -18.703 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.730 -17.290 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.932 -15.964 -8.846 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.892 -19.331 -7.708 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.713 -20.188 -7.391 1.00 0.00 C ATOM 1107 C ALA A 87 -0.532 -21.234 -8.495 1.00 0.00 C ATOM 1108 O ALA A 87 -1.453 -21.941 -8.850 1.00 0.00 O ATOM 1109 CB ALA A 87 -0.938 -20.898 -6.055 1.00 0.00 C ATOM 0 H ALA A 87 -2.695 -19.825 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 87 0.179 -19.565 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.075 -21.524 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.069 -20.157 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.831 -21.520 -6.119 1.00 0.00 H new TER 1115 ALA A 87