USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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= -21.9! C(o=-27!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot -30:sc= -5.25! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-2.8!) USER MOD Single : A 19 SER OG : rot 58:sc= 1.25 USER MOD Single : A 21 GLN : amide:sc= -0.479 K(o=-0.48,f=-3.9!) USER MOD Single : A 26 HIS : no HE2:sc= -15.1! C(o=-15!,f=-12!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -73:sc= 1.62 USER MOD Single : A 44 SER OG : rot -69:sc= -0.886 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 64 TYR OH : rot -15:sc= -0.562 USER MOD Single : A 65 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.57) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -0.737 USER MOD Single : A 84 GLN : amide:sc= -0.209 K(o=-0.21,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.593 9.879 -9.608 1.00 0.00 N ATOM 2 CA ALA A 8 -4.623 9.542 -10.688 1.00 0.00 C ATOM 3 C ALA A 8 -5.061 8.253 -11.378 1.00 0.00 C ATOM 4 O ALA A 8 -6.008 7.610 -10.972 1.00 0.00 O ATOM 5 CB ALA A 8 -3.235 9.352 -10.072 1.00 0.00 C ATOM 0 HA ALA A 8 -4.589 10.348 -11.421 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.520 9.105 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.927 10.273 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.268 8.542 -9.343 1.00 0.00 H new ATOM 11 N THR A 9 -4.376 7.868 -12.414 1.00 0.00 N ATOM 12 CA THR A 9 -4.742 6.624 -13.129 1.00 0.00 C ATOM 13 C THR A 9 -4.002 5.471 -12.475 1.00 0.00 C ATOM 14 O THR A 9 -2.853 5.602 -12.085 1.00 0.00 O ATOM 15 CB THR A 9 -4.357 6.740 -14.604 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.415 6.240 -15.408 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.084 5.940 -14.884 1.00 0.00 C ATOM 0 H THR A 9 -3.573 8.367 -12.797 1.00 0.00 H new ATOM 0 HA THR A 9 -5.817 6.453 -13.073 1.00 0.00 H new ATOM 0 HB THR A 9 -4.176 7.788 -14.841 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.171 6.315 -16.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.821 6.031 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.269 6.327 -14.272 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.253 4.891 -14.642 1.00 0.00 H new ATOM 25 N LEU A 10 -4.673 4.364 -12.329 1.00 0.00 N ATOM 26 CA LEU A 10 -4.065 3.184 -11.666 1.00 0.00 C ATOM 27 C LEU A 10 -3.523 2.223 -12.722 1.00 0.00 C ATOM 28 O LEU A 10 -4.216 1.330 -13.168 1.00 0.00 O ATOM 29 CB LEU A 10 -5.146 2.459 -10.855 1.00 0.00 C ATOM 30 CG LEU A 10 -5.583 3.310 -9.656 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.126 4.664 -10.126 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.680 2.571 -8.888 1.00 0.00 C ATOM 0 H LEU A 10 -5.632 4.227 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.254 3.511 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.006 2.249 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.765 1.499 -10.507 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.720 3.480 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.431 5.254 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.349 5.198 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.985 4.505 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.994 3.172 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.533 2.400 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.296 1.614 -8.536 1.00 0.00 H new ATOM 44 N VAL A 11 -2.295 2.380 -13.124 1.00 0.00 N ATOM 45 CA VAL A 11 -1.737 1.453 -14.143 1.00 0.00 C ATOM 46 C VAL A 11 -0.901 0.385 -13.442 1.00 0.00 C ATOM 47 O VAL A 11 0.136 0.669 -12.886 1.00 0.00 O ATOM 48 CB VAL A 11 -0.866 2.229 -15.123 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.295 1.258 -16.161 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.720 3.279 -15.834 1.00 0.00 C ATOM 0 H VAL A 11 -1.658 3.105 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.551 0.979 -14.692 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.053 2.719 -14.587 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.330 1.806 -16.867 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.305 0.499 -15.658 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.113 0.777 -16.698 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.101 3.837 -16.536 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.528 2.786 -16.375 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.141 3.964 -15.098 1.00 0.00 H new ATOM 60 N GLY A 12 -1.341 -0.842 -13.461 1.00 0.00 N ATOM 61 CA GLY A 12 -0.562 -1.922 -12.788 1.00 0.00 C ATOM 62 C GLY A 12 -0.251 -3.036 -13.793 1.00 0.00 C ATOM 63 O GLY A 12 -0.811 -4.112 -13.716 1.00 0.00 O ATOM 0 H GLY A 12 -2.204 -1.145 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.364 -1.516 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.129 -2.324 -11.949 1.00 0.00 H new ATOM 67 N PRO A 13 0.634 -2.738 -14.713 1.00 0.00 N ATOM 68 CA PRO A 13 1.049 -3.691 -15.763 1.00 0.00 C ATOM 69 C PRO A 13 1.961 -4.800 -15.212 1.00 0.00 C ATOM 70 O PRO A 13 2.711 -4.613 -14.267 1.00 0.00 O ATOM 71 CB PRO A 13 1.806 -2.817 -16.766 1.00 0.00 C ATOM 72 CG PRO A 13 2.264 -1.565 -15.986 1.00 0.00 C ATOM 73 CD PRO A 13 1.299 -1.422 -14.796 1.00 0.00 C ATOM 0 HA PRO A 13 0.198 -4.213 -16.200 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.661 -3.351 -17.181 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.165 -2.541 -17.604 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.292 -1.676 -15.642 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.234 -0.679 -16.620 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.833 -1.186 -13.876 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.579 -0.621 -14.961 1.00 0.00 H new ATOM 81 N HIS A 14 1.895 -5.951 -15.830 1.00 0.00 N ATOM 82 CA HIS A 14 2.737 -7.108 -15.407 1.00 0.00 C ATOM 83 C HIS A 14 2.251 -8.369 -16.117 1.00 0.00 C ATOM 84 O HIS A 14 3.026 -9.215 -16.517 1.00 0.00 O ATOM 85 CB HIS A 14 2.631 -7.328 -13.898 1.00 0.00 C ATOM 86 CG HIS A 14 3.320 -8.616 -13.543 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.626 -9.735 -13.116 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.644 -8.979 -13.554 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.526 -10.708 -12.887 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.771 -10.301 -13.138 1.00 0.00 N ATOM 0 H HIS A 14 1.282 -6.140 -16.623 1.00 0.00 H new ATOM 0 HA HIS A 14 3.774 -6.896 -15.667 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.089 -6.496 -13.363 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.585 -7.365 -13.595 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.463 -8.336 -13.842 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.271 -11.699 -12.542 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.631 -10.842 -13.045 1.00 0.00 H new ATOM 98 N GLY A 15 0.968 -8.498 -16.254 1.00 0.00 N ATOM 99 CA GLY A 15 0.392 -9.704 -16.912 1.00 0.00 C ATOM 100 C GLY A 15 -0.300 -10.546 -15.841 1.00 0.00 C ATOM 101 O GLY A 15 -0.956 -10.009 -14.971 1.00 0.00 O ATOM 0 H GLY A 15 0.282 -7.814 -15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.319 -9.412 -17.685 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.176 -10.281 -17.402 1.00 0.00 H new ATOM 105 N PRO A 16 -0.118 -11.835 -15.916 1.00 0.00 N ATOM 106 CA PRO A 16 -0.701 -12.760 -14.938 1.00 0.00 C ATOM 107 C PRO A 16 0.126 -12.721 -13.657 1.00 0.00 C ATOM 108 O PRO A 16 1.323 -12.523 -13.689 1.00 0.00 O ATOM 109 CB PRO A 16 -0.601 -14.123 -15.618 1.00 0.00 C ATOM 110 CG PRO A 16 0.518 -13.996 -16.680 1.00 0.00 C ATOM 111 CD PRO A 16 0.681 -12.490 -16.970 1.00 0.00 C ATOM 0 HA PRO A 16 -1.727 -12.518 -14.660 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.364 -14.902 -14.894 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.549 -14.397 -16.082 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.451 -14.423 -16.313 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.254 -14.539 -17.588 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.727 -12.186 -16.925 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.317 -12.233 -17.965 1.00 0.00 H new ATOM 119 N LEU A 17 -0.497 -12.897 -12.531 1.00 0.00 N ATOM 120 CA LEU A 17 0.264 -12.852 -11.254 1.00 0.00 C ATOM 121 C LEU A 17 0.183 -14.206 -10.557 1.00 0.00 C ATOM 122 O LEU A 17 -0.778 -14.511 -9.882 1.00 0.00 O ATOM 123 CB LEU A 17 -0.326 -11.772 -10.345 1.00 0.00 C ATOM 124 CG LEU A 17 -0.024 -10.392 -10.932 1.00 0.00 C ATOM 125 CD1 LEU A 17 -1.265 -9.505 -10.815 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.135 -9.751 -10.163 1.00 0.00 C ATOM 0 H LEU A 17 -1.498 -13.070 -12.437 1.00 0.00 H new ATOM 0 HA LEU A 17 1.308 -12.619 -11.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.403 -11.911 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.096 -11.854 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 17 0.251 -10.497 -11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.050 -8.522 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.090 -9.960 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.540 -9.401 -9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.350 -8.768 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.861 -9.646 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.020 -10.382 -10.246 1.00 0.00 H new ATOM 138 N ALA A 18 1.191 -15.016 -10.705 1.00 0.00 N ATOM 139 CA ALA A 18 1.175 -16.342 -10.036 1.00 0.00 C ATOM 140 C ALA A 18 1.763 -16.183 -8.636 1.00 0.00 C ATOM 141 O ALA A 18 2.376 -15.181 -8.326 1.00 0.00 O ATOM 142 CB ALA A 18 2.014 -17.336 -10.839 1.00 0.00 C ATOM 0 H ALA A 18 2.024 -14.817 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 18 0.153 -16.717 -9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.999 -18.307 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.601 -17.434 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.041 -16.977 -10.903 1.00 0.00 H new ATOM 148 N SER A 19 1.581 -17.153 -7.787 1.00 0.00 N ATOM 149 CA SER A 19 2.132 -17.043 -6.409 1.00 0.00 C ATOM 150 C SER A 19 3.655 -16.911 -6.483 1.00 0.00 C ATOM 151 O SER A 19 4.345 -17.816 -6.907 1.00 0.00 O ATOM 152 CB SER A 19 1.764 -18.291 -5.608 1.00 0.00 C ATOM 153 OG SER A 19 2.670 -18.431 -4.523 1.00 0.00 O ATOM 0 H SER A 19 1.075 -18.016 -7.987 1.00 0.00 H new ATOM 0 HA SER A 19 1.713 -16.165 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.742 -18.212 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.803 -19.173 -6.247 1.00 0.00 H new ATOM 0 HG SER A 19 2.638 -17.626 -3.964 1.00 0.00 H new ATOM 159 N GLY A 20 4.181 -15.790 -6.075 1.00 0.00 N ATOM 160 CA GLY A 20 5.656 -15.598 -6.121 1.00 0.00 C ATOM 161 C GLY A 20 6.023 -14.716 -7.318 1.00 0.00 C ATOM 162 O GLY A 20 7.006 -14.948 -7.991 1.00 0.00 O ATOM 0 H GLY A 20 3.652 -14.998 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.002 -15.136 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.156 -16.563 -6.201 1.00 0.00 H new ATOM 166 N GLN A 21 5.241 -13.706 -7.590 1.00 0.00 N ATOM 167 CA GLN A 21 5.554 -12.813 -8.746 1.00 0.00 C ATOM 168 C GLN A 21 5.399 -11.348 -8.333 1.00 0.00 C ATOM 169 O GLN A 21 4.661 -11.021 -7.424 1.00 0.00 O ATOM 170 CB GLN A 21 4.596 -13.114 -9.899 1.00 0.00 C ATOM 171 CG GLN A 21 5.379 -13.713 -11.068 1.00 0.00 C ATOM 172 CD GLN A 21 5.153 -15.225 -11.112 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.968 -15.854 -10.088 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.161 -15.839 -12.263 1.00 0.00 N ATOM 0 H GLN A 21 4.402 -13.460 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 21 6.581 -12.992 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.822 -13.809 -9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.092 -12.201 -10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.058 -13.259 -12.005 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.441 -13.496 -10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.316 -15.311 -13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.012 -16.847 -12.304 1.00 0.00 H new ATOM 183 N LEU A 22 6.090 -10.461 -9.000 1.00 0.00 N ATOM 184 CA LEU A 22 5.979 -9.020 -8.649 1.00 0.00 C ATOM 185 C LEU A 22 5.370 -8.253 -9.828 1.00 0.00 C ATOM 186 O LEU A 22 5.827 -8.343 -10.950 1.00 0.00 O ATOM 187 CB LEU A 22 7.375 -8.468 -8.286 1.00 0.00 C ATOM 188 CG LEU A 22 7.778 -7.297 -9.199 1.00 0.00 C ATOM 189 CD1 LEU A 22 6.924 -6.068 -8.901 1.00 0.00 C ATOM 190 CD2 LEU A 22 9.234 -6.927 -8.937 1.00 0.00 C ATOM 0 H LEU A 22 6.724 -10.674 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 22 5.327 -8.895 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.377 -8.137 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.114 -9.265 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 22 7.634 -7.606 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.223 -5.250 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.874 -6.305 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.064 -5.771 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.521 -6.097 -9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.353 -6.632 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.871 -7.786 -9.146 1.00 0.00 H new ATOM 202 N ALA A 23 4.340 -7.491 -9.573 1.00 0.00 N ATOM 203 CA ALA A 23 3.699 -6.698 -10.662 1.00 0.00 C ATOM 204 C ALA A 23 4.335 -5.317 -10.684 1.00 0.00 C ATOM 205 O ALA A 23 4.713 -4.799 -9.664 1.00 0.00 O ATOM 206 CB ALA A 23 2.214 -6.529 -10.368 1.00 0.00 C ATOM 0 H ALA A 23 3.913 -7.383 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 23 3.832 -7.210 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.749 -5.949 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.741 -7.509 -10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.088 -6.007 -9.419 1.00 0.00 H new ATOM 212 N ALA A 24 4.441 -4.685 -11.812 1.00 0.00 N ATOM 213 CA ALA A 24 5.045 -3.331 -11.800 1.00 0.00 C ATOM 214 C ALA A 24 3.926 -2.314 -11.977 1.00 0.00 C ATOM 215 O ALA A 24 3.169 -2.375 -12.916 1.00 0.00 O ATOM 216 CB ALA A 24 6.079 -3.223 -12.907 1.00 0.00 C ATOM 0 H ALA A 24 4.144 -5.036 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 24 5.555 -3.138 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.521 -2.227 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.859 -3.968 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.600 -3.396 -13.871 1.00 0.00 H new ATOM 222 N PHE A 25 3.784 -1.421 -11.042 1.00 0.00 N ATOM 223 CA PHE A 25 2.672 -0.433 -11.108 1.00 0.00 C ATOM 224 C PHE A 25 3.173 0.959 -11.509 1.00 0.00 C ATOM 225 O PHE A 25 4.356 1.234 -11.531 1.00 0.00 O ATOM 226 CB PHE A 25 2.050 -0.315 -9.718 1.00 0.00 C ATOM 227 CG PHE A 25 1.352 -1.593 -9.309 1.00 0.00 C ATOM 228 CD1 PHE A 25 2.062 -2.801 -9.186 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.015 -1.557 -9.017 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.392 -3.959 -8.774 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.679 -2.716 -8.610 1.00 0.00 C ATOM 232 CZ PHE A 25 0.024 -3.917 -8.488 1.00 0.00 C ATOM 0 H PHE A 25 4.393 -1.331 -10.229 1.00 0.00 H new ATOM 0 HA PHE A 25 1.955 -0.779 -11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.826 -0.075 -8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.337 0.509 -9.707 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.118 -2.835 -9.408 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.560 -0.629 -9.107 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.934 -4.888 -8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.736 -2.684 -8.390 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.489 -4.813 -8.173 1.00 0.00 H new ATOM 242 N HIS A 26 2.248 1.845 -11.780 1.00 0.00 N ATOM 243 CA HIS A 26 2.595 3.247 -12.135 1.00 0.00 C ATOM 244 C HIS A 26 1.311 4.086 -12.061 1.00 0.00 C ATOM 245 O HIS A 26 0.239 3.639 -12.427 1.00 0.00 O ATOM 246 CB HIS A 26 3.252 3.308 -13.528 1.00 0.00 C ATOM 247 CG HIS A 26 2.294 3.782 -14.588 1.00 0.00 C ATOM 248 ND1 HIS A 26 2.079 3.069 -15.754 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.538 4.917 -14.701 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.227 3.781 -16.514 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.866 4.919 -15.917 1.00 0.00 N ATOM 0 H HIS A 26 1.247 1.647 -11.769 1.00 0.00 H new ATOM 0 HA HIS A 26 3.325 3.652 -11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.112 3.976 -13.493 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.627 2.320 -13.795 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.491 2.167 -15.994 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.473 5.696 -13.955 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.878 3.470 -17.488 1.00 0.00 H new ATOM 259 N ILE A 27 1.408 5.287 -11.553 1.00 0.00 N ATOM 260 CA ILE A 27 0.198 6.155 -11.411 1.00 0.00 C ATOM 261 C ILE A 27 0.279 7.303 -12.416 1.00 0.00 C ATOM 262 O ILE A 27 1.353 7.745 -12.770 1.00 0.00 O ATOM 263 CB ILE A 27 0.160 6.709 -9.982 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.701 5.650 -9.032 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.274 7.033 -9.569 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.183 4.410 -9.137 1.00 0.00 C ATOM 0 H ILE A 27 2.279 5.708 -11.228 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.707 5.579 -11.605 1.00 0.00 H new ATOM 0 HB ILE A 27 0.761 7.618 -9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.732 5.403 -9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.707 6.026 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.280 7.425 -8.552 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.688 7.779 -10.248 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.879 6.127 -9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.190 3.639 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.206 4.668 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.165 4.036 -10.161 1.00 0.00 H new ATOM 278 N ALA A 28 -0.837 7.780 -12.903 1.00 0.00 N ATOM 279 CA ALA A 28 -0.771 8.889 -13.910 1.00 0.00 C ATOM 280 C ALA A 28 -1.757 10.020 -13.585 1.00 0.00 C ATOM 281 O ALA A 28 -2.947 9.814 -13.518 1.00 0.00 O ATOM 282 CB ALA A 28 -1.129 8.332 -15.283 1.00 0.00 C ATOM 0 H ALA A 28 -1.774 7.461 -12.656 1.00 0.00 H new ATOM 0 HA ALA A 28 0.241 9.294 -13.891 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.084 9.131 -16.023 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.422 7.547 -15.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.137 7.919 -15.256 1.00 0.00 H new ATOM 288 N ALA A 29 -1.271 11.222 -13.428 1.00 0.00 N ATOM 289 CA ALA A 29 -2.183 12.376 -13.151 1.00 0.00 C ATOM 290 C ALA A 29 -1.351 13.637 -12.894 1.00 0.00 C ATOM 291 O ALA A 29 -1.451 14.596 -13.632 1.00 0.00 O ATOM 292 CB ALA A 29 -3.068 12.085 -11.938 1.00 0.00 C ATOM 0 H ALA A 29 -0.280 11.458 -13.479 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.825 12.531 -14.019 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.724 12.936 -11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.671 11.198 -12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.441 11.913 -11.063 1.00 0.00 H new ATOM 298 N PRO A 30 -0.546 13.599 -11.861 1.00 0.00 N ATOM 299 CA PRO A 30 0.320 14.733 -11.499 1.00 0.00 C ATOM 300 C PRO A 30 1.554 14.748 -12.402 1.00 0.00 C ATOM 301 O PRO A 30 2.644 14.486 -11.958 1.00 0.00 O ATOM 302 CB PRO A 30 0.706 14.432 -10.049 1.00 0.00 C ATOM 303 CG PRO A 30 0.522 12.911 -9.847 1.00 0.00 C ATOM 304 CD PRO A 30 -0.422 12.432 -10.959 1.00 0.00 C ATOM 0 HA PRO A 30 -0.159 15.706 -11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.737 14.726 -9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.078 14.993 -9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.480 12.394 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.102 12.699 -8.864 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.014 11.567 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.391 12.135 -10.558 1.00 0.00 H new ATOM 312 N LEU A 31 1.358 15.036 -13.669 1.00 0.00 N ATOM 313 CA LEU A 31 2.476 15.062 -14.677 1.00 0.00 C ATOM 314 C LEU A 31 3.876 15.097 -14.033 1.00 0.00 C ATOM 315 O LEU A 31 4.642 14.170 -14.209 1.00 0.00 O ATOM 316 CB LEU A 31 2.297 16.268 -15.602 1.00 0.00 C ATOM 317 CG LEU A 31 1.709 15.797 -16.933 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.182 15.751 -16.830 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.117 16.768 -18.042 1.00 0.00 C ATOM 0 H LEU A 31 0.443 15.261 -14.059 1.00 0.00 H new ATOM 0 HA LEU A 31 2.419 14.132 -15.243 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.638 17.002 -15.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.255 16.760 -15.768 1.00 0.00 H new ATOM 0 HG LEU A 31 2.087 14.801 -17.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.237 15.415 -17.779 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.109 15.059 -16.040 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.197 16.746 -16.598 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.698 16.433 -18.991 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.740 17.764 -17.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.204 16.800 -18.116 1.00 0.00 H new ATOM 331 N PRO A 32 4.188 16.154 -13.317 1.00 0.00 N ATOM 332 CA PRO A 32 5.506 16.291 -12.667 1.00 0.00 C ATOM 333 C PRO A 32 5.579 15.458 -11.377 1.00 0.00 C ATOM 334 O PRO A 32 5.563 15.994 -10.287 1.00 0.00 O ATOM 335 CB PRO A 32 5.594 17.786 -12.352 1.00 0.00 C ATOM 336 CG PRO A 32 4.139 18.311 -12.306 1.00 0.00 C ATOM 337 CD PRO A 32 3.280 17.298 -13.089 1.00 0.00 C ATOM 0 HA PRO A 32 6.324 15.936 -13.294 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.097 17.953 -11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.172 18.310 -13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.792 18.400 -11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.071 19.303 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.399 17.000 -12.521 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.926 17.719 -14.030 1.00 0.00 H new ATOM 345 N VAL A 33 5.674 14.155 -11.485 1.00 0.00 N ATOM 346 CA VAL A 33 5.762 13.316 -10.251 1.00 0.00 C ATOM 347 C VAL A 33 7.224 13.002 -9.947 1.00 0.00 C ATOM 348 O VAL A 33 7.993 12.658 -10.822 1.00 0.00 O ATOM 349 CB VAL A 33 5.015 11.990 -10.436 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.720 11.385 -9.062 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.699 12.225 -11.166 1.00 0.00 C ATOM 0 H VAL A 33 5.694 13.641 -12.366 1.00 0.00 H new ATOM 0 HA VAL A 33 5.310 13.875 -9.432 1.00 0.00 H new ATOM 0 HB VAL A 33 5.634 11.312 -11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.189 10.441 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.657 11.207 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.104 12.075 -8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.178 11.276 -11.291 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.077 12.906 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.899 12.661 -12.145 1.00 0.00 H new ATOM 361 N THR A 34 7.605 13.098 -8.707 1.00 0.00 N ATOM 362 CA THR A 34 9.011 12.786 -8.329 1.00 0.00 C ATOM 363 C THR A 34 9.028 11.569 -7.401 1.00 0.00 C ATOM 364 O THR A 34 10.056 10.958 -7.185 1.00 0.00 O ATOM 365 CB THR A 34 9.635 13.997 -7.625 1.00 0.00 C ATOM 366 OG1 THR A 34 10.857 13.613 -7.011 1.00 0.00 O ATOM 367 CG2 THR A 34 8.673 14.530 -6.561 1.00 0.00 C ATOM 0 H THR A 34 7.002 13.380 -7.934 1.00 0.00 H new ATOM 0 HA THR A 34 9.591 12.561 -9.224 1.00 0.00 H new ATOM 0 HB THR A 34 9.828 14.779 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.256 14.388 -6.563 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.121 15.390 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.738 14.830 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.474 13.749 -5.827 1.00 0.00 H new ATOM 375 N ALA A 35 7.898 11.210 -6.855 1.00 0.00 N ATOM 376 CA ALA A 35 7.842 10.039 -5.949 1.00 0.00 C ATOM 377 C ALA A 35 6.400 9.819 -5.479 1.00 0.00 C ATOM 378 O ALA A 35 5.633 10.753 -5.331 1.00 0.00 O ATOM 379 CB ALA A 35 8.724 10.320 -4.741 1.00 0.00 C ATOM 0 H ALA A 35 7.007 11.685 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 35 8.189 9.148 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.694 9.467 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.750 10.486 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.360 11.208 -4.224 1.00 0.00 H new ATOM 385 N THR A 36 6.036 8.593 -5.219 1.00 0.00 N ATOM 386 CA THR A 36 4.656 8.310 -4.727 1.00 0.00 C ATOM 387 C THR A 36 4.747 7.290 -3.592 1.00 0.00 C ATOM 388 O THR A 36 5.516 6.354 -3.654 1.00 0.00 O ATOM 389 CB THR A 36 3.775 7.727 -5.839 1.00 0.00 C ATOM 390 OG1 THR A 36 3.091 6.590 -5.340 1.00 0.00 O ATOM 391 CG2 THR A 36 4.622 7.319 -7.041 1.00 0.00 C ATOM 0 H THR A 36 6.634 7.774 -5.326 1.00 0.00 H new ATOM 0 HA THR A 36 4.209 9.244 -4.387 1.00 0.00 H new ATOM 0 HB THR A 36 3.062 8.487 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.719 5.843 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.977 6.908 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.147 8.192 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.348 6.565 -6.736 1.00 0.00 H new ATOM 399 N ARG A 37 3.972 7.458 -2.558 1.00 0.00 N ATOM 400 CA ARG A 37 4.022 6.486 -1.435 1.00 0.00 C ATOM 401 C ARG A 37 2.958 5.413 -1.654 1.00 0.00 C ATOM 402 O ARG A 37 1.781 5.661 -1.534 1.00 0.00 O ATOM 403 CB ARG A 37 3.761 7.208 -0.114 1.00 0.00 C ATOM 404 CG ARG A 37 5.094 7.657 0.488 1.00 0.00 C ATOM 405 CD ARG A 37 4.868 8.891 1.361 1.00 0.00 C ATOM 406 NE ARG A 37 4.264 9.977 0.538 1.00 0.00 N ATOM 407 CZ ARG A 37 5.033 10.799 -0.120 1.00 0.00 C ATOM 408 NH1 ARG A 37 5.477 10.473 -1.304 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.358 11.950 0.404 1.00 0.00 N ATOM 0 H ARG A 37 3.309 8.224 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 37 5.008 6.022 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.114 8.070 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.240 6.547 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.527 6.852 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.805 7.885 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.211 8.644 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.813 9.226 1.788 1.00 0.00 H new ATOM 0 HE ARG A 37 3.250 10.077 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.222 9.575 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.079 11.117 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.010 12.206 1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.960 12.593 -0.111 1.00 0.00 H new ATOM 423 N TRP A 38 3.360 4.218 -1.974 1.00 0.00 N ATOM 424 CA TRP A 38 2.358 3.138 -2.201 1.00 0.00 C ATOM 425 C TRP A 38 2.149 2.357 -0.914 1.00 0.00 C ATOM 426 O TRP A 38 2.777 2.604 0.096 1.00 0.00 O ATOM 427 CB TRP A 38 2.858 2.153 -3.259 1.00 0.00 C ATOM 428 CG TRP A 38 3.146 2.851 -4.541 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.048 3.838 -4.710 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.558 2.605 -5.844 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.049 4.218 -6.037 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.149 3.484 -6.778 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.577 1.711 -6.298 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.782 3.474 -8.121 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.203 1.700 -7.647 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.806 2.578 -8.557 1.00 0.00 C ATOM 0 H TRP A 38 4.335 3.940 -2.089 1.00 0.00 H new ATOM 0 HA TRP A 38 1.430 3.605 -2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.759 1.655 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.109 1.378 -3.423 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.668 4.262 -3.934 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.643 4.952 -6.422 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.108 1.029 -5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.249 4.154 -8.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.445 1.010 -7.988 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.515 2.561 -9.597 1.00 0.00 H new ATOM 447 N ASP A 39 1.297 1.387 -0.968 1.00 0.00 N ATOM 448 CA ASP A 39 1.057 0.522 0.211 1.00 0.00 C ATOM 449 C ASP A 39 0.649 -0.839 -0.333 1.00 0.00 C ATOM 450 O ASP A 39 -0.429 -1.000 -0.872 1.00 0.00 O ATOM 451 CB ASP A 39 -0.051 1.103 1.089 1.00 0.00 C ATOM 452 CG ASP A 39 0.539 1.509 2.441 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.753 0.628 3.260 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.768 2.694 2.635 1.00 0.00 O ATOM 0 H ASP A 39 0.745 1.150 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 39 1.949 0.448 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.502 1.967 0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.843 0.367 1.230 1.00 0.00 H new ATOM 459 N PHE A 40 1.512 -1.811 -0.258 1.00 0.00 N ATOM 460 CA PHE A 40 1.149 -3.132 -0.852 1.00 0.00 C ATOM 461 C PHE A 40 0.268 -3.945 0.095 1.00 0.00 C ATOM 462 O PHE A 40 -0.873 -4.229 -0.202 1.00 0.00 O ATOM 463 CB PHE A 40 2.397 -3.954 -1.193 1.00 0.00 C ATOM 464 CG PHE A 40 3.408 -3.144 -1.973 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.046 -1.934 -2.582 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.718 -3.625 -2.104 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.991 -1.212 -3.319 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.660 -2.899 -2.837 1.00 0.00 C ATOM 469 CZ PHE A 40 5.297 -1.693 -3.444 1.00 0.00 C ATOM 0 H PHE A 40 2.433 -1.755 0.177 1.00 0.00 H new ATOM 0 HA PHE A 40 0.596 -2.921 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.855 -4.318 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.108 -4.830 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.038 -1.559 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.999 -4.558 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.711 -0.282 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.670 -3.270 -2.935 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.027 -1.133 -4.010 1.00 0.00 H new ATOM 479 N GLY A 41 0.794 -4.358 1.211 1.00 0.00 N ATOM 480 CA GLY A 41 -0.018 -5.193 2.142 1.00 0.00 C ATOM 481 C GLY A 41 0.352 -6.670 1.942 1.00 0.00 C ATOM 482 O GLY A 41 -0.103 -7.539 2.659 1.00 0.00 O ATOM 0 H GLY A 41 1.745 -4.157 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.168 -4.895 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.081 -5.042 1.953 1.00 0.00 H new ATOM 486 N ASP A 42 1.192 -6.954 0.974 1.00 0.00 N ATOM 487 CA ASP A 42 1.622 -8.361 0.713 1.00 0.00 C ATOM 488 C ASP A 42 2.880 -8.661 1.529 1.00 0.00 C ATOM 489 O ASP A 42 3.684 -9.498 1.169 1.00 0.00 O ATOM 490 CB ASP A 42 1.966 -8.500 -0.774 1.00 0.00 C ATOM 491 CG ASP A 42 2.928 -7.370 -1.194 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.707 -6.918 -0.360 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.864 -6.969 -2.343 1.00 0.00 O ATOM 0 H ASP A 42 1.601 -6.261 0.348 1.00 0.00 H new ATOM 0 HA ASP A 42 0.823 -9.050 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.426 -9.470 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.056 -8.457 -1.373 1.00 0.00 H new ATOM 498 N GLY A 43 3.081 -7.940 2.589 1.00 0.00 N ATOM 499 CA GLY A 43 4.307 -8.117 3.396 1.00 0.00 C ATOM 500 C GLY A 43 4.988 -6.757 3.434 1.00 0.00 C ATOM 501 O GLY A 43 5.512 -6.333 4.445 1.00 0.00 O ATOM 0 H GLY A 43 2.438 -7.227 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.065 -8.460 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.961 -8.868 2.952 1.00 0.00 H new ATOM 505 N SER A 44 4.941 -6.050 2.329 1.00 0.00 N ATOM 506 CA SER A 44 5.538 -4.692 2.283 1.00 0.00 C ATOM 507 C SER A 44 4.406 -3.683 2.472 1.00 0.00 C ATOM 508 O SER A 44 3.642 -3.414 1.564 1.00 0.00 O ATOM 509 CB SER A 44 6.210 -4.465 0.929 1.00 0.00 C ATOM 510 OG SER A 44 6.182 -5.673 0.182 1.00 0.00 O ATOM 0 H SER A 44 4.512 -6.363 1.458 1.00 0.00 H new ATOM 0 HA SER A 44 6.290 -4.579 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.695 -3.674 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.239 -4.136 1.072 1.00 0.00 H new ATOM 0 HG SER A 44 6.780 -6.329 0.598 1.00 0.00 H new ATOM 516 N ALA A 45 4.270 -3.144 3.650 1.00 0.00 N ATOM 517 CA ALA A 45 3.171 -2.173 3.901 1.00 0.00 C ATOM 518 C ALA A 45 3.464 -0.854 3.180 1.00 0.00 C ATOM 519 O ALA A 45 3.207 -0.716 1.993 1.00 0.00 O ATOM 520 CB ALA A 45 3.041 -1.938 5.409 1.00 0.00 C ATOM 0 H ALA A 45 4.873 -3.334 4.450 1.00 0.00 H new ATOM 0 HA ALA A 45 2.233 -2.575 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.237 -1.227 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.816 -2.881 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.978 -1.538 5.797 1.00 0.00 H new ATOM 526 N GLU A 46 3.990 0.110 3.894 1.00 0.00 N ATOM 527 CA GLU A 46 4.305 1.437 3.289 1.00 0.00 C ATOM 528 C GLU A 46 5.249 1.257 2.102 1.00 0.00 C ATOM 529 O GLU A 46 6.030 0.327 2.052 1.00 0.00 O ATOM 530 CB GLU A 46 4.973 2.323 4.342 1.00 0.00 C ATOM 531 CG GLU A 46 3.937 2.737 5.389 1.00 0.00 C ATOM 532 CD GLU A 46 3.738 4.252 5.343 1.00 0.00 C ATOM 533 OE1 GLU A 46 4.732 4.962 5.371 1.00 0.00 O ATOM 534 OE2 GLU A 46 2.597 4.679 5.281 1.00 0.00 O ATOM 0 H GLU A 46 4.217 0.030 4.885 1.00 0.00 H new ATOM 0 HA GLU A 46 3.383 1.905 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.793 1.786 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.403 3.207 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.991 2.230 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.268 2.434 6.382 1.00 0.00 H new ATOM 541 N VAL A 47 5.164 2.127 1.135 1.00 0.00 N ATOM 542 CA VAL A 47 6.031 1.996 -0.066 1.00 0.00 C ATOM 543 C VAL A 47 6.555 3.363 -0.502 1.00 0.00 C ATOM 544 O VAL A 47 5.808 4.308 -0.627 1.00 0.00 O ATOM 545 CB VAL A 47 5.198 1.417 -1.203 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.057 1.284 -2.455 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.675 0.041 -0.807 1.00 0.00 C ATOM 0 H VAL A 47 4.529 2.925 1.126 1.00 0.00 H new ATOM 0 HA VAL A 47 6.875 1.349 0.174 1.00 0.00 H new ATOM 0 HB VAL A 47 4.360 2.084 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.457 0.870 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.431 2.266 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.898 0.621 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.080 -0.370 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.515 -0.622 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.056 0.130 0.085 1.00 0.00 H new ATOM 557 N ASP A 48 7.828 3.460 -0.770 1.00 0.00 N ATOM 558 CA ASP A 48 8.406 4.751 -1.238 1.00 0.00 C ATOM 559 C ASP A 48 8.861 4.569 -2.688 1.00 0.00 C ATOM 560 O ASP A 48 9.976 4.165 -2.952 1.00 0.00 O ATOM 561 CB ASP A 48 9.603 5.127 -0.365 1.00 0.00 C ATOM 562 CG ASP A 48 9.138 5.318 1.079 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.671 6.401 1.392 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.256 4.378 1.848 1.00 0.00 O ATOM 0 H ASP A 48 8.497 2.695 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 48 7.662 5.545 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.362 4.347 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.063 6.043 -0.735 1.00 0.00 H new ATOM 569 N ALA A 49 7.992 4.828 -3.627 1.00 0.00 N ATOM 570 CA ALA A 49 8.355 4.632 -5.062 1.00 0.00 C ATOM 571 C ALA A 49 8.896 5.922 -5.683 1.00 0.00 C ATOM 572 O ALA A 49 8.555 7.017 -5.281 1.00 0.00 O ATOM 573 CB ALA A 49 7.113 4.195 -5.830 1.00 0.00 C ATOM 0 H ALA A 49 7.044 5.168 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 49 9.134 3.872 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.367 4.049 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.738 3.260 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.344 4.963 -5.746 1.00 0.00 H new ATOM 579 N ALA A 50 9.732 5.784 -6.683 1.00 0.00 N ATOM 580 CA ALA A 50 10.304 6.977 -7.367 1.00 0.00 C ATOM 581 C ALA A 50 9.358 7.413 -8.489 1.00 0.00 C ATOM 582 O ALA A 50 8.646 6.599 -9.067 1.00 0.00 O ATOM 583 CB ALA A 50 11.667 6.621 -7.964 1.00 0.00 C ATOM 0 H ALA A 50 10.043 4.887 -7.055 1.00 0.00 H new ATOM 0 HA ALA A 50 10.424 7.788 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.085 7.495 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.340 6.302 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.548 5.812 -8.685 1.00 0.00 H new ATOM 589 N GLY A 51 9.334 8.691 -8.795 1.00 0.00 N ATOM 590 CA GLY A 51 8.424 9.189 -9.867 1.00 0.00 C ATOM 591 C GLY A 51 7.048 8.569 -9.651 1.00 0.00 C ATOM 592 O GLY A 51 6.725 8.164 -8.555 1.00 0.00 O ATOM 0 H GLY A 51 9.906 9.406 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.360 10.277 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.812 8.920 -10.850 1.00 0.00 H new ATOM 596 N PRO A 52 6.284 8.494 -10.698 1.00 0.00 N ATOM 597 CA PRO A 52 4.950 7.892 -10.647 1.00 0.00 C ATOM 598 C PRO A 52 5.032 6.377 -10.912 1.00 0.00 C ATOM 599 O PRO A 52 4.228 5.845 -11.649 1.00 0.00 O ATOM 600 CB PRO A 52 4.218 8.576 -11.802 1.00 0.00 C ATOM 601 CG PRO A 52 5.310 9.063 -12.788 1.00 0.00 C ATOM 602 CD PRO A 52 6.649 9.033 -12.021 1.00 0.00 C ATOM 0 HA PRO A 52 4.462 8.018 -9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.534 7.883 -12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.620 9.413 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.353 8.419 -13.666 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.090 10.070 -13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.383 8.401 -12.522 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.087 10.028 -11.941 1.00 0.00 H new ATOM 610 N ALA A 53 5.988 5.663 -10.352 1.00 0.00 N ATOM 611 CA ALA A 53 6.038 4.197 -10.657 1.00 0.00 C ATOM 612 C ALA A 53 6.551 3.379 -9.465 1.00 0.00 C ATOM 613 O ALA A 53 7.428 3.794 -8.736 1.00 0.00 O ATOM 614 CB ALA A 53 6.957 3.962 -11.857 1.00 0.00 C ATOM 0 H ALA A 53 6.708 6.017 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 53 5.022 3.869 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.996 2.896 -12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.571 4.502 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.959 4.320 -11.623 1.00 0.00 H new ATOM 620 N ALA A 54 6.010 2.195 -9.292 1.00 0.00 N ATOM 621 CA ALA A 54 6.444 1.294 -8.180 1.00 0.00 C ATOM 622 C ALA A 54 6.269 -0.159 -8.633 1.00 0.00 C ATOM 623 O ALA A 54 6.013 -0.428 -9.788 1.00 0.00 O ATOM 624 CB ALA A 54 5.582 1.538 -6.936 1.00 0.00 C ATOM 0 H ALA A 54 5.274 1.811 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 54 7.487 1.495 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.907 0.877 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.688 2.575 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.537 1.336 -7.172 1.00 0.00 H new ATOM 630 N SER A 55 6.397 -1.095 -7.732 1.00 0.00 N ATOM 631 CA SER A 55 6.228 -2.530 -8.110 1.00 0.00 C ATOM 632 C SER A 55 5.752 -3.319 -6.888 1.00 0.00 C ATOM 633 O SER A 55 6.205 -3.096 -5.784 1.00 0.00 O ATOM 634 CB SER A 55 7.549 -3.094 -8.611 1.00 0.00 C ATOM 635 OG SER A 55 8.520 -2.058 -8.664 1.00 0.00 O ATOM 0 H SER A 55 6.612 -0.929 -6.749 1.00 0.00 H new ATOM 0 HA SER A 55 5.488 -2.612 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.889 -3.892 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.417 -3.533 -9.600 1.00 0.00 H new ATOM 0 HG SER A 55 9.371 -2.423 -8.985 1.00 0.00 H new ATOM 641 N HIS A 56 4.829 -4.225 -7.071 1.00 0.00 N ATOM 642 CA HIS A 56 4.309 -5.009 -5.907 1.00 0.00 C ATOM 643 C HIS A 56 4.903 -6.411 -5.881 1.00 0.00 C ATOM 644 O HIS A 56 4.942 -7.093 -6.877 1.00 0.00 O ATOM 645 CB HIS A 56 2.800 -5.152 -6.035 1.00 0.00 C ATOM 646 CG HIS A 56 2.121 -4.012 -5.347 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.205 -2.711 -5.810 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.319 -3.967 -4.240 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.465 -1.947 -4.990 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.902 -2.665 -4.020 1.00 0.00 N ATOM 0 H HIS A 56 4.412 -4.458 -7.972 1.00 0.00 H new ATOM 0 HA HIS A 56 4.584 -4.479 -4.995 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.516 -5.174 -7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.477 -6.097 -5.597 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.731 -2.391 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.052 -4.817 -3.630 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.342 -0.880 -5.103 1.00 0.00 H new ATOM 658 N ARG A 57 5.320 -6.862 -4.733 1.00 0.00 N ATOM 659 CA ARG A 57 5.866 -8.244 -4.634 1.00 0.00 C ATOM 660 C ARG A 57 4.778 -9.159 -4.064 1.00 0.00 C ATOM 661 O ARG A 57 4.596 -9.255 -2.869 1.00 0.00 O ATOM 662 CB ARG A 57 7.107 -8.271 -3.729 1.00 0.00 C ATOM 663 CG ARG A 57 6.845 -7.523 -2.414 1.00 0.00 C ATOM 664 CD ARG A 57 8.018 -6.584 -2.129 1.00 0.00 C ATOM 665 NE ARG A 57 8.011 -5.470 -3.118 1.00 0.00 N ATOM 666 CZ ARG A 57 9.138 -4.970 -3.543 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.761 -4.071 -2.831 1.00 0.00 N ATOM 668 NH2 ARG A 57 9.642 -5.370 -4.679 1.00 0.00 N ATOM 0 H ARG A 57 5.307 -6.335 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 57 6.164 -8.590 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.383 -9.304 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.950 -7.816 -4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.917 -6.955 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.724 -8.233 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.943 -6.187 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.959 -7.131 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 57 7.126 -5.099 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.366 -3.760 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.643 -3.679 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.154 -6.073 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.523 -4.979 -5.012 1.00 0.00 H new ATOM 682 N TYR A 58 4.042 -9.822 -4.917 1.00 0.00 N ATOM 683 CA TYR A 58 2.954 -10.717 -4.427 1.00 0.00 C ATOM 684 C TYR A 58 3.481 -12.148 -4.339 1.00 0.00 C ATOM 685 O TYR A 58 3.924 -12.715 -5.314 1.00 0.00 O ATOM 686 CB TYR A 58 1.775 -10.637 -5.402 1.00 0.00 C ATOM 687 CG TYR A 58 1.141 -9.287 -5.280 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.827 -8.791 -4.013 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.854 -8.536 -6.422 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.221 -7.545 -3.884 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.251 -7.285 -6.293 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.066 -6.792 -5.022 1.00 0.00 C ATOM 693 OH TYR A 58 -0.675 -5.572 -4.889 1.00 0.00 O ATOM 0 H TYR A 58 4.148 -9.782 -5.931 1.00 0.00 H new ATOM 0 HA TYR A 58 2.621 -10.406 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.118 -10.802 -6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.047 -11.417 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.054 -9.374 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.098 -8.922 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.026 -7.162 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.029 -6.698 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.247 -5.577 -4.093 1.00 0.00 H new ATOM 703 N VAL A 59 3.458 -12.729 -3.170 1.00 0.00 N ATOM 704 CA VAL A 59 3.987 -14.116 -3.021 1.00 0.00 C ATOM 705 C VAL A 59 2.886 -15.083 -2.560 1.00 0.00 C ATOM 706 O VAL A 59 2.923 -16.256 -2.871 1.00 0.00 O ATOM 707 CB VAL A 59 5.129 -14.109 -2.000 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.657 -13.465 -0.692 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.576 -15.546 -1.725 1.00 0.00 C ATOM 0 H VAL A 59 3.098 -12.306 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 59 4.351 -14.457 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 59 5.964 -13.535 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.475 -13.464 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.341 -12.440 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.819 -14.033 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.389 -15.542 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.738 -16.118 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.921 -16.004 -2.652 1.00 0.00 H new ATOM 719 N LEU A 60 1.913 -14.621 -1.821 1.00 0.00 N ATOM 720 CA LEU A 60 0.842 -15.551 -1.361 1.00 0.00 C ATOM 721 C LEU A 60 -0.294 -15.562 -2.384 1.00 0.00 C ATOM 722 O LEU A 60 -0.613 -14.546 -2.967 1.00 0.00 O ATOM 723 CB LEU A 60 0.309 -15.082 -0.003 1.00 0.00 C ATOM 724 CG LEU A 60 0.214 -16.272 0.950 1.00 0.00 C ATOM 725 CD1 LEU A 60 0.952 -15.944 2.250 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.258 -16.557 1.257 1.00 0.00 C ATOM 0 H LEU A 60 1.814 -13.652 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 60 1.249 -16.557 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.968 -14.321 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.672 -14.622 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 60 0.667 -17.149 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.885 -16.793 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.999 -15.736 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.498 -15.069 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.330 -17.406 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.709 -15.680 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.785 -16.788 0.331 1.00 0.00 H new ATOM 738 N PRO A 61 -0.874 -16.719 -2.572 1.00 0.00 N ATOM 739 CA PRO A 61 -1.984 -16.904 -3.520 1.00 0.00 C ATOM 740 C PRO A 61 -3.282 -16.347 -2.932 1.00 0.00 C ATOM 741 O PRO A 61 -3.618 -16.596 -1.791 1.00 0.00 O ATOM 742 CB PRO A 61 -2.059 -18.422 -3.697 1.00 0.00 C ATOM 743 CG PRO A 61 -1.388 -19.040 -2.448 1.00 0.00 C ATOM 744 CD PRO A 61 -0.481 -17.947 -1.852 1.00 0.00 C ATOM 0 HA PRO A 61 -1.836 -16.383 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.094 -18.752 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.546 -18.733 -4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.137 -19.360 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.807 -19.922 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.633 -17.845 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.573 -18.178 -2.004 1.00 0.00 H new ATOM 752 N GLY A 62 -4.007 -15.587 -3.704 1.00 0.00 N ATOM 753 CA GLY A 62 -5.279 -15.001 -3.200 1.00 0.00 C ATOM 754 C GLY A 62 -5.456 -13.608 -3.802 1.00 0.00 C ATOM 755 O GLY A 62 -5.247 -13.402 -4.979 1.00 0.00 O ATOM 0 H GLY A 62 -3.772 -15.346 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.121 -15.638 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.261 -14.942 -2.112 1.00 0.00 H new ATOM 759 N ARG A 63 -5.832 -12.647 -3.005 1.00 0.00 N ATOM 760 CA ARG A 63 -6.014 -11.268 -3.540 1.00 0.00 C ATOM 761 C ARG A 63 -5.208 -10.278 -2.696 1.00 0.00 C ATOM 762 O ARG A 63 -4.776 -10.585 -1.602 1.00 0.00 O ATOM 763 CB ARG A 63 -7.498 -10.894 -3.499 1.00 0.00 C ATOM 764 CG ARG A 63 -7.959 -10.758 -2.046 1.00 0.00 C ATOM 765 CD ARG A 63 -8.021 -9.278 -1.665 1.00 0.00 C ATOM 766 NE ARG A 63 -8.737 -9.127 -0.369 1.00 0.00 N ATOM 767 CZ ARG A 63 -9.711 -8.266 -0.257 1.00 0.00 C ATOM 768 NH1 ARG A 63 -9.542 -7.034 -0.652 1.00 0.00 N ATOM 769 NH2 ARG A 63 -10.854 -8.638 0.253 1.00 0.00 N ATOM 0 H ARG A 63 -6.021 -12.756 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.661 -11.230 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.661 -9.957 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.089 -11.656 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.939 -11.218 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.272 -11.286 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.013 -8.870 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.533 -8.713 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.466 -9.697 0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.648 -6.744 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.304 -6.361 -0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.985 -9.601 0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.616 -7.966 0.341 1.00 0.00 H new ATOM 783 N TYR A 64 -5.005 -9.092 -3.200 1.00 0.00 N ATOM 784 CA TYR A 64 -4.229 -8.071 -2.440 1.00 0.00 C ATOM 785 C TYR A 64 -4.846 -6.692 -2.676 1.00 0.00 C ATOM 786 O TYR A 64 -5.435 -6.436 -3.708 1.00 0.00 O ATOM 787 CB TYR A 64 -2.786 -8.036 -2.944 1.00 0.00 C ATOM 788 CG TYR A 64 -2.008 -9.226 -2.435 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.480 -9.220 -1.138 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.787 -10.324 -3.275 1.00 0.00 C ATOM 791 CE1 TYR A 64 -0.736 -10.315 -0.680 1.00 0.00 C ATOM 792 CE2 TYR A 64 -1.037 -11.415 -2.820 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.512 -11.411 -1.523 1.00 0.00 C ATOM 794 OH TYR A 64 0.236 -12.482 -1.076 1.00 0.00 O ATOM 0 H TYR A 64 -5.345 -8.784 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.250 -8.327 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.777 -8.030 -4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.304 -7.115 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.646 -8.371 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.195 -10.329 -4.275 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.335 -10.314 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.864 -12.260 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 64 0.726 -12.224 -0.268 1.00 0.00 H new ATOM 804 N HIS A 65 -4.693 -5.795 -1.740 1.00 0.00 N ATOM 805 CA HIS A 65 -5.246 -4.422 -1.923 1.00 0.00 C ATOM 806 C HIS A 65 -4.083 -3.435 -2.033 1.00 0.00 C ATOM 807 O HIS A 65 -3.174 -3.447 -1.231 1.00 0.00 O ATOM 808 CB HIS A 65 -6.122 -4.047 -0.731 1.00 0.00 C ATOM 809 CG HIS A 65 -6.684 -2.669 -0.949 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.667 -2.416 -1.892 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.404 -1.458 -0.364 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.942 -1.099 -1.849 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.199 -0.468 -0.934 1.00 0.00 N ATOM 0 H HIS A 65 -4.209 -5.953 -0.856 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.852 -4.390 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.930 -4.769 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.538 -4.074 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.678 -1.298 0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.673 -0.612 -2.477 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.212 0.525 -0.703 1.00 0.00 H new ATOM 821 N VAL A 66 -4.095 -2.593 -3.026 1.00 0.00 N ATOM 822 CA VAL A 66 -2.976 -1.625 -3.195 1.00 0.00 C ATOM 823 C VAL A 66 -3.472 -0.189 -3.038 1.00 0.00 C ATOM 824 O VAL A 66 -4.601 0.126 -3.346 1.00 0.00 O ATOM 825 CB VAL A 66 -2.387 -1.792 -4.591 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.229 -0.810 -4.781 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.881 -3.219 -4.750 1.00 0.00 C ATOM 0 H VAL A 66 -4.832 -2.532 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.223 -1.822 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.153 -1.589 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.809 -0.931 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.594 0.210 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.458 -1.009 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.458 -3.346 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.114 -3.418 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.709 -3.916 -4.615 1.00 0.00 H new ATOM 837 N THR A 67 -2.615 0.684 -2.578 1.00 0.00 N ATOM 838 CA THR A 67 -2.990 2.117 -2.411 1.00 0.00 C ATOM 839 C THR A 67 -1.746 2.968 -2.683 1.00 0.00 C ATOM 840 O THR A 67 -0.633 2.495 -2.548 1.00 0.00 O ATOM 841 CB THR A 67 -3.482 2.374 -0.982 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.404 2.857 -0.194 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.021 1.079 -0.372 1.00 0.00 C ATOM 0 H THR A 67 -1.657 0.460 -2.307 1.00 0.00 H new ATOM 0 HA THR A 67 -3.791 2.374 -3.104 1.00 0.00 H new ATOM 0 HB THR A 67 -4.281 3.115 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.716 3.024 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.368 1.272 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.851 0.710 -0.975 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.229 0.331 -0.349 1.00 0.00 H new ATOM 851 N ALA A 68 -1.906 4.208 -3.072 1.00 0.00 N ATOM 852 CA ALA A 68 -0.693 5.040 -3.349 1.00 0.00 C ATOM 853 C ALA A 68 -0.956 6.523 -3.079 1.00 0.00 C ATOM 854 O ALA A 68 -2.075 6.990 -3.088 1.00 0.00 O ATOM 855 CB ALA A 68 -0.275 4.876 -4.816 1.00 0.00 C ATOM 0 H ALA A 68 -2.803 4.674 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 68 0.100 4.698 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.608 5.484 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.047 3.829 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.089 5.199 -5.465 1.00 0.00 H new ATOM 861 N VAL A 69 0.095 7.265 -2.865 1.00 0.00 N ATOM 862 CA VAL A 69 -0.025 8.728 -2.625 1.00 0.00 C ATOM 863 C VAL A 69 0.957 9.419 -3.564 1.00 0.00 C ATOM 864 O VAL A 69 2.116 9.079 -3.606 1.00 0.00 O ATOM 865 CB VAL A 69 0.336 9.064 -1.175 1.00 0.00 C ATOM 866 CG1 VAL A 69 -0.520 10.237 -0.696 1.00 0.00 C ATOM 867 CG2 VAL A 69 0.084 7.850 -0.281 1.00 0.00 C ATOM 0 H VAL A 69 1.051 6.910 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.048 9.059 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 69 1.391 9.335 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.264 10.477 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.333 11.106 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.574 9.966 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.343 8.096 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.968 7.572 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.698 7.015 -0.620 1.00 0.00 H new ATOM 877 N LEU A 70 0.517 10.363 -4.335 1.00 0.00 N ATOM 878 CA LEU A 70 1.462 11.027 -5.278 1.00 0.00 C ATOM 879 C LEU A 70 2.115 12.207 -4.576 1.00 0.00 C ATOM 880 O LEU A 70 1.478 12.920 -3.837 1.00 0.00 O ATOM 881 CB LEU A 70 0.716 11.577 -6.500 1.00 0.00 C ATOM 882 CG LEU A 70 0.124 10.463 -7.379 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.180 9.977 -8.354 1.00 0.00 C ATOM 884 CD2 LEU A 70 -0.366 9.292 -6.530 1.00 0.00 C ATOM 0 H LEU A 70 -0.444 10.705 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 70 2.200 10.290 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.085 12.236 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.399 12.182 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.729 10.870 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.763 9.187 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.502 10.806 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.035 9.589 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.779 8.520 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.468 8.880 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.137 9.639 -5.842 1.00 0.00 H new ATOM 896 N ALA A 71 3.373 12.447 -4.813 1.00 0.00 N ATOM 897 CA ALA A 71 4.008 13.618 -4.159 1.00 0.00 C ATOM 898 C ALA A 71 4.749 14.443 -5.195 1.00 0.00 C ATOM 899 O ALA A 71 5.769 14.051 -5.724 1.00 0.00 O ATOM 900 CB ALA A 71 4.984 13.190 -3.081 1.00 0.00 C ATOM 0 H ALA A 71 3.978 11.894 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 71 3.218 14.210 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.430 14.073 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.457 12.614 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.768 12.575 -3.523 1.00 0.00 H new ATOM 906 N LEU A 72 4.236 15.594 -5.463 1.00 0.00 N ATOM 907 CA LEU A 72 4.876 16.507 -6.444 1.00 0.00 C ATOM 908 C LEU A 72 5.559 17.641 -5.684 1.00 0.00 C ATOM 909 O LEU A 72 6.295 18.430 -6.242 1.00 0.00 O ATOM 910 CB LEU A 72 3.797 17.113 -7.331 1.00 0.00 C ATOM 911 CG LEU A 72 3.214 16.048 -8.260 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.081 15.305 -7.546 1.00 0.00 C ATOM 913 CD2 LEU A 72 2.663 16.734 -9.512 1.00 0.00 C ATOM 0 H LEU A 72 3.382 15.955 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 72 5.599 15.957 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.006 17.539 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.216 17.929 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 72 3.991 15.335 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.668 14.547 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.469 14.827 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.298 16.012 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.244 15.984 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.884 17.441 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.468 17.266 -10.019 1.00 0.00 H new ATOM 925 N GLY A 73 5.285 17.741 -4.416 1.00 0.00 N ATOM 926 CA GLY A 73 5.869 18.838 -3.601 1.00 0.00 C ATOM 927 C GLY A 73 4.741 19.803 -3.247 1.00 0.00 C ATOM 928 O GLY A 73 4.547 20.164 -2.104 1.00 0.00 O ATOM 0 H GLY A 73 4.675 17.103 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.329 18.440 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.652 19.353 -4.157 1.00 0.00 H new ATOM 932 N ALA A 74 3.980 20.205 -4.230 1.00 0.00 N ATOM 933 CA ALA A 74 2.840 21.129 -3.976 1.00 0.00 C ATOM 934 C ALA A 74 1.518 20.442 -4.348 1.00 0.00 C ATOM 935 O ALA A 74 0.451 20.979 -4.127 1.00 0.00 O ATOM 936 CB ALA A 74 3.010 22.387 -4.827 1.00 0.00 C ATOM 0 H ALA A 74 4.102 19.930 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 74 2.823 21.396 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.177 23.066 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.945 22.881 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.029 22.113 -5.882 1.00 0.00 H new ATOM 942 N GLY A 75 1.578 19.264 -4.914 1.00 0.00 N ATOM 943 CA GLY A 75 0.324 18.553 -5.300 1.00 0.00 C ATOM 944 C GLY A 75 0.461 17.059 -4.986 1.00 0.00 C ATOM 945 O GLY A 75 1.548 16.555 -4.788 1.00 0.00 O ATOM 0 H GLY A 75 2.442 18.764 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.525 18.972 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.126 18.695 -6.362 1.00 0.00 H new ATOM 949 N SER A 76 -0.637 16.351 -4.928 1.00 0.00 N ATOM 950 CA SER A 76 -0.576 14.893 -4.618 1.00 0.00 C ATOM 951 C SER A 76 -1.762 14.179 -5.273 1.00 0.00 C ATOM 952 O SER A 76 -2.579 14.786 -5.937 1.00 0.00 O ATOM 953 CB SER A 76 -0.649 14.706 -3.103 1.00 0.00 C ATOM 954 OG SER A 76 -2.010 14.619 -2.705 1.00 0.00 O ATOM 0 H SER A 76 -1.575 16.721 -5.082 1.00 0.00 H new ATOM 0 HA SER A 76 0.354 14.474 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.114 13.802 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.163 15.541 -2.598 1.00 0.00 H new ATOM 0 HG SER A 76 -2.060 14.497 -1.734 1.00 0.00 H new ATOM 960 N ALA A 77 -1.861 12.893 -5.082 1.00 0.00 N ATOM 961 CA ALA A 77 -2.990 12.125 -5.677 1.00 0.00 C ATOM 962 C ALA A 77 -3.240 10.879 -4.827 1.00 0.00 C ATOM 963 O ALA A 77 -2.433 10.518 -3.994 1.00 0.00 O ATOM 964 CB ALA A 77 -2.634 11.712 -7.106 1.00 0.00 C ATOM 0 H ALA A 77 -1.203 12.337 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.888 12.743 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.462 11.150 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.446 12.602 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.740 11.089 -7.093 1.00 0.00 H new ATOM 970 N LEU A 78 -4.351 10.220 -5.019 1.00 0.00 N ATOM 971 CA LEU A 78 -4.643 9.006 -4.203 1.00 0.00 C ATOM 972 C LEU A 78 -4.801 7.786 -5.109 1.00 0.00 C ATOM 973 O LEU A 78 -5.488 7.824 -6.109 1.00 0.00 O ATOM 974 CB LEU A 78 -5.935 9.223 -3.412 1.00 0.00 C ATOM 975 CG LEU A 78 -5.840 10.530 -2.620 1.00 0.00 C ATOM 976 CD1 LEU A 78 -7.211 11.206 -2.583 1.00 0.00 C ATOM 977 CD2 LEU A 78 -5.387 10.227 -1.191 1.00 0.00 C ATOM 0 H LEU A 78 -5.066 10.468 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.814 8.833 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.787 9.259 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.103 8.386 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.120 11.193 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.143 12.136 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.538 11.421 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.931 10.543 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.319 11.157 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.109 9.564 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.410 9.744 -1.214 1.00 0.00 H new ATOM 989 N LEU A 79 -4.160 6.703 -4.762 1.00 0.00 N ATOM 990 CA LEU A 79 -4.260 5.475 -5.592 1.00 0.00 C ATOM 991 C LEU A 79 -4.900 4.357 -4.782 1.00 0.00 C ATOM 992 O LEU A 79 -4.869 4.358 -3.567 1.00 0.00 O ATOM 993 CB LEU A 79 -2.855 5.041 -6.005 1.00 0.00 C ATOM 994 CG LEU A 79 -2.767 4.813 -7.512 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.783 3.309 -7.799 1.00 0.00 C ATOM 996 CD2 LEU A 79 -3.945 5.488 -8.214 1.00 0.00 C ATOM 0 H LEU A 79 -3.569 6.619 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.868 5.681 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.134 5.803 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.586 4.125 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.840 5.245 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.720 3.143 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.932 2.836 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.708 2.876 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.873 5.320 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.879 5.067 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.924 6.559 -8.012 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.469 3.399 -5.457 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.117 2.267 -4.747 1.00 0.00 C ATOM 1010 C GLY A 80 -6.476 1.164 -5.748 1.00 0.00 C ATOM 1011 O GLY A 80 -7.517 1.200 -6.372 1.00 0.00 O ATOM 0 H GLY A 80 -5.512 3.353 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.447 1.873 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.015 2.613 -4.235 1.00 0.00 H new ATOM 1015 N THR A 81 -5.626 0.182 -5.903 1.00 0.00 N ATOM 1016 CA THR A 81 -5.928 -0.921 -6.866 1.00 0.00 C ATOM 1017 C THR A 81 -6.069 -2.248 -6.113 1.00 0.00 C ATOM 1018 O THR A 81 -6.053 -2.292 -4.901 1.00 0.00 O ATOM 1019 CB THR A 81 -4.790 -1.050 -7.890 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.894 -2.072 -7.476 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.027 0.270 -8.008 1.00 0.00 C ATOM 0 H THR A 81 -4.739 0.095 -5.407 1.00 0.00 H new ATOM 0 HA THR A 81 -6.861 -0.688 -7.380 1.00 0.00 H new ATOM 0 HB THR A 81 -5.218 -1.301 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.733 -2.687 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.224 0.162 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.709 1.056 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.604 0.534 -7.039 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.201 -3.329 -6.833 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.332 -4.667 -6.191 1.00 0.00 C ATOM 1031 C ASP A 82 -5.750 -5.717 -7.144 1.00 0.00 C ATOM 1032 O ASP A 82 -5.717 -5.517 -8.341 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.810 -4.962 -5.931 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.445 -5.582 -7.177 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.775 -4.835 -8.084 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.592 -6.793 -7.203 1.00 0.00 O ATOM 0 H ASP A 82 -6.224 -3.341 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.796 -4.689 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.911 -5.641 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.332 -4.043 -5.665 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.279 -6.829 -6.640 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.701 -7.853 -7.552 1.00 0.00 C ATOM 1043 C VAL A 83 -5.158 -9.249 -7.122 1.00 0.00 C ATOM 1044 O VAL A 83 -5.456 -9.486 -5.970 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.164 -7.792 -7.522 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.664 -6.848 -6.423 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.615 -9.185 -7.233 1.00 0.00 C ATOM 0 H VAL A 83 -5.270 -7.068 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.047 -7.649 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.823 -7.424 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.574 -6.828 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.047 -5.844 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.015 -7.200 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.526 -9.149 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.987 -9.530 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.939 -9.873 -8.014 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.196 -10.178 -8.042 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.611 -11.564 -7.691 1.00 0.00 C ATOM 1059 C GLN A 84 -4.494 -12.533 -8.085 1.00 0.00 C ATOM 1060 O GLN A 84 -4.354 -12.900 -9.234 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.889 -11.929 -8.446 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.552 -13.123 -7.758 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.072 -13.014 -7.884 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.579 -12.087 -8.482 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.825 -13.930 -7.339 1.00 0.00 N ATOM 0 H GLN A 84 -4.956 -10.034 -9.023 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.798 -11.628 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.571 -11.079 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.657 -12.173 -9.483 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.206 -14.053 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.266 -13.154 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.398 -14.709 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.840 -13.867 -7.415 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.694 -12.944 -7.142 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.584 -13.881 -7.463 1.00 0.00 C ATOM 1076 C VAL A 85 -3.092 -15.323 -7.417 1.00 0.00 C ATOM 1077 O VAL A 85 -3.845 -15.701 -6.542 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.457 -13.687 -6.450 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.459 -14.840 -6.554 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.748 -12.367 -6.749 1.00 0.00 C ATOM 0 H VAL A 85 -3.761 -12.671 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.208 -13.676 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.870 -13.668 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.342 -14.695 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.968 -15.782 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.038 -14.867 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.059 -12.217 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.337 -12.395 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.460 -11.546 -6.671 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.691 -16.128 -8.363 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.154 -17.544 -8.390 1.00 0.00 C ATOM 1092 C GLU A 86 -1.970 -18.473 -8.127 1.00 0.00 C ATOM 1093 O GLU A 86 -0.838 -18.133 -8.389 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.741 -17.861 -9.767 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.552 -16.664 -10.278 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.960 -16.709 -9.684 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.096 -16.405 -8.510 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.879 -17.046 -10.416 1.00 0.00 O ATOM 0 H GLU A 86 -2.061 -15.865 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.914 -17.690 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.940 -18.094 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.378 -18.743 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.059 -15.732 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.604 -16.685 -11.367 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.220 -19.648 -7.616 1.00 0.00 N ATOM 1106 CA ALA A 87 -1.101 -20.595 -7.346 1.00 0.00 C ATOM 1107 C ALA A 87 -1.006 -21.617 -8.481 1.00 0.00 C ATOM 1108 O ALA A 87 0.023 -21.756 -9.113 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.357 -21.323 -6.025 1.00 0.00 C ATOM 0 H ALA A 87 -3.149 -19.993 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.165 -20.039 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.539 -22.016 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.421 -20.596 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.294 -21.877 -6.090 1.00 0.00 H new