USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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 57 GLN : amide:sc= -0.196 K(o=-2.1,f=-3!) USER MOD Set 1.2: A 62 CYS SG : rot 110:sc= -1.88 USER MOD Set 2.1: A 30 CYS SG : rot -149:sc= -1.27 USER MOD Set 2.2: A 79 CYS SG : rot 97:sc= 1.36 USER MOD Set 3.1: A 25 THR OG1 : rot -86:sc= 0.685 USER MOD Set 3.2: A 67 CYS SG : rot 180:sc= 0.536 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0149 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 1.03 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.394 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-6.1!) USER MOD Single : A 17 HIS : no HD1:sc= 0.126 K(o=0.13,f=-2!) USER MOD Single : A 18 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.94) USER MOD Single : A 20 SER OG : rot -172:sc= -1.71 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0181) USER MOD Single : A 46 SER OG : rot 117:sc= -3.13! USER MOD Single : A 53 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.42) USER MOD Single : A 54 SER OG : rot 70:sc= 1.32 USER MOD Single : A 65 GLN : amide:sc=-0.000642 K(o=-0.00064,f=-1) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -133:sc= 0.675 USER MOD Single : A 86 THR OG1 : rot -100:sc= -0.22 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 0.215 (180deg=-0.0475) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.399 36.803 2.896 1.00 0.00 N ATOM 2 CA GLY A 1 9.928 35.500 2.537 1.00 0.00 C ATOM 3 C GLY A 1 10.005 35.300 1.036 1.00 0.00 C ATOM 4 O GLY A 1 10.300 36.235 0.293 1.00 0.00 O ATOM 0 H1 GLY A 1 9.991 37.225 3.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.401 37.421 2.060 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.425 36.698 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.923 35.384 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.299 34.723 2.972 1.00 0.00 H new ATOM 8 N SER A 2 9.742 34.076 0.590 1.00 0.00 N ATOM 9 CA SER A 2 9.789 33.754 -0.832 1.00 0.00 C ATOM 10 C SER A 2 8.497 33.076 -1.278 1.00 0.00 C ATOM 11 O SER A 2 8.269 31.901 -0.993 1.00 0.00 O ATOM 12 CB SER A 2 10.984 32.847 -1.132 1.00 0.00 C ATOM 13 OG SER A 2 10.847 31.593 -0.487 1.00 0.00 O ATOM 0 H SER A 2 9.494 33.291 1.192 1.00 0.00 H new ATOM 0 HA SER A 2 9.901 34.685 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.070 32.698 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.903 33.331 -0.802 1.00 0.00 H new ATOM 0 HG SER A 2 9.904 31.326 -0.488 1.00 0.00 H new ATOM 19 N SER A 3 7.654 33.827 -1.980 1.00 0.00 N ATOM 20 CA SER A 3 6.383 33.301 -2.464 1.00 0.00 C ATOM 21 C SER A 3 6.572 31.935 -3.115 1.00 0.00 C ATOM 22 O SER A 3 7.525 31.717 -3.862 1.00 0.00 O ATOM 23 CB SER A 3 5.753 34.272 -3.464 1.00 0.00 C ATOM 24 OG SER A 3 5.058 35.312 -2.797 1.00 0.00 O ATOM 0 H SER A 3 7.828 34.801 -2.226 1.00 0.00 H new ATOM 0 HA SER A 3 5.717 33.187 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.529 34.698 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.067 33.732 -4.117 1.00 0.00 H new ATOM 0 HG SER A 3 4.666 35.920 -3.458 1.00 0.00 H new ATOM 30 N GLY A 4 5.657 31.016 -2.824 1.00 0.00 N ATOM 31 CA GLY A 4 5.740 29.681 -3.388 1.00 0.00 C ATOM 32 C GLY A 4 5.005 28.651 -2.553 1.00 0.00 C ATOM 33 O GLY A 4 5.626 27.864 -1.839 1.00 0.00 O ATOM 0 H GLY A 4 4.859 31.172 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.325 29.690 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.787 29.392 -3.476 1.00 0.00 H new ATOM 37 N SER A 5 3.679 28.658 -2.640 1.00 0.00 N ATOM 38 CA SER A 5 2.858 27.721 -1.882 1.00 0.00 C ATOM 39 C SER A 5 3.382 26.296 -2.031 1.00 0.00 C ATOM 40 O SER A 5 3.038 25.592 -2.980 1.00 0.00 O ATOM 41 CB SER A 5 1.403 27.792 -2.347 1.00 0.00 C ATOM 42 OG SER A 5 1.310 27.652 -3.754 1.00 0.00 O ATOM 0 H SER A 5 3.150 29.302 -3.228 1.00 0.00 H new ATOM 0 HA SER A 5 2.909 28.001 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.824 27.007 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.967 28.744 -2.043 1.00 0.00 H new ATOM 0 HG SER A 5 1.900 26.928 -4.050 1.00 0.00 H new ATOM 48 N SER A 6 4.218 25.877 -1.086 1.00 0.00 N ATOM 49 CA SER A 6 4.794 24.538 -1.112 1.00 0.00 C ATOM 50 C SER A 6 3.731 23.496 -1.448 1.00 0.00 C ATOM 51 O SER A 6 3.902 22.690 -2.361 1.00 0.00 O ATOM 52 CB SER A 6 5.438 24.209 0.236 1.00 0.00 C ATOM 53 OG SER A 6 6.785 24.647 0.278 1.00 0.00 O ATOM 0 H SER A 6 4.512 26.446 -0.292 1.00 0.00 H new ATOM 0 HA SER A 6 5.560 24.515 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.873 24.684 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.396 23.134 0.410 1.00 0.00 H new ATOM 0 HG SER A 6 7.174 24.427 1.150 1.00 0.00 H new ATOM 59 N GLY A 7 2.631 23.520 -0.702 1.00 0.00 N ATOM 60 CA GLY A 7 1.555 22.574 -0.935 1.00 0.00 C ATOM 61 C GLY A 7 1.438 21.546 0.173 1.00 0.00 C ATOM 62 O GLY A 7 1.923 21.744 1.287 1.00 0.00 O ATOM 0 H GLY A 7 2.466 24.178 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.613 23.115 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.723 22.064 -1.884 1.00 0.00 H new ATOM 66 N PRO A 8 0.780 20.417 -0.130 1.00 0.00 N ATOM 67 CA PRO A 8 0.584 19.332 0.836 1.00 0.00 C ATOM 68 C PRO A 8 1.883 18.603 1.160 1.00 0.00 C ATOM 69 O PRO A 8 2.937 18.917 0.607 1.00 0.00 O ATOM 70 CB PRO A 8 -0.392 18.393 0.121 1.00 0.00 C ATOM 71 CG PRO A 8 -0.177 18.656 -1.329 1.00 0.00 C ATOM 72 CD PRO A 8 0.176 20.114 -1.438 1.00 0.00 C ATOM 0 HA PRO A 8 0.218 19.701 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.191 17.351 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.422 18.597 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.623 18.030 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.074 18.428 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.873 20.299 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.705 20.728 -1.626 1.00 0.00 H new ATOM 80 N ALA A 9 1.801 17.627 2.058 1.00 0.00 N ATOM 81 CA ALA A 9 2.970 16.852 2.454 1.00 0.00 C ATOM 82 C ALA A 9 3.507 16.033 1.284 1.00 0.00 C ATOM 83 O ALA A 9 2.817 15.160 0.756 1.00 0.00 O ATOM 84 CB ALA A 9 2.629 15.942 3.625 1.00 0.00 C ATOM 0 H ALA A 9 0.936 17.354 2.525 1.00 0.00 H new ATOM 0 HA ALA A 9 3.749 17.548 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.512 15.369 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.299 16.545 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.831 15.258 3.334 1.00 0.00 H new ATOM 90 N HIS A 10 4.741 16.321 0.884 1.00 0.00 N ATOM 91 CA HIS A 10 5.370 15.611 -0.224 1.00 0.00 C ATOM 92 C HIS A 10 5.856 14.234 0.219 1.00 0.00 C ATOM 93 O HIS A 10 6.049 13.986 1.409 1.00 0.00 O ATOM 94 CB HIS A 10 6.541 16.423 -0.779 1.00 0.00 C ATOM 95 CG HIS A 10 7.683 15.579 -1.255 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.677 14.917 -2.465 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.873 15.292 -0.677 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.813 14.259 -2.610 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.556 14.470 -1.539 1.00 0.00 N ATOM 0 H HIS A 10 5.325 17.041 1.310 1.00 0.00 H new ATOM 0 HA HIS A 10 4.625 15.479 -1.008 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.186 17.039 -1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.900 17.103 -0.006 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.220 15.644 0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.087 13.652 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.487 14.085 -1.378 1.00 0.00 H new ATOM 108 N PHE A 11 6.050 13.341 -0.747 1.00 0.00 N ATOM 109 CA PHE A 11 6.511 11.989 -0.456 1.00 0.00 C ATOM 110 C PHE A 11 8.032 11.944 -0.348 1.00 0.00 C ATOM 111 O PHE A 11 8.739 12.058 -1.349 1.00 0.00 O ATOM 112 CB PHE A 11 6.037 11.021 -1.542 1.00 0.00 C ATOM 113 CG PHE A 11 4.626 10.544 -1.346 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.317 9.651 -0.334 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.609 10.990 -2.175 1.00 0.00 C ATOM 116 CE1 PHE A 11 3.019 9.210 -0.150 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.309 10.553 -1.997 1.00 0.00 C ATOM 118 CZ PHE A 11 2.015 9.662 -0.984 1.00 0.00 C ATOM 0 H PHE A 11 5.895 13.530 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 11 6.087 11.686 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.115 11.510 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.704 10.159 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.099 9.294 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.834 11.687 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.791 8.514 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.525 10.908 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.001 9.319 -0.844 1.00 0.00 H new ATOM 128 N ILE A 12 8.528 11.778 0.874 1.00 0.00 N ATOM 129 CA ILE A 12 9.964 11.718 1.113 1.00 0.00 C ATOM 130 C ILE A 12 10.465 10.278 1.092 1.00 0.00 C ATOM 131 O ILE A 12 11.603 10.010 0.707 1.00 0.00 O ATOM 132 CB ILE A 12 10.338 12.360 2.462 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.525 11.729 3.594 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.111 13.863 2.414 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.138 11.928 4.963 1.00 0.00 C ATOM 0 H ILE A 12 7.956 11.683 1.713 1.00 0.00 H new ATOM 0 HA ILE A 12 10.441 12.278 0.309 1.00 0.00 H new ATOM 0 HB ILE A 12 11.395 12.178 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.521 12.153 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.421 10.661 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.380 14.302 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.729 14.299 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.061 14.066 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.508 11.455 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.131 11.479 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.217 12.994 5.175 1.00 0.00 H new ATOM 147 N GLY A 13 9.606 9.352 1.508 1.00 0.00 N ATOM 148 CA GLY A 13 9.979 7.949 1.527 1.00 0.00 C ATOM 149 C GLY A 13 9.124 7.109 0.599 1.00 0.00 C ATOM 150 O GLY A 13 8.292 6.323 1.053 1.00 0.00 O ATOM 0 H GLY A 13 8.659 9.548 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.026 7.851 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.890 7.566 2.544 1.00 0.00 H new ATOM 154 N ARG A 14 9.327 7.276 -0.703 1.00 0.00 N ATOM 155 CA ARG A 14 8.567 6.529 -1.697 1.00 0.00 C ATOM 156 C ARG A 14 8.410 5.070 -1.278 1.00 0.00 C ATOM 157 O ARG A 14 9.313 4.486 -0.677 1.00 0.00 O ATOM 158 CB ARG A 14 9.254 6.608 -3.062 1.00 0.00 C ATOM 159 CG ARG A 14 9.477 8.030 -3.549 1.00 0.00 C ATOM 160 CD ARG A 14 8.299 8.530 -4.370 1.00 0.00 C ATOM 161 NE ARG A 14 8.388 9.962 -4.641 1.00 0.00 N ATOM 162 CZ ARG A 14 7.645 10.586 -5.548 1.00 0.00 C ATOM 163 NH1 ARG A 14 6.764 9.907 -6.269 1.00 0.00 N ATOM 164 NH2 ARG A 14 7.784 11.892 -5.737 1.00 0.00 N ATOM 0 H ARG A 14 10.012 7.923 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 14 7.576 6.977 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.215 6.097 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.651 6.072 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.631 8.688 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.385 8.071 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.257 7.985 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.371 8.319 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 14 9.058 10.513 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.655 8.903 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.195 10.389 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.462 12.418 -5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.213 12.370 -6.434 1.00 0.00 H new ATOM 178 N LEU A 15 7.260 4.488 -1.600 1.00 0.00 N ATOM 179 CA LEU A 15 6.985 3.097 -1.256 1.00 0.00 C ATOM 180 C LEU A 15 8.113 2.186 -1.729 1.00 0.00 C ATOM 181 O LEU A 15 9.118 2.653 -2.266 1.00 0.00 O ATOM 182 CB LEU A 15 5.660 2.651 -1.877 1.00 0.00 C ATOM 183 CG LEU A 15 4.394 3.230 -1.245 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.287 3.349 -2.281 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.941 2.370 -0.074 1.00 0.00 C ATOM 0 H LEU A 15 6.504 4.957 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 15 6.914 3.023 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.669 2.918 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.604 1.564 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 15 4.622 4.228 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.394 3.763 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.612 4.007 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.060 2.363 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.039 2.797 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.731 1.360 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.729 2.336 0.679 1.00 0.00 H new ATOM 197 N ARG A 16 7.940 0.884 -1.527 1.00 0.00 N ATOM 198 CA ARG A 16 8.943 -0.093 -1.933 1.00 0.00 C ATOM 199 C ARG A 16 8.286 -1.406 -2.349 1.00 0.00 C ATOM 200 O ARG A 16 7.618 -2.059 -1.548 1.00 0.00 O ATOM 201 CB ARG A 16 9.932 -0.344 -0.793 1.00 0.00 C ATOM 202 CG ARG A 16 9.271 -0.477 0.569 1.00 0.00 C ATOM 203 CD ARG A 16 9.060 0.880 1.221 1.00 0.00 C ATOM 204 NE ARG A 16 10.272 1.368 1.874 1.00 0.00 N ATOM 205 CZ ARG A 16 10.329 2.499 2.567 1.00 0.00 C ATOM 206 NH1 ARG A 16 9.248 3.256 2.698 1.00 0.00 N ATOM 207 NH2 ARG A 16 11.469 2.876 3.132 1.00 0.00 N ATOM 0 H ARG A 16 7.114 0.481 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 16 9.482 0.311 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.494 -1.253 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.651 0.475 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.312 -0.983 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.889 -1.100 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.740 1.599 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.257 0.809 1.954 1.00 0.00 H new ATOM 0 HE ARG A 16 11.121 0.809 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.370 2.970 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.295 4.124 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.303 2.297 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.511 3.745 3.664 1.00 0.00 H new ATOM 221 N HIS A 17 8.481 -1.786 -3.608 1.00 0.00 N ATOM 222 CA HIS A 17 7.908 -3.021 -4.131 1.00 0.00 C ATOM 223 C HIS A 17 8.045 -4.155 -3.119 1.00 0.00 C ATOM 224 O HIS A 17 9.150 -4.483 -2.687 1.00 0.00 O ATOM 225 CB HIS A 17 8.589 -3.409 -5.443 1.00 0.00 C ATOM 226 CG HIS A 17 10.085 -3.353 -5.381 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.794 -2.171 -5.370 1.00 0.00 N ATOM 228 CD2 HIS A 17 11.006 -4.343 -5.326 1.00 0.00 C ATOM 229 CE1 HIS A 17 12.087 -2.436 -5.311 1.00 0.00 C ATOM 230 NE2 HIS A 17 12.242 -3.747 -5.283 1.00 0.00 N ATOM 0 H HIS A 17 9.031 -1.257 -4.284 1.00 0.00 H new ATOM 0 HA HIS A 17 6.848 -2.849 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.282 -4.418 -5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.241 -2.744 -6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.806 -5.404 -5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.882 -1.705 -5.289 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.135 -4.237 -5.237 1.00 0.00 H new ATOM 239 N GLN A 18 6.915 -4.747 -2.745 1.00 0.00 N ATOM 240 CA GLN A 18 6.910 -5.843 -1.782 1.00 0.00 C ATOM 241 C GLN A 18 6.231 -7.077 -2.366 1.00 0.00 C ATOM 242 O GLN A 18 5.123 -6.996 -2.894 1.00 0.00 O ATOM 243 CB GLN A 18 6.201 -5.416 -0.496 1.00 0.00 C ATOM 244 CG GLN A 18 4.704 -5.683 -0.510 1.00 0.00 C ATOM 245 CD GLN A 18 4.036 -5.328 0.804 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.199 -6.075 1.310 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.404 -4.181 1.364 1.00 0.00 N ATOM 0 H GLN A 18 5.992 -4.487 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 18 7.945 -6.096 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.648 -5.942 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.370 -4.352 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.244 -5.109 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.529 -6.736 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.102 -3.592 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.989 -3.889 2.249 1.00 0.00 H new ATOM 256 N GLU A 19 6.905 -8.219 -2.269 1.00 0.00 N ATOM 257 CA GLU A 19 6.366 -9.470 -2.789 1.00 0.00 C ATOM 258 C GLU A 19 5.517 -10.177 -1.736 1.00 0.00 C ATOM 259 O GLU A 19 6.043 -10.746 -0.780 1.00 0.00 O ATOM 260 CB GLU A 19 7.501 -10.389 -3.246 1.00 0.00 C ATOM 261 CG GLU A 19 7.039 -11.787 -3.620 1.00 0.00 C ATOM 262 CD GLU A 19 8.036 -12.516 -4.500 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.180 -12.130 -5.679 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.673 -13.471 -4.009 1.00 0.00 O ATOM 0 H GLU A 19 7.824 -8.303 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 19 5.732 -9.235 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.999 -9.938 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.242 -10.461 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.871 -12.365 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.082 -11.723 -4.138 1.00 0.00 H new ATOM 271 N SER A 20 4.202 -10.134 -1.919 1.00 0.00 N ATOM 272 CA SER A 20 3.279 -10.766 -0.983 1.00 0.00 C ATOM 273 C SER A 20 2.893 -12.163 -1.460 1.00 0.00 C ATOM 274 O SER A 20 3.298 -12.596 -2.539 1.00 0.00 O ATOM 275 CB SER A 20 2.023 -9.908 -0.814 1.00 0.00 C ATOM 276 OG SER A 20 1.317 -9.791 -2.037 1.00 0.00 O ATOM 0 H SER A 20 3.751 -9.668 -2.707 1.00 0.00 H new ATOM 0 HA SER A 20 3.782 -10.855 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.375 -10.351 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.301 -8.917 -0.455 1.00 0.00 H new ATOM 0 HG SER A 20 0.592 -9.140 -1.935 1.00 0.00 H new ATOM 282 N ILE A 21 2.109 -12.863 -0.647 1.00 0.00 N ATOM 283 CA ILE A 21 1.667 -14.210 -0.985 1.00 0.00 C ATOM 284 C ILE A 21 0.146 -14.308 -0.979 1.00 0.00 C ATOM 285 O ILE A 21 -0.523 -13.677 -0.161 1.00 0.00 O ATOM 286 CB ILE A 21 2.241 -15.252 -0.008 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.722 -15.501 -0.305 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.453 -16.551 -0.095 1.00 0.00 C ATOM 289 CD1 ILE A 21 4.172 -16.911 0.006 1.00 0.00 C ATOM 0 H ILE A 21 1.767 -12.519 0.250 1.00 0.00 H new ATOM 0 HA ILE A 21 2.038 -14.421 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 21 2.153 -14.863 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.913 -15.291 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.323 -14.800 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.871 -17.278 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.410 -16.362 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.512 -16.945 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.231 -17.015 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.013 -17.119 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.597 -17.617 -0.593 1.00 0.00 H new ATOM 301 N GLU A 22 -0.394 -15.104 -1.896 1.00 0.00 N ATOM 302 CA GLU A 22 -1.838 -15.285 -1.996 1.00 0.00 C ATOM 303 C GLU A 22 -2.429 -15.693 -0.649 1.00 0.00 C ATOM 304 O GLU A 22 -1.878 -16.541 0.052 1.00 0.00 O ATOM 305 CB GLU A 22 -2.171 -16.341 -3.052 1.00 0.00 C ATOM 306 CG GLU A 22 -3.558 -16.942 -2.896 1.00 0.00 C ATOM 307 CD GLU A 22 -3.776 -18.147 -3.790 1.00 0.00 C ATOM 308 OE1 GLU A 22 -2.925 -19.061 -3.770 1.00 0.00 O ATOM 309 OE2 GLU A 22 -4.795 -18.176 -4.510 1.00 0.00 O ATOM 0 H GLU A 22 0.146 -15.634 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.278 -14.333 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.088 -15.892 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.431 -17.139 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.709 -17.234 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.306 -16.184 -3.126 1.00 0.00 H new ATOM 316 N GLY A 23 -3.554 -15.081 -0.293 1.00 0.00 N ATOM 317 CA GLY A 23 -4.202 -15.392 0.968 1.00 0.00 C ATOM 318 C GLY A 23 -3.636 -14.591 2.123 1.00 0.00 C ATOM 319 O GLY A 23 -4.354 -14.250 3.062 1.00 0.00 O ATOM 0 H GLY A 23 -4.029 -14.375 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.271 -15.195 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.090 -16.456 1.178 1.00 0.00 H new ATOM 323 N ALA A 24 -2.343 -14.290 2.056 1.00 0.00 N ATOM 324 CA ALA A 24 -1.681 -13.524 3.104 1.00 0.00 C ATOM 325 C ALA A 24 -2.219 -12.098 3.165 1.00 0.00 C ATOM 326 O ALA A 24 -2.944 -11.658 2.272 1.00 0.00 O ATOM 327 CB ALA A 24 -0.176 -13.512 2.879 1.00 0.00 C ATOM 0 H ALA A 24 -1.733 -14.565 1.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.891 -14.006 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.305 -12.936 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.202 -14.534 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.044 -13.057 1.913 1.00 0.00 H new ATOM 333 N THR A 25 -1.862 -11.380 4.226 1.00 0.00 N ATOM 334 CA THR A 25 -2.311 -10.005 4.405 1.00 0.00 C ATOM 335 C THR A 25 -1.211 -9.016 4.037 1.00 0.00 C ATOM 336 O THR A 25 -0.242 -8.848 4.776 1.00 0.00 O ATOM 337 CB THR A 25 -2.757 -9.744 5.856 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.578 -10.822 6.317 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.524 -8.435 5.959 1.00 0.00 C ATOM 0 H THR A 25 -1.263 -11.729 4.974 1.00 0.00 H new ATOM 0 HA THR A 25 -3.163 -9.861 3.740 1.00 0.00 H new ATOM 0 HB THR A 25 -1.866 -9.674 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.509 -10.657 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.829 -8.272 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.886 -7.613 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.408 -8.480 5.323 1.00 0.00 H new ATOM 347 N ALA A 26 -1.369 -8.362 2.891 1.00 0.00 N ATOM 348 CA ALA A 26 -0.391 -7.386 2.427 1.00 0.00 C ATOM 349 C ALA A 26 -0.366 -6.160 3.333 1.00 0.00 C ATOM 350 O ALA A 26 -1.413 -5.622 3.697 1.00 0.00 O ATOM 351 CB ALA A 26 -0.691 -6.979 0.992 1.00 0.00 C ATOM 0 H ALA A 26 -2.165 -8.491 2.267 1.00 0.00 H new ATOM 0 HA ALA A 26 0.594 -7.851 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.047 -6.250 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.649 -7.858 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.686 -6.538 0.939 1.00 0.00 H new ATOM 357 N THR A 27 0.835 -5.721 3.695 1.00 0.00 N ATOM 358 CA THR A 27 0.996 -4.559 4.560 1.00 0.00 C ATOM 359 C THR A 27 2.052 -3.607 4.011 1.00 0.00 C ATOM 360 O THR A 27 3.246 -3.777 4.260 1.00 0.00 O ATOM 361 CB THR A 27 1.389 -4.974 5.991 1.00 0.00 C ATOM 362 OG1 THR A 27 0.417 -5.881 6.522 1.00 0.00 O ATOM 363 CG2 THR A 27 1.502 -3.756 6.895 1.00 0.00 C ATOM 0 H THR A 27 1.711 -6.153 3.402 1.00 0.00 H new ATOM 0 HA THR A 27 0.032 -4.050 4.589 1.00 0.00 H new ATOM 0 HB THR A 27 2.360 -5.467 5.950 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.675 -6.141 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.780 -4.073 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.264 -3.082 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.543 -3.239 6.930 1.00 0.00 H new ATOM 371 N LEU A 28 1.606 -2.603 3.264 1.00 0.00 N ATOM 372 CA LEU A 28 2.513 -1.621 2.680 1.00 0.00 C ATOM 373 C LEU A 28 2.803 -0.494 3.665 1.00 0.00 C ATOM 374 O LEU A 28 2.103 -0.334 4.665 1.00 0.00 O ATOM 375 CB LEU A 28 1.917 -1.049 1.393 1.00 0.00 C ATOM 376 CG LEU A 28 2.099 -1.897 0.134 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.935 -1.689 -0.823 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.418 -1.563 -0.548 1.00 0.00 C ATOM 0 H LEU A 28 0.621 -2.448 3.048 1.00 0.00 H new ATOM 0 HA LEU A 28 3.451 -2.124 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.850 -0.891 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.361 -0.070 1.215 1.00 0.00 H new ATOM 0 HG LEU A 28 2.119 -2.947 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.082 -2.301 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.005 -1.979 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.882 -0.639 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.531 -2.176 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.427 -0.509 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.242 -1.764 0.136 1.00 0.00 H new ATOM 390 N ARG A 29 3.838 0.288 3.374 1.00 0.00 N ATOM 391 CA ARG A 29 4.220 1.401 4.234 1.00 0.00 C ATOM 392 C ARG A 29 4.962 2.472 3.440 1.00 0.00 C ATOM 393 O ARG A 29 5.768 2.160 2.562 1.00 0.00 O ATOM 394 CB ARG A 29 5.096 0.907 5.387 1.00 0.00 C ATOM 395 CG ARG A 29 5.369 1.966 6.442 1.00 0.00 C ATOM 396 CD ARG A 29 5.570 1.345 7.815 1.00 0.00 C ATOM 397 NE ARG A 29 6.478 2.133 8.644 1.00 0.00 N ATOM 398 CZ ARG A 29 6.477 2.100 9.972 1.00 0.00 C ATOM 399 NH1 ARG A 29 5.620 1.321 10.618 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.334 2.846 10.657 1.00 0.00 N ATOM 0 H ARG A 29 4.427 0.171 2.549 1.00 0.00 H new ATOM 0 HA ARG A 29 3.310 1.840 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.612 0.052 5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.046 0.554 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.256 2.536 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.537 2.669 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.607 1.255 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.966 0.336 7.702 1.00 0.00 H new ATOM 0 HE ARG A 29 7.150 2.742 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.960 0.746 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.621 1.297 11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.995 3.446 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.332 2.819 11.677 1.00 0.00 H new ATOM 414 N CYS A 30 4.685 3.733 3.753 1.00 0.00 N ATOM 415 CA CYS A 30 5.326 4.849 3.067 1.00 0.00 C ATOM 416 C CYS A 30 5.651 5.973 4.046 1.00 0.00 C ATOM 417 O CYS A 30 5.306 5.902 5.224 1.00 0.00 O ATOM 418 CB CYS A 30 4.423 5.375 1.950 1.00 0.00 C ATOM 419 SG CYS A 30 3.055 6.405 2.530 1.00 0.00 S ATOM 0 H CYS A 30 4.021 4.008 4.477 1.00 0.00 H new ATOM 0 HA CYS A 30 6.258 4.489 2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.027 5.953 1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.017 4.528 1.397 1.00 0.00 H new ATOM 0 HG CYS A 30 2.039 6.268 1.730 1.00 0.00 H new ATOM 425 N GLU A 31 6.320 7.009 3.548 1.00 0.00 N ATOM 426 CA GLU A 31 6.694 8.147 4.380 1.00 0.00 C ATOM 427 C GLU A 31 6.358 9.463 3.685 1.00 0.00 C ATOM 428 O GLU A 31 6.388 9.555 2.457 1.00 0.00 O ATOM 429 CB GLU A 31 8.188 8.097 4.708 1.00 0.00 C ATOM 430 CG GLU A 31 8.547 8.788 6.013 1.00 0.00 C ATOM 431 CD GLU A 31 10.001 8.592 6.395 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.830 8.376 5.486 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.311 8.654 7.603 1.00 0.00 O ATOM 0 H GLU A 31 6.614 7.083 2.574 1.00 0.00 H new ATOM 0 HA GLU A 31 6.123 8.090 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.506 7.056 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.746 8.562 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.339 9.854 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.911 8.404 6.810 1.00 0.00 H new ATOM 440 N LEU A 32 6.038 10.479 4.478 1.00 0.00 N ATOM 441 CA LEU A 32 5.695 11.791 3.940 1.00 0.00 C ATOM 442 C LEU A 32 6.511 12.887 4.618 1.00 0.00 C ATOM 443 O LEU A 32 7.141 12.658 5.650 1.00 0.00 O ATOM 444 CB LEU A 32 4.201 12.065 4.122 1.00 0.00 C ATOM 445 CG LEU A 32 3.252 11.158 3.338 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.849 11.224 3.920 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.240 11.544 1.866 1.00 0.00 C ATOM 0 H LEU A 32 6.009 10.420 5.496 1.00 0.00 H new ATOM 0 HA LEU A 32 5.931 11.793 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.962 11.977 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.004 13.098 3.835 1.00 0.00 H new ATOM 0 HG LEU A 32 3.609 10.132 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.187 10.572 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.871 10.898 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.482 12.249 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.559 10.888 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.907 12.577 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.245 11.444 1.455 1.00 0.00 H new ATOM 459 N SER A 33 6.493 14.080 4.031 1.00 0.00 N ATOM 460 CA SER A 33 7.232 15.212 4.578 1.00 0.00 C ATOM 461 C SER A 33 6.620 15.675 5.896 1.00 0.00 C ATOM 462 O SER A 33 7.272 16.347 6.695 1.00 0.00 O ATOM 463 CB SER A 33 7.249 16.368 3.576 1.00 0.00 C ATOM 464 OG SER A 33 8.091 17.417 4.023 1.00 0.00 O ATOM 0 H SER A 33 5.975 14.287 3.177 1.00 0.00 H new ATOM 0 HA SER A 33 8.256 14.889 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.594 16.008 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.236 16.745 3.434 1.00 0.00 H new ATOM 0 HG SER A 33 8.086 18.143 3.365 1.00 0.00 H new ATOM 470 N LYS A 34 5.362 15.310 6.118 1.00 0.00 N ATOM 471 CA LYS A 34 4.659 15.685 7.339 1.00 0.00 C ATOM 472 C LYS A 34 3.325 14.955 7.446 1.00 0.00 C ATOM 473 O LYS A 34 2.638 14.748 6.445 1.00 0.00 O ATOM 474 CB LYS A 34 4.429 17.198 7.375 1.00 0.00 C ATOM 475 CG LYS A 34 3.621 17.718 6.199 1.00 0.00 C ATOM 476 CD LYS A 34 2.934 19.032 6.533 1.00 0.00 C ATOM 477 CE LYS A 34 2.274 19.643 5.306 1.00 0.00 C ATOM 478 NZ LYS A 34 1.481 20.856 5.649 1.00 0.00 N ATOM 0 H LYS A 34 4.808 14.754 5.467 1.00 0.00 H new ATOM 0 HA LYS A 34 5.279 15.397 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.915 17.457 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.394 17.704 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.276 17.857 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.874 16.978 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.184 18.865 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.663 19.732 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.039 19.904 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.624 18.904 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.047 21.243 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.735 20.603 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.106 21.571 6.073 1.00 0.00 H new ATOM 492 N ALA A 35 2.963 14.567 8.664 1.00 0.00 N ATOM 493 CA ALA A 35 1.709 13.863 8.901 1.00 0.00 C ATOM 494 C ALA A 35 0.591 14.425 8.030 1.00 0.00 C ATOM 495 O ALA A 35 0.173 15.570 8.202 1.00 0.00 O ATOM 496 CB ALA A 35 1.327 13.945 10.372 1.00 0.00 C ATOM 0 H ALA A 35 3.521 14.728 9.503 1.00 0.00 H new ATOM 0 HA ALA A 35 1.852 12.816 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.388 13.415 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.111 13.489 10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.208 14.990 10.659 1.00 0.00 H new ATOM 502 N ALA A 36 0.111 13.612 7.094 1.00 0.00 N ATOM 503 CA ALA A 36 -0.960 14.029 6.197 1.00 0.00 C ATOM 504 C ALA A 36 -1.734 12.825 5.670 1.00 0.00 C ATOM 505 O ALA A 36 -1.205 11.719 5.555 1.00 0.00 O ATOM 506 CB ALA A 36 -0.395 14.842 5.043 1.00 0.00 C ATOM 0 H ALA A 36 0.447 12.662 6.937 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.652 14.654 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.206 15.147 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.107 15.727 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.319 14.236 4.486 1.00 0.00 H new ATOM 512 N PRO A 37 -3.016 13.042 5.341 1.00 0.00 N ATOM 513 CA PRO A 37 -3.889 11.986 4.820 1.00 0.00 C ATOM 514 C PRO A 37 -3.499 11.553 3.411 1.00 0.00 C ATOM 515 O PRO A 37 -3.119 12.378 2.580 1.00 0.00 O ATOM 516 CB PRO A 37 -5.273 12.641 4.814 1.00 0.00 C ATOM 517 CG PRO A 37 -5.000 14.102 4.712 1.00 0.00 C ATOM 518 CD PRO A 37 -3.711 14.335 5.451 1.00 0.00 C ATOM 0 HA PRO A 37 -3.834 11.079 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.873 12.291 3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.827 12.404 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.914 14.411 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.812 14.682 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.131 15.142 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.888 14.609 6.491 1.00 0.00 H new ATOM 526 N VAL A 38 -3.595 10.254 3.148 1.00 0.00 N ATOM 527 CA VAL A 38 -3.254 9.711 1.839 1.00 0.00 C ATOM 528 C VAL A 38 -4.383 8.846 1.291 1.00 0.00 C ATOM 529 O VAL A 38 -5.407 8.658 1.946 1.00 0.00 O ATOM 530 CB VAL A 38 -1.962 8.874 1.897 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.795 9.725 2.375 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.153 7.663 2.798 1.00 0.00 C ATOM 0 H VAL A 38 -3.906 9.557 3.825 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.097 10.561 1.175 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.734 8.519 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.109 9.117 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.646 10.557 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.011 10.111 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.231 7.083 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.406 7.995 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.960 7.043 2.408 1.00 0.00 H new ATOM 542 N GLU A 39 -4.187 8.320 0.085 1.00 0.00 N ATOM 543 CA GLU A 39 -5.190 7.474 -0.551 1.00 0.00 C ATOM 544 C GLU A 39 -4.533 6.448 -1.469 1.00 0.00 C ATOM 545 O GLU A 39 -4.075 6.781 -2.562 1.00 0.00 O ATOM 546 CB GLU A 39 -6.179 8.328 -1.347 1.00 0.00 C ATOM 547 CG GLU A 39 -7.354 7.541 -1.902 1.00 0.00 C ATOM 548 CD GLU A 39 -8.522 8.428 -2.285 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.278 9.569 -2.730 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.679 7.982 -2.141 1.00 0.00 O ATOM 0 H GLU A 39 -3.344 8.465 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.729 6.942 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.557 9.124 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.651 8.806 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.028 6.978 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.683 6.814 -1.159 1.00 0.00 H new ATOM 557 N TRP A 40 -4.491 5.200 -1.017 1.00 0.00 N ATOM 558 CA TRP A 40 -3.889 4.125 -1.797 1.00 0.00 C ATOM 559 C TRP A 40 -4.747 3.788 -3.012 1.00 0.00 C ATOM 560 O TRP A 40 -5.962 3.985 -2.999 1.00 0.00 O ATOM 561 CB TRP A 40 -3.702 2.879 -0.929 1.00 0.00 C ATOM 562 CG TRP A 40 -2.856 3.123 0.284 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.217 3.801 1.413 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.507 2.690 0.488 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.174 3.817 2.306 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.113 3.141 1.763 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.594 1.964 -0.281 1.00 0.00 C ATOM 568 CZ2 TRP A 40 0.154 2.890 2.283 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.664 1.716 0.236 1.00 0.00 C ATOM 570 CH2 TRP A 40 1.028 2.177 1.509 1.00 0.00 C ATOM 0 H TRP A 40 -4.866 4.908 -0.115 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.914 4.466 -2.146 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.680 2.514 -0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.246 2.092 -1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.181 4.258 1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.187 4.260 3.225 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.866 1.603 -1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.437 3.246 3.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.378 1.158 -0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.018 1.965 1.886 1.00 0.00 H new ATOM 581 N ARG A 41 -4.107 3.280 -4.060 1.00 0.00 N ATOM 582 CA ARG A 41 -4.812 2.918 -5.284 1.00 0.00 C ATOM 583 C ARG A 41 -4.207 1.664 -5.909 1.00 0.00 C ATOM 584 O ARG A 41 -3.089 1.692 -6.425 1.00 0.00 O ATOM 585 CB ARG A 41 -4.767 4.073 -6.285 1.00 0.00 C ATOM 586 CG ARG A 41 -5.645 5.251 -5.897 1.00 0.00 C ATOM 587 CD ARG A 41 -5.963 6.129 -7.097 1.00 0.00 C ATOM 588 NE ARG A 41 -4.966 7.180 -7.286 1.00 0.00 N ATOM 589 CZ ARG A 41 -4.934 7.979 -8.346 1.00 0.00 C ATOM 590 NH1 ARG A 41 -5.838 7.850 -9.307 1.00 0.00 N ATOM 591 NH2 ARG A 41 -3.995 8.912 -8.445 1.00 0.00 N ATOM 0 H ARG A 41 -3.102 3.110 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.851 2.710 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.737 4.416 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.077 3.707 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.573 4.885 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.142 5.845 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.014 5.512 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.946 6.581 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.256 7.307 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.562 7.135 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.810 8.466 -10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.298 9.015 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.970 9.526 -9.259 1.00 0.00 H new ATOM 605 N LYS A 42 -4.952 0.565 -5.859 1.00 0.00 N ATOM 606 CA LYS A 42 -4.491 -0.699 -6.420 1.00 0.00 C ATOM 607 C LYS A 42 -4.566 -0.677 -7.944 1.00 0.00 C ATOM 608 O LYS A 42 -5.528 -1.164 -8.535 1.00 0.00 O ATOM 609 CB LYS A 42 -5.328 -1.858 -5.875 1.00 0.00 C ATOM 610 CG LYS A 42 -5.009 -3.195 -6.521 1.00 0.00 C ATOM 611 CD LYS A 42 -6.024 -4.258 -6.134 1.00 0.00 C ATOM 612 CE LYS A 42 -6.168 -5.312 -7.221 1.00 0.00 C ATOM 613 NZ LYS A 42 -6.968 -4.815 -8.374 1.00 0.00 N ATOM 0 H LYS A 42 -5.879 0.524 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.451 -0.840 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.168 -1.936 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.384 -1.634 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.995 -3.082 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.012 -3.516 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.717 -4.734 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.991 -3.790 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.180 -5.613 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.644 -6.200 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.172 -5.604 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.861 -4.410 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.430 -4.083 -8.880 1.00 0.00 H new ATOM 627 N GLY A 43 -3.541 -0.110 -8.574 1.00 0.00 N ATOM 628 CA GLY A 43 -3.510 -0.037 -10.023 1.00 0.00 C ATOM 629 C GLY A 43 -4.351 1.102 -10.564 1.00 0.00 C ATOM 630 O GLY A 43 -3.832 2.177 -10.866 1.00 0.00 O ATOM 0 H GLY A 43 -2.732 0.300 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.479 0.087 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.868 -0.979 -10.439 1.00 0.00 H new ATOM 634 N ARG A 44 -5.653 0.867 -10.689 1.00 0.00 N ATOM 635 CA ARG A 44 -6.567 1.881 -11.201 1.00 0.00 C ATOM 636 C ARG A 44 -7.823 1.966 -10.338 1.00 0.00 C ATOM 637 O ARG A 44 -8.906 2.279 -10.831 1.00 0.00 O ATOM 638 CB ARG A 44 -6.951 1.568 -12.648 1.00 0.00 C ATOM 639 CG ARG A 44 -7.683 0.247 -12.813 1.00 0.00 C ATOM 640 CD ARG A 44 -8.242 0.091 -14.218 1.00 0.00 C ATOM 641 NE ARG A 44 -9.186 1.154 -14.554 1.00 0.00 N ATOM 642 CZ ARG A 44 -8.822 2.324 -15.067 1.00 0.00 C ATOM 643 NH1 ARG A 44 -7.543 2.579 -15.303 1.00 0.00 N ATOM 644 NH2 ARG A 44 -9.740 3.241 -15.346 1.00 0.00 N ATOM 0 H ARG A 44 -6.099 -0.017 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.057 2.844 -11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.580 2.372 -13.030 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.048 1.552 -13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.002 -0.577 -12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.495 0.187 -12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.422 0.094 -14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.739 -0.875 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.178 0.989 -14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.835 1.876 -15.091 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.267 3.478 -15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.725 3.047 -15.166 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.460 4.139 -15.740 1.00 0.00 H new ATOM 658 N GLU A 45 -7.668 1.685 -9.048 1.00 0.00 N ATOM 659 CA GLU A 45 -8.790 1.729 -8.117 1.00 0.00 C ATOM 660 C GLU A 45 -8.437 2.545 -6.877 1.00 0.00 C ATOM 661 O GLU A 45 -7.279 2.905 -6.667 1.00 0.00 O ATOM 662 CB GLU A 45 -9.199 0.312 -7.710 1.00 0.00 C ATOM 663 CG GLU A 45 -10.699 0.134 -7.547 1.00 0.00 C ATOM 664 CD GLU A 45 -11.057 -1.108 -6.754 1.00 0.00 C ATOM 665 OE1 GLU A 45 -10.667 -1.188 -5.570 1.00 0.00 O ATOM 666 OE2 GLU A 45 -11.727 -1.999 -7.317 1.00 0.00 O ATOM 0 H GLU A 45 -6.778 1.425 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.628 2.211 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.838 -0.391 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.707 0.057 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.113 1.010 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.163 0.078 -8.532 1.00 0.00 H new ATOM 673 N SER A 46 -9.444 2.832 -6.058 1.00 0.00 N ATOM 674 CA SER A 46 -9.241 3.609 -4.841 1.00 0.00 C ATOM 675 C SER A 46 -9.482 2.751 -3.603 1.00 0.00 C ATOM 676 O SER A 46 -10.602 2.303 -3.352 1.00 0.00 O ATOM 677 CB SER A 46 -10.173 4.822 -4.824 1.00 0.00 C ATOM 678 OG SER A 46 -10.459 5.228 -3.497 1.00 0.00 O ATOM 0 H SER A 46 -10.408 2.538 -6.215 1.00 0.00 H new ATOM 0 HA SER A 46 -8.207 3.954 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.712 5.646 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.101 4.578 -5.341 1.00 0.00 H new ATOM 0 HG SER A 46 -10.113 6.133 -3.350 1.00 0.00 H new ATOM 684 N LEU A 47 -8.424 2.526 -2.832 1.00 0.00 N ATOM 685 CA LEU A 47 -8.519 1.722 -1.618 1.00 0.00 C ATOM 686 C LEU A 47 -8.955 2.576 -0.432 1.00 0.00 C ATOM 687 O LEU A 47 -8.408 3.653 -0.195 1.00 0.00 O ATOM 688 CB LEU A 47 -7.175 1.058 -1.317 1.00 0.00 C ATOM 689 CG LEU A 47 -6.496 0.352 -2.491 1.00 0.00 C ATOM 690 CD1 LEU A 47 -5.234 -0.360 -2.030 1.00 0.00 C ATOM 691 CD2 LEU A 47 -7.454 -0.630 -3.149 1.00 0.00 C ATOM 0 H LEU A 47 -7.491 2.889 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.271 0.949 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.495 1.819 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.323 0.331 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.215 1.104 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.765 -0.856 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.541 0.366 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.490 -1.101 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.954 -1.123 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.767 -1.377 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.329 -0.094 -3.517 1.00 0.00 H new ATOM 703 N ARG A 48 -9.942 2.086 0.312 1.00 0.00 N ATOM 704 CA ARG A 48 -10.450 2.804 1.475 1.00 0.00 C ATOM 705 C ARG A 48 -10.599 1.867 2.670 1.00 0.00 C ATOM 706 O ARG A 48 -10.752 0.656 2.506 1.00 0.00 O ATOM 707 CB ARG A 48 -11.797 3.453 1.151 1.00 0.00 C ATOM 708 CG ARG A 48 -11.778 4.297 -0.113 1.00 0.00 C ATOM 709 CD ARG A 48 -13.143 4.905 -0.397 1.00 0.00 C ATOM 710 NE ARG A 48 -13.077 5.940 -1.425 1.00 0.00 N ATOM 711 CZ ARG A 48 -12.951 5.682 -2.722 1.00 0.00 C ATOM 712 NH1 ARG A 48 -12.877 4.428 -3.147 1.00 0.00 N ATOM 713 NH2 ARG A 48 -12.898 6.678 -3.596 1.00 0.00 N ATOM 0 H ARG A 48 -10.405 1.196 0.130 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.732 3.582 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.551 2.673 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.101 4.078 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.039 5.091 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.469 3.682 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.830 4.121 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.548 5.331 0.521 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.131 6.915 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.917 3.659 -2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.780 4.232 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.954 7.644 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.801 6.478 -4.592 1.00 0.00 H new ATOM 727 N ASP A 49 -10.554 2.435 3.870 1.00 0.00 N ATOM 728 CA ASP A 49 -10.684 1.650 5.092 1.00 0.00 C ATOM 729 C ASP A 49 -12.089 1.067 5.216 1.00 0.00 C ATOM 730 O ASP A 49 -13.076 1.800 5.253 1.00 0.00 O ATOM 731 CB ASP A 49 -10.368 2.514 6.314 1.00 0.00 C ATOM 732 CG ASP A 49 -11.188 2.124 7.528 1.00 0.00 C ATOM 733 OD1 ASP A 49 -11.102 0.952 7.949 1.00 0.00 O ATOM 734 OD2 ASP A 49 -11.917 2.990 8.056 1.00 0.00 O ATOM 0 H ASP A 49 -10.429 3.436 4.023 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.971 0.827 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.308 2.427 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.556 3.560 6.074 1.00 0.00 H new ATOM 739 N GLY A 50 -12.170 -0.259 5.280 1.00 0.00 N ATOM 740 CA GLY A 50 -13.457 -0.918 5.398 1.00 0.00 C ATOM 741 C GLY A 50 -13.360 -2.258 6.100 1.00 0.00 C ATOM 742 O GLY A 50 -12.621 -2.403 7.074 1.00 0.00 O ATOM 0 H GLY A 50 -11.367 -0.888 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.143 -0.273 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.881 -1.062 4.404 1.00 0.00 H new ATOM 746 N ASP A 51 -14.109 -3.238 5.607 1.00 0.00 N ATOM 747 CA ASP A 51 -14.104 -4.573 6.195 1.00 0.00 C ATOM 748 C ASP A 51 -12.716 -4.934 6.713 1.00 0.00 C ATOM 749 O ASP A 51 -12.486 -4.981 7.921 1.00 0.00 O ATOM 750 CB ASP A 51 -14.564 -5.608 5.166 1.00 0.00 C ATOM 751 CG ASP A 51 -16.074 -5.680 5.052 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.759 -5.409 6.061 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.570 -6.008 3.955 1.00 0.00 O ATOM 0 H ASP A 51 -14.727 -3.134 4.802 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.797 -4.575 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.140 -5.361 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.176 -6.588 5.443 1.00 0.00 H new ATOM 758 N ARG A 52 -11.794 -5.190 5.790 1.00 0.00 N ATOM 759 CA ARG A 52 -10.428 -5.549 6.154 1.00 0.00 C ATOM 760 C ARG A 52 -9.461 -4.416 5.825 1.00 0.00 C ATOM 761 O ARG A 52 -8.641 -4.024 6.656 1.00 0.00 O ATOM 762 CB ARG A 52 -10.003 -6.825 5.425 1.00 0.00 C ATOM 763 CG ARG A 52 -10.236 -8.093 6.230 1.00 0.00 C ATOM 764 CD ARG A 52 -9.324 -8.157 7.445 1.00 0.00 C ATOM 765 NE ARG A 52 -9.933 -8.897 8.548 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.383 -9.005 9.752 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.220 -8.423 10.008 1.00 0.00 N ATOM 768 NH2 ARG A 52 -9.998 -9.696 10.704 1.00 0.00 N ATOM 0 H ARG A 52 -11.968 -5.156 4.786 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.400 -5.726 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.550 -6.896 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.945 -6.754 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.276 -8.135 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.063 -8.964 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.382 -8.630 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.087 -7.145 7.774 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.829 -9.356 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.745 -7.890 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.800 -8.508 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.894 -10.144 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.575 -9.779 11.628 1.00 0.00 H new ATOM 782 N HIS A 53 -9.563 -3.893 4.607 1.00 0.00 N ATOM 783 CA HIS A 53 -8.698 -2.804 4.167 1.00 0.00 C ATOM 784 C HIS A 53 -8.469 -1.803 5.295 1.00 0.00 C ATOM 785 O HIS A 53 -9.406 -1.153 5.760 1.00 0.00 O ATOM 786 CB HIS A 53 -9.308 -2.097 2.957 1.00 0.00 C ATOM 787 CG HIS A 53 -9.255 -2.908 1.699 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.148 -3.921 1.419 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.411 -2.850 0.643 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.854 -4.452 0.246 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.804 -3.820 -0.246 1.00 0.00 N ATOM 0 H HIS A 53 -10.236 -4.206 3.907 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.736 -3.229 3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.347 -1.850 3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.784 -1.155 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.583 -2.168 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.382 -5.265 -0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.357 -4.020 -1.141 1.00 0.00 H new ATOM 800 N SER A 54 -7.219 -1.684 5.731 1.00 0.00 N ATOM 801 CA SER A 54 -6.868 -0.765 6.807 1.00 0.00 C ATOM 802 C SER A 54 -5.825 0.245 6.341 1.00 0.00 C ATOM 803 O SER A 54 -4.754 -0.127 5.861 1.00 0.00 O ATOM 804 CB SER A 54 -6.340 -1.540 8.016 1.00 0.00 C ATOM 805 OG SER A 54 -6.653 -0.873 9.226 1.00 0.00 O ATOM 0 H SER A 54 -6.432 -2.213 5.355 1.00 0.00 H new ATOM 0 HA SER A 54 -7.768 -0.223 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.771 -2.541 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.260 -1.659 7.932 1.00 0.00 H new ATOM 0 HG SER A 54 -7.618 -0.925 9.388 1.00 0.00 H new ATOM 811 N LEU A 55 -6.146 1.526 6.485 1.00 0.00 N ATOM 812 CA LEU A 55 -5.237 2.593 6.079 1.00 0.00 C ATOM 813 C LEU A 55 -4.713 3.353 7.293 1.00 0.00 C ATOM 814 O LEU A 55 -4.454 4.555 7.221 1.00 0.00 O ATOM 815 CB LEU A 55 -5.945 3.557 5.125 1.00 0.00 C ATOM 816 CG LEU A 55 -6.495 2.945 3.837 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.390 2.236 3.069 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.633 1.983 4.147 1.00 0.00 C ATOM 0 H LEU A 55 -7.028 1.851 6.880 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.390 2.139 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.770 4.027 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.246 4.350 4.857 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.885 3.749 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.800 1.806 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.607 2.951 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.970 1.442 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.012 1.557 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.268 1.183 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.435 2.519 4.654 1.00 0.00 H new ATOM 830 N ARG A 56 -4.556 2.645 8.406 1.00 0.00 N ATOM 831 CA ARG A 56 -4.062 3.252 9.635 1.00 0.00 C ATOM 832 C ARG A 56 -2.859 4.148 9.353 1.00 0.00 C ATOM 833 O ARG A 56 -2.120 3.926 8.395 1.00 0.00 O ATOM 834 CB ARG A 56 -3.679 2.170 10.646 1.00 0.00 C ATOM 835 CG ARG A 56 -2.859 1.039 10.047 1.00 0.00 C ATOM 836 CD ARG A 56 -3.000 -0.241 10.856 1.00 0.00 C ATOM 837 NE ARG A 56 -4.369 -0.750 10.840 1.00 0.00 N ATOM 838 CZ ARG A 56 -4.825 -1.657 11.696 1.00 0.00 C ATOM 839 NH1 ARG A 56 -4.027 -2.152 12.631 1.00 0.00 N ATOM 840 NH2 ARG A 56 -6.084 -2.071 11.617 1.00 0.00 N ATOM 0 H ARG A 56 -4.764 1.649 8.482 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.860 3.865 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.113 2.627 11.458 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.587 1.756 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.180 0.859 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.810 1.331 10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.327 -0.999 10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.694 -0.055 11.886 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.010 -0.389 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.059 -1.836 12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.381 -2.849 13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.701 -1.692 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.434 -2.768 12.275 1.00 0.00 H new ATOM 854 N GLN A 57 -2.671 5.160 10.194 1.00 0.00 N ATOM 855 CA GLN A 57 -1.559 6.089 10.034 1.00 0.00 C ATOM 856 C GLN A 57 -0.924 6.416 11.382 1.00 0.00 C ATOM 857 O GLN A 57 -1.617 6.539 12.392 1.00 0.00 O ATOM 858 CB GLN A 57 -2.035 7.375 9.356 1.00 0.00 C ATOM 859 CG GLN A 57 -2.145 7.261 7.844 1.00 0.00 C ATOM 860 CD GLN A 57 -2.482 8.582 7.182 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.631 8.831 6.815 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.480 9.439 7.025 1.00 0.00 N ATOM 0 H GLN A 57 -3.274 5.357 10.993 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.807 5.612 9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.008 7.652 9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.345 8.182 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.203 6.888 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.911 6.528 7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.543 9.192 7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.647 10.344 6.586 1.00 0.00 H new ATOM 871 N ASP A 58 0.397 6.555 11.390 1.00 0.00 N ATOM 872 CA ASP A 58 1.125 6.869 12.613 1.00 0.00 C ATOM 873 C ASP A 58 2.058 8.057 12.401 1.00 0.00 C ATOM 874 O ASP A 58 3.275 7.898 12.321 1.00 0.00 O ATOM 875 CB ASP A 58 1.927 5.653 13.081 1.00 0.00 C ATOM 876 CG ASP A 58 2.396 5.786 14.516 1.00 0.00 C ATOM 877 OD1 ASP A 58 1.578 6.178 15.374 1.00 0.00 O ATOM 878 OD2 ASP A 58 3.583 5.499 14.782 1.00 0.00 O ATOM 0 H ASP A 58 0.985 6.455 10.563 1.00 0.00 H new ATOM 0 HA ASP A 58 0.398 7.133 13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.313 4.757 12.984 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.791 5.519 12.430 1.00 0.00 H new ATOM 883 N GLY A 59 1.477 9.250 12.310 1.00 0.00 N ATOM 884 CA GLY A 59 2.271 10.448 12.107 1.00 0.00 C ATOM 885 C GLY A 59 2.563 10.708 10.642 1.00 0.00 C ATOM 886 O GLY A 59 1.655 11.000 9.864 1.00 0.00 O ATOM 0 H GLY A 59 0.471 9.408 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.744 11.305 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.211 10.354 12.651 1.00 0.00 H new ATOM 890 N ALA A 60 3.833 10.605 10.266 1.00 0.00 N ATOM 891 CA ALA A 60 4.242 10.831 8.885 1.00 0.00 C ATOM 892 C ALA A 60 4.507 9.512 8.168 1.00 0.00 C ATOM 893 O ALA A 60 5.254 9.464 7.191 1.00 0.00 O ATOM 894 CB ALA A 60 5.478 11.717 8.839 1.00 0.00 C ATOM 0 H ALA A 60 4.597 10.366 10.898 1.00 0.00 H new ATOM 0 HA ALA A 60 3.426 11.337 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.772 11.877 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.255 12.677 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.293 11.233 9.377 1.00 0.00 H new ATOM 900 N VAL A 61 3.890 8.442 8.659 1.00 0.00 N ATOM 901 CA VAL A 61 4.059 7.121 8.065 1.00 0.00 C ATOM 902 C VAL A 61 2.715 6.426 7.879 1.00 0.00 C ATOM 903 O VAL A 61 1.984 6.197 8.844 1.00 0.00 O ATOM 904 CB VAL A 61 4.970 6.229 8.929 1.00 0.00 C ATOM 905 CG1 VAL A 61 5.162 4.869 8.275 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.310 6.910 9.166 1.00 0.00 C ATOM 0 H VAL A 61 3.268 8.464 9.467 1.00 0.00 H new ATOM 0 HA VAL A 61 4.526 7.270 7.091 1.00 0.00 H new ATOM 0 HB VAL A 61 4.489 6.075 9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.808 4.253 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.194 4.380 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.621 4.998 7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.942 6.267 9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.799 7.094 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.151 7.858 9.681 1.00 0.00 H new ATOM 916 N CYS A 62 2.395 6.093 6.634 1.00 0.00 N ATOM 917 CA CYS A 62 1.137 5.423 6.320 1.00 0.00 C ATOM 918 C CYS A 62 1.353 3.926 6.123 1.00 0.00 C ATOM 919 O CYS A 62 2.464 3.483 5.833 1.00 0.00 O ATOM 920 CB CYS A 62 0.511 6.031 5.064 1.00 0.00 C ATOM 921 SG CYS A 62 0.233 7.814 5.167 1.00 0.00 S ATOM 0 H CYS A 62 2.989 6.276 5.825 1.00 0.00 H new ATOM 0 HA CYS A 62 0.458 5.566 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.158 5.824 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.441 5.536 4.869 1.00 0.00 H new ATOM 0 HG CYS A 62 1.059 8.429 4.373 1.00 0.00 H new ATOM 927 N GLU A 63 0.283 3.153 6.283 1.00 0.00 N ATOM 928 CA GLU A 63 0.357 1.706 6.125 1.00 0.00 C ATOM 929 C GLU A 63 -0.970 1.145 5.621 1.00 0.00 C ATOM 930 O GLU A 63 -2.022 1.377 6.219 1.00 0.00 O ATOM 931 CB GLU A 63 0.732 1.044 7.452 1.00 0.00 C ATOM 932 CG GLU A 63 2.229 0.876 7.647 1.00 0.00 C ATOM 933 CD GLU A 63 2.568 -0.144 8.717 1.00 0.00 C ATOM 934 OE1 GLU A 63 1.987 -0.064 9.819 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.414 -1.023 8.451 1.00 0.00 O ATOM 0 H GLU A 63 -0.644 3.505 6.522 1.00 0.00 H new ATOM 0 HA GLU A 63 1.128 1.486 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.332 1.641 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.255 0.066 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.682 0.572 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.667 1.838 7.915 1.00 0.00 H new ATOM 942 N LEU A 64 -0.913 0.408 4.518 1.00 0.00 N ATOM 943 CA LEU A 64 -2.109 -0.186 3.932 1.00 0.00 C ATOM 944 C LEU A 64 -2.152 -1.690 4.186 1.00 0.00 C ATOM 945 O LEU A 64 -1.228 -2.416 3.822 1.00 0.00 O ATOM 946 CB LEU A 64 -2.156 0.089 2.428 1.00 0.00 C ATOM 947 CG LEU A 64 -3.035 -0.849 1.600 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.470 -0.819 2.105 1.00 0.00 C ATOM 949 CD2 LEU A 64 -2.979 -0.472 0.127 1.00 0.00 C ATOM 0 H LEU A 64 -0.051 0.207 4.011 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.979 0.269 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.506 1.110 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.139 0.040 2.038 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.653 -1.864 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.081 -1.492 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.496 -1.138 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.862 0.195 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.611 -1.150 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.335 0.550 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.951 -0.545 -0.229 1.00 0.00 H new ATOM 961 N GLN A 65 -3.231 -2.149 4.812 1.00 0.00 N ATOM 962 CA GLN A 65 -3.394 -3.566 5.114 1.00 0.00 C ATOM 963 C GLN A 65 -4.512 -4.176 4.275 1.00 0.00 C ATOM 964 O GLN A 65 -5.667 -3.758 4.365 1.00 0.00 O ATOM 965 CB GLN A 65 -3.691 -3.761 6.601 1.00 0.00 C ATOM 966 CG GLN A 65 -3.273 -5.124 7.131 1.00 0.00 C ATOM 967 CD GLN A 65 -3.685 -5.340 8.574 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.588 -4.674 9.081 1.00 0.00 O ATOM 969 NE2 GLN A 65 -3.022 -6.274 9.245 1.00 0.00 N ATOM 0 H GLN A 65 -4.005 -1.560 5.120 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.462 -4.074 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.178 -2.986 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.759 -3.626 6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.716 -5.903 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.191 -5.226 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.280 -6.803 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.254 -6.463 10.220 1.00 0.00 H new ATOM 978 N ILE A 66 -4.162 -5.165 3.460 1.00 0.00 N ATOM 979 CA ILE A 66 -5.136 -5.833 2.607 1.00 0.00 C ATOM 980 C ILE A 66 -5.120 -7.341 2.829 1.00 0.00 C ATOM 981 O ILE A 66 -4.211 -8.036 2.373 1.00 0.00 O ATOM 982 CB ILE A 66 -4.873 -5.542 1.117 1.00 0.00 C ATOM 983 CG1 ILE A 66 -5.005 -4.043 0.837 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.833 -6.336 0.245 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.873 -3.689 -0.628 1.00 0.00 C ATOM 0 H ILE A 66 -3.210 -5.521 3.373 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.115 -5.439 2.879 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.855 -5.849 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.973 -3.697 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.242 -3.507 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.635 -6.120 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.695 -7.402 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.859 -6.057 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.977 -2.611 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.895 -4.004 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.652 -4.197 -1.197 1.00 0.00 H new ATOM 997 N CYS A 67 -6.131 -7.841 3.530 1.00 0.00 N ATOM 998 CA CYS A 67 -6.234 -9.268 3.812 1.00 0.00 C ATOM 999 C CYS A 67 -6.825 -10.017 2.622 1.00 0.00 C ATOM 1000 O CYS A 67 -7.324 -9.406 1.677 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.094 -9.503 5.055 1.00 0.00 C ATOM 1002 SG CYS A 67 -6.830 -11.108 5.844 1.00 0.00 S ATOM 0 H CYS A 67 -6.891 -7.279 3.914 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.230 -9.649 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.888 -8.716 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.145 -9.415 4.779 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.600 -11.211 6.886 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.763 -11.344 2.674 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.294 -12.154 1.593 1.00 0.00 C ATOM 1010 C GLY A 68 -6.642 -11.842 0.261 1.00 0.00 C ATOM 1011 O GLY A 68 -7.317 -11.770 -0.767 1.00 0.00 O ATOM 0 H GLY A 68 -6.355 -11.872 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.148 -13.208 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.369 -11.991 1.515 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.327 -11.654 0.277 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.583 -11.346 -0.940 1.00 0.00 C ATOM 1017 C LEU A 69 -4.924 -12.333 -2.052 1.00 0.00 C ATOM 1018 O LEU A 69 -5.411 -13.433 -1.791 1.00 0.00 O ATOM 1019 CB LEU A 69 -3.079 -11.373 -0.662 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.487 -10.103 -0.050 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -1.002 -10.285 0.224 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.720 -8.910 -0.966 1.00 0.00 C ATOM 0 H LEU A 69 -4.754 -11.709 1.119 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.868 -10.346 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.868 -12.207 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.560 -11.577 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.990 -9.911 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.598 -9.371 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.859 -11.112 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.484 -10.502 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.292 -8.015 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.245 -9.093 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.791 -8.766 -1.111 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.664 -11.932 -3.292 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.940 -12.783 -4.443 1.00 0.00 C ATOM 1036 C ALA A 70 -3.964 -12.501 -5.580 1.00 0.00 C ATOM 1037 O ALA A 70 -3.728 -11.347 -5.937 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.373 -12.586 -4.914 1.00 0.00 C ATOM 0 H ALA A 70 -4.263 -11.024 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.810 -13.821 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.565 -13.228 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.060 -12.845 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.523 -11.544 -5.198 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.398 -13.563 -6.145 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.447 -13.429 -7.242 1.00 0.00 C ATOM 1046 C VAL A 71 -2.914 -12.385 -8.250 1.00 0.00 C ATOM 1047 O VAL A 71 -2.111 -11.819 -8.990 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.237 -14.771 -7.970 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.556 -14.550 -9.312 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.429 -15.725 -7.103 1.00 0.00 C ATOM 0 H VAL A 71 -3.582 -14.525 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.502 -13.109 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.212 -15.221 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.416 -15.509 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.177 -13.905 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.586 -14.078 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.290 -16.668 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.456 -15.284 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.961 -15.908 -6.170 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.219 -12.135 -8.273 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.794 -11.157 -9.188 1.00 0.00 C ATOM 1062 C ALA A 72 -4.572 -9.735 -8.682 1.00 0.00 C ATOM 1063 O ALA A 72 -4.297 -8.824 -9.463 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.279 -11.424 -9.383 1.00 0.00 C ATOM 0 H ALA A 72 -4.898 -12.597 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.290 -11.256 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.694 -10.686 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.418 -12.423 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.790 -11.355 -8.423 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.695 -9.553 -7.372 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.507 -8.242 -6.762 1.00 0.00 C ATOM 1072 C ASP A 73 -3.158 -7.648 -7.154 1.00 0.00 C ATOM 1073 O ASP A 73 -3.014 -6.431 -7.268 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.610 -8.345 -5.240 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.963 -8.856 -4.784 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.567 -9.669 -5.515 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.417 -8.443 -3.697 1.00 0.00 O ATOM 0 H ASP A 73 -4.924 -10.296 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.294 -7.582 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.830 -9.011 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.428 -7.365 -4.799 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.172 -8.515 -7.359 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.835 -8.077 -7.739 1.00 0.00 C ATOM 1084 C ALA A 74 -0.887 -7.125 -8.929 1.00 0.00 C ATOM 1085 O ALA A 74 -1.780 -7.215 -9.770 1.00 0.00 O ATOM 1086 CB ALA A 74 0.043 -9.277 -8.059 1.00 0.00 C ATOM 0 H ALA A 74 -2.274 -9.526 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.402 -7.539 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.039 -8.934 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.115 -9.919 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.395 -9.839 -8.884 1.00 0.00 H new ATOM 1092 N GLY A 75 0.076 -6.210 -8.992 1.00 0.00 N ATOM 1093 CA GLY A 75 0.121 -5.254 -10.083 1.00 0.00 C ATOM 1094 C GLY A 75 0.967 -4.040 -9.755 1.00 0.00 C ATOM 1095 O GLY A 75 2.175 -4.037 -9.990 1.00 0.00 O ATOM 0 H GLY A 75 0.826 -6.114 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.520 -5.741 -10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.893 -4.933 -10.323 1.00 0.00 H new ATOM 1099 N GLU A 76 0.332 -3.006 -9.214 1.00 0.00 N ATOM 1100 CA GLU A 76 1.035 -1.780 -8.856 1.00 0.00 C ATOM 1101 C GLU A 76 0.146 -0.867 -8.017 1.00 0.00 C ATOM 1102 O GLU A 76 -0.872 -0.365 -8.494 1.00 0.00 O ATOM 1103 CB GLU A 76 1.495 -1.043 -10.117 1.00 0.00 C ATOM 1104 CG GLU A 76 2.054 0.343 -9.842 1.00 0.00 C ATOM 1105 CD GLU A 76 2.497 1.054 -11.106 1.00 0.00 C ATOM 1106 OE1 GLU A 76 3.567 0.701 -11.642 1.00 0.00 O ATOM 1107 OE2 GLU A 76 1.771 1.964 -11.559 1.00 0.00 O ATOM 0 H GLU A 76 -0.668 -2.993 -9.014 1.00 0.00 H new ATOM 0 HA GLU A 76 1.908 -2.053 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.257 -1.640 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.654 -0.956 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.296 0.943 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.900 0.261 -9.160 1.00 0.00 H new ATOM 1114 N TYR A 77 0.538 -0.658 -6.765 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.225 0.192 -5.858 1.00 0.00 C ATOM 1116 C TYR A 77 0.376 1.592 -5.789 1.00 0.00 C ATOM 1117 O TYR A 77 1.592 1.763 -5.867 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.265 -0.427 -4.459 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.150 -1.649 -4.363 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -0.882 -2.787 -5.114 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.255 -1.666 -3.520 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.689 -3.905 -5.030 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.067 -2.780 -3.429 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.780 -3.897 -4.186 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.585 -5.009 -4.098 1.00 0.00 O ATOM 0 H TYR A 77 1.379 -1.065 -6.355 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.242 0.271 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.748 -0.698 -4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.616 0.322 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.028 -2.798 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.483 -0.793 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.467 -4.781 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.922 -2.776 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.308 -4.840 -3.459 1.00 0.00 H new ATOM 1135 N SER A 78 -0.487 2.592 -5.641 1.00 0.00 N ATOM 1136 CA SER A 78 -0.044 3.980 -5.564 1.00 0.00 C ATOM 1137 C SER A 78 -0.663 4.682 -4.360 1.00 0.00 C ATOM 1138 O SER A 78 -1.838 4.484 -4.048 1.00 0.00 O ATOM 1139 CB SER A 78 -0.411 4.726 -6.848 1.00 0.00 C ATOM 1140 OG SER A 78 -0.455 3.844 -7.956 1.00 0.00 O ATOM 0 H SER A 78 -1.497 2.467 -5.572 1.00 0.00 H new ATOM 0 HA SER A 78 1.040 3.984 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.380 5.211 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.318 5.514 -7.035 1.00 0.00 H new ATOM 0 HG SER A 78 -0.693 4.345 -8.764 1.00 0.00 H new ATOM 1146 N CYS A 79 0.136 5.502 -3.686 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.332 6.234 -2.515 1.00 0.00 C ATOM 1148 C CYS A 79 -0.412 7.730 -2.804 1.00 0.00 C ATOM 1149 O CYS A 79 0.610 8.400 -2.952 1.00 0.00 O ATOM 1150 CB CYS A 79 0.596 5.982 -1.326 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.215 6.116 0.285 1.00 0.00 S ATOM 0 H CYS A 79 1.111 5.676 -3.931 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.332 5.876 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.029 4.986 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.421 6.693 -1.366 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.558 4.932 0.698 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.634 8.247 -2.886 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.848 9.663 -3.159 1.00 0.00 C ATOM 1159 C VAL A 80 -1.962 10.461 -1.865 1.00 0.00 C ATOM 1160 O VAL A 80 -2.708 10.089 -0.958 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.119 9.887 -4.001 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.130 11.290 -4.588 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.221 8.840 -5.100 1.00 0.00 C ATOM 0 H VAL A 80 -2.491 7.706 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.982 10.011 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.988 9.784 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.035 11.430 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.107 12.022 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.256 11.425 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.124 9.013 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.349 8.909 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.263 7.847 -4.653 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.219 11.559 -1.786 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.236 12.411 -0.602 1.00 0.00 C ATOM 1175 C CYS A 81 -1.751 13.805 -0.943 1.00 0.00 C ATOM 1176 O CYS A 81 -2.276 14.511 -0.084 1.00 0.00 O ATOM 1177 CB CYS A 81 0.164 12.504 0.004 1.00 0.00 C ATOM 1178 SG CYS A 81 0.255 13.516 1.500 1.00 0.00 S ATOM 0 H CYS A 81 -0.597 11.881 -2.528 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.910 11.964 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.515 11.499 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.845 12.915 -0.742 1.00 0.00 H new ATOM 0 HG CYS A 81 1.268 14.326 1.415 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.593 14.197 -2.204 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.045 15.507 -2.636 1.00 0.00 C ATOM 1186 C GLY A 82 -1.587 15.844 -4.041 1.00 0.00 C ATOM 1187 O GLY A 82 -2.208 15.430 -5.019 1.00 0.00 O ATOM 0 H GLY A 82 -1.160 13.631 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.134 15.545 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.672 16.263 -1.945 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.497 16.600 -4.140 1.00 0.00 N ATOM 1192 CA GLU A 83 0.042 16.994 -5.437 1.00 0.00 C ATOM 1193 C GLU A 83 1.015 15.944 -5.964 1.00 0.00 C ATOM 1194 O GLU A 83 1.276 15.873 -7.164 1.00 0.00 O ATOM 1195 CB GLU A 83 0.745 18.349 -5.330 1.00 0.00 C ATOM 1196 CG GLU A 83 -0.212 19.524 -5.212 1.00 0.00 C ATOM 1197 CD GLU A 83 -1.548 19.258 -5.877 1.00 0.00 C ATOM 1198 OE1 GLU A 83 -1.597 19.236 -7.125 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -2.546 19.070 -5.149 1.00 0.00 O ATOM 0 H GLU A 83 0.029 16.951 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.789 17.077 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.404 18.339 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.376 18.492 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.374 19.751 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.244 20.406 -5.662 1.00 0.00 H new ATOM 1206 N GLU A 84 1.548 15.131 -5.057 1.00 0.00 N ATOM 1207 CA GLU A 84 2.493 14.086 -5.431 1.00 0.00 C ATOM 1208 C GLU A 84 1.945 12.706 -5.078 1.00 0.00 C ATOM 1209 O GLU A 84 1.143 12.562 -4.155 1.00 0.00 O ATOM 1210 CB GLU A 84 3.836 14.308 -4.732 1.00 0.00 C ATOM 1211 CG GLU A 84 3.706 14.636 -3.254 1.00 0.00 C ATOM 1212 CD GLU A 84 3.145 16.024 -3.012 1.00 0.00 C ATOM 1213 OE1 GLU A 84 3.697 16.993 -3.573 1.00 0.00 O ATOM 1214 OE2 GLU A 84 2.154 16.140 -2.260 1.00 0.00 O ATOM 0 H GLU A 84 1.341 15.176 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 84 2.641 14.134 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.447 13.412 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.366 15.120 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.060 13.899 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.684 14.556 -2.780 1.00 0.00 H new ATOM 1221 N ARG A 85 2.385 11.694 -5.819 1.00 0.00 N ATOM 1222 CA ARG A 85 1.938 10.326 -5.586 1.00 0.00 C ATOM 1223 C ARG A 85 3.045 9.329 -5.916 1.00 0.00 C ATOM 1224 O ARG A 85 3.778 9.498 -6.892 1.00 0.00 O ATOM 1225 CB ARG A 85 0.696 10.022 -6.426 1.00 0.00 C ATOM 1226 CG ARG A 85 0.136 8.627 -6.203 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.631 8.133 -7.419 1.00 0.00 C ATOM 1228 NE ARG A 85 0.227 8.008 -8.594 1.00 0.00 N ATOM 1229 CZ ARG A 85 0.370 8.964 -9.505 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -0.285 10.110 -9.377 1.00 0.00 N ATOM 1231 NH2 ARG A 85 1.170 8.775 -10.547 1.00 0.00 N ATOM 0 H ARG A 85 3.050 11.796 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 85 1.687 10.228 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.077 10.756 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.943 10.141 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.951 7.938 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.522 8.633 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.082 7.166 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.447 8.822 -7.638 1.00 0.00 H new ATOM 0 HE ARG A 85 0.745 7.139 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.901 10.259 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.173 10.842 -10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.676 7.895 -10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.279 9.510 -11.246 1.00 0.00 H new ATOM 1245 N THR A 86 3.162 8.289 -5.097 1.00 0.00 N ATOM 1246 CA THR A 86 4.180 7.266 -5.300 1.00 0.00 C ATOM 1247 C THR A 86 3.548 5.927 -5.664 1.00 0.00 C ATOM 1248 O THR A 86 2.346 5.729 -5.491 1.00 0.00 O ATOM 1249 CB THR A 86 5.053 7.084 -4.044 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.175 6.248 -4.344 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.246 6.471 -2.909 1.00 0.00 C ATOM 0 H THR A 86 2.564 8.133 -4.286 1.00 0.00 H new ATOM 0 HA THR A 86 4.808 7.605 -6.124 1.00 0.00 H new ATOM 0 HB THR A 86 5.407 8.066 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.998 5.337 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.883 6.352 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.409 7.125 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.867 5.497 -3.217 1.00 0.00 H new ATOM 1259 N SER A 87 4.367 5.009 -6.169 1.00 0.00 N ATOM 1260 CA SER A 87 3.887 3.689 -6.560 1.00 0.00 C ATOM 1261 C SER A 87 4.883 2.607 -6.153 1.00 0.00 C ATOM 1262 O SER A 87 6.066 2.880 -5.954 1.00 0.00 O ATOM 1263 CB SER A 87 3.649 3.637 -8.070 1.00 0.00 C ATOM 1264 OG SER A 87 4.747 4.185 -8.779 1.00 0.00 O ATOM 0 H SER A 87 5.366 5.156 -6.317 1.00 0.00 H new ATOM 0 HA SER A 87 2.945 3.504 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.490 2.604 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.741 4.187 -8.317 1.00 0.00 H new ATOM 0 HG SER A 87 4.571 4.138 -9.742 1.00 0.00 H new ATOM 1270 N ALA A 88 4.394 1.377 -6.032 1.00 0.00 N ATOM 1271 CA ALA A 88 5.239 0.253 -5.651 1.00 0.00 C ATOM 1272 C ALA A 88 4.641 -1.068 -6.122 1.00 0.00 C ATOM 1273 O ALA A 88 3.585 -1.488 -5.648 1.00 0.00 O ATOM 1274 CB ALA A 88 5.444 0.233 -4.143 1.00 0.00 C ATOM 0 H ALA A 88 3.416 1.134 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 88 6.207 0.378 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.077 -0.612 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.923 1.160 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.479 0.136 -3.646 1.00 0.00 H new ATOM 1280 N THR A 89 5.322 -1.721 -7.059 1.00 0.00 N ATOM 1281 CA THR A 89 4.857 -2.993 -7.596 1.00 0.00 C ATOM 1282 C THR A 89 4.607 -4.002 -6.481 1.00 0.00 C ATOM 1283 O THR A 89 5.310 -4.012 -5.470 1.00 0.00 O ATOM 1284 CB THR A 89 5.872 -3.587 -8.592 1.00 0.00 C ATOM 1285 OG1 THR A 89 6.188 -2.623 -9.602 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.319 -4.847 -9.240 1.00 0.00 C ATOM 0 H THR A 89 6.198 -1.389 -7.462 1.00 0.00 H new ATOM 0 HA THR A 89 3.921 -2.793 -8.118 1.00 0.00 H new ATOM 0 HB THR A 89 6.777 -3.847 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.835 -3.007 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.053 -5.249 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.107 -5.589 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.400 -4.608 -9.776 1.00 0.00 H new ATOM 1294 N LEU A 90 3.602 -4.849 -6.671 1.00 0.00 N ATOM 1295 CA LEU A 90 3.258 -5.864 -5.680 1.00 0.00 C ATOM 1296 C LEU A 90 3.166 -7.244 -6.324 1.00 0.00 C ATOM 1297 O LEU A 90 2.260 -7.514 -7.113 1.00 0.00 O ATOM 1298 CB LEU A 90 1.933 -5.515 -5.002 1.00 0.00 C ATOM 1299 CG LEU A 90 1.354 -6.580 -4.070 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.252 -6.774 -2.858 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.055 -6.202 -3.637 1.00 0.00 C ATOM 0 H LEU A 90 3.011 -4.854 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 90 4.048 -5.886 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.071 -4.597 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.197 -5.300 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 90 1.304 -7.523 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.824 -7.536 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.242 -7.092 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.335 -5.834 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.451 -6.972 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.030 -5.248 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.695 -6.116 -4.515 1.00 0.00 H new ATOM 1313 N THR A 91 4.109 -8.116 -5.980 1.00 0.00 N ATOM 1314 CA THR A 91 4.133 -9.468 -6.523 1.00 0.00 C ATOM 1315 C THR A 91 3.460 -10.454 -5.574 1.00 0.00 C ATOM 1316 O THR A 91 3.809 -10.533 -4.396 1.00 0.00 O ATOM 1317 CB THR A 91 5.575 -9.938 -6.795 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.201 -9.070 -7.746 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.588 -11.366 -7.318 1.00 0.00 C ATOM 0 H THR A 91 4.866 -7.910 -5.328 1.00 0.00 H new ATOM 0 HA THR A 91 3.583 -9.441 -7.464 1.00 0.00 H new ATOM 0 HB THR A 91 6.128 -9.907 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.118 -9.374 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.616 -11.676 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.136 -12.028 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.021 -11.418 -8.247 1.00 0.00 H new ATOM 1327 N VAL A 92 2.494 -11.204 -6.095 1.00 0.00 N ATOM 1328 CA VAL A 92 1.773 -12.186 -5.294 1.00 0.00 C ATOM 1329 C VAL A 92 2.131 -13.607 -5.715 1.00 0.00 C ATOM 1330 O VAL A 92 2.293 -13.893 -6.902 1.00 0.00 O ATOM 1331 CB VAL A 92 0.249 -11.996 -5.411 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.486 -13.124 -4.703 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.163 -10.644 -4.848 1.00 0.00 C ATOM 0 H VAL A 92 2.193 -11.150 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 92 2.072 -12.031 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.024 -12.024 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.561 -12.973 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.213 -14.077 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.211 -13.132 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.243 -10.526 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.122 -10.585 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.337 -9.851 -5.404 1.00 0.00 H new ATOM 1343 N LYS A 93 2.251 -14.496 -4.735 1.00 0.00 N ATOM 1344 CA LYS A 93 2.587 -15.889 -5.002 1.00 0.00 C ATOM 1345 C LYS A 93 1.385 -16.796 -4.758 1.00 0.00 C ATOM 1346 O LYS A 93 0.293 -16.323 -4.443 1.00 0.00 O ATOM 1347 CB LYS A 93 3.759 -16.330 -4.123 1.00 0.00 C ATOM 1348 CG LYS A 93 4.712 -15.202 -3.768 1.00 0.00 C ATOM 1349 CD LYS A 93 5.224 -14.493 -5.010 1.00 0.00 C ATOM 1350 CE LYS A 93 6.152 -15.387 -5.819 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.857 -14.630 -6.890 1.00 0.00 N ATOM 0 H LYS A 93 2.120 -14.276 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 93 2.875 -15.972 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.368 -16.767 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.314 -17.114 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.205 -14.485 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.554 -15.600 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.381 -14.187 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.753 -13.585 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.885 -15.845 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.577 -16.198 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.746 -15.114 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.252 -14.579 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.066 -13.668 -6.555 1.00 0.00 H new ATOM 1365 N ALA A 94 1.594 -18.100 -4.903 1.00 0.00 N ATOM 1366 CA ALA A 94 0.528 -19.072 -4.694 1.00 0.00 C ATOM 1367 C ALA A 94 0.748 -19.860 -3.407 1.00 0.00 C ATOM 1368 O ALA A 94 1.586 -20.761 -3.354 1.00 0.00 O ATOM 1369 CB ALA A 94 0.435 -20.017 -5.884 1.00 0.00 C ATOM 0 H ALA A 94 2.492 -18.508 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.412 -18.529 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.365 -20.738 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.223 -19.445 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.381 -20.546 -6.003 1.00 0.00 H new ATOM 1375 N LEU A 95 -0.009 -19.515 -2.371 1.00 0.00 N ATOM 1376 CA LEU A 95 0.104 -20.190 -1.083 1.00 0.00 C ATOM 1377 C LEU A 95 -0.103 -21.693 -1.236 1.00 0.00 C ATOM 1378 O LEU A 95 -0.916 -22.155 -2.037 1.00 0.00 O ATOM 1379 CB LEU A 95 -0.917 -19.621 -0.096 1.00 0.00 C ATOM 1380 CG LEU A 95 -2.336 -20.182 -0.200 1.00 0.00 C ATOM 1381 CD1 LEU A 95 -2.418 -21.549 0.462 1.00 0.00 C ATOM 1382 CD2 LEU A 95 -3.336 -19.223 0.428 1.00 0.00 C ATOM 0 H LEU A 95 -0.707 -18.772 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 95 1.109 -20.018 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.552 -19.797 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.964 -18.541 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.585 -20.295 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.435 -21.933 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.729 -22.234 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.149 -21.460 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.340 -19.639 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.089 -19.078 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.296 -18.265 -0.090 1.00 0.00 H new ATOM 1394 N PRO A 96 0.648 -22.477 -0.448 1.00 0.00 N ATOM 1395 CA PRO A 96 0.563 -23.940 -0.476 1.00 0.00 C ATOM 1396 C PRO A 96 -0.752 -24.456 0.099 1.00 0.00 C ATOM 1397 O PRO A 96 -0.946 -24.469 1.315 1.00 0.00 O ATOM 1398 CB PRO A 96 1.739 -24.380 0.401 1.00 0.00 C ATOM 1399 CG PRO A 96 1.979 -23.231 1.317 1.00 0.00 C ATOM 1400 CD PRO A 96 1.638 -21.995 0.530 1.00 0.00 C ATOM 0 HA PRO A 96 0.601 -24.331 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.501 -25.287 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.622 -24.598 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.359 -23.308 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.017 -23.208 1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.225 -21.213 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.516 -21.576 0.040 1.00 0.00 H new ATOM 1408 N SER A 97 -1.652 -24.879 -0.782 1.00 0.00 N ATOM 1409 CA SER A 97 -2.951 -25.393 -0.362 1.00 0.00 C ATOM 1410 C SER A 97 -3.097 -26.866 -0.728 1.00 0.00 C ATOM 1411 O SER A 97 -3.443 -27.695 0.112 1.00 0.00 O ATOM 1412 CB SER A 97 -4.076 -24.581 -1.006 1.00 0.00 C ATOM 1413 OG SER A 97 -5.245 -24.605 -0.205 1.00 0.00 O ATOM 0 H SER A 97 -1.506 -24.876 -1.792 1.00 0.00 H new ATOM 0 HA SER A 97 -3.019 -25.298 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.750 -23.551 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.300 -24.984 -1.994 1.00 0.00 H new ATOM 0 HG SER A 97 -5.949 -24.078 -0.637 1.00 0.00 H new ATOM 1419 N GLY A 98 -2.829 -27.185 -1.991 1.00 0.00 N ATOM 1420 CA GLY A 98 -2.936 -28.558 -2.448 1.00 0.00 C ATOM 1421 C GLY A 98 -1.698 -29.373 -2.131 1.00 0.00 C ATOM 1422 O GLY A 98 -1.515 -29.855 -1.013 1.00 0.00 O ATOM 0 H GLY A 98 -2.540 -26.517 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.804 -29.026 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.107 -28.567 -3.524 1.00 0.00 H new ATOM 1426 N PRO A 99 -0.821 -29.538 -3.133 1.00 0.00 N ATOM 1427 CA PRO A 99 0.421 -30.302 -2.979 1.00 0.00 C ATOM 1428 C PRO A 99 1.430 -29.593 -2.082 1.00 0.00 C ATOM 1429 O PRO A 99 1.928 -28.519 -2.420 1.00 0.00 O ATOM 1430 CB PRO A 99 0.955 -30.401 -4.410 1.00 0.00 C ATOM 1431 CG PRO A 99 0.375 -29.223 -5.114 1.00 0.00 C ATOM 1432 CD PRO A 99 -0.975 -28.992 -4.491 1.00 0.00 C ATOM 0 HA PRO A 99 0.249 -31.268 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.045 -30.376 -4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.650 -31.334 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.013 -28.347 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.284 -29.413 -6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -1.233 -27.933 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.765 -29.502 -5.042 1.00 0.00 H new ATOM 1440 N SER A 100 1.727 -30.201 -0.938 1.00 0.00 N ATOM 1441 CA SER A 100 2.674 -29.626 0.010 1.00 0.00 C ATOM 1442 C SER A 100 4.069 -30.209 -0.196 1.00 0.00 C ATOM 1443 O SER A 100 4.219 -31.347 -0.640 1.00 0.00 O ATOM 1444 CB SER A 100 2.210 -29.879 1.445 1.00 0.00 C ATOM 1445 OG SER A 100 1.364 -28.837 1.899 1.00 0.00 O ATOM 0 H SER A 100 1.325 -31.092 -0.645 1.00 0.00 H new ATOM 0 HA SER A 100 2.718 -28.551 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.680 -30.830 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.076 -29.960 2.102 1.00 0.00 H new ATOM 0 HG SER A 100 1.080 -29.023 2.818 1.00 0.00 H new ATOM 1451 N SER A 101 5.087 -29.419 0.131 1.00 0.00 N ATOM 1452 CA SER A 101 6.471 -29.854 -0.020 1.00 0.00 C ATOM 1453 C SER A 101 6.799 -30.976 0.960 1.00 0.00 C ATOM 1454 O SER A 101 6.494 -30.885 2.149 1.00 0.00 O ATOM 1455 CB SER A 101 7.424 -28.677 0.196 1.00 0.00 C ATOM 1456 OG SER A 101 7.571 -27.915 -0.989 1.00 0.00 O ATOM 0 H SER A 101 4.980 -28.475 0.502 1.00 0.00 H new ATOM 0 HA SER A 101 6.598 -30.234 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.046 -28.041 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.398 -29.048 0.517 1.00 0.00 H new ATOM 0 HG SER A 101 8.184 -27.168 -0.824 1.00 0.00 H new ATOM 1462 N GLY A 102 7.422 -32.035 0.452 1.00 0.00 N ATOM 1463 CA GLY A 102 7.781 -33.160 1.296 1.00 0.00 C ATOM 1464 C GLY A 102 9.193 -33.052 1.836 1.00 0.00 C ATOM 1465 O GLY A 102 9.522 -32.103 2.548 1.00 0.00 O ATOM 0 H GLY A 102 7.684 -32.134 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.081 -33.224 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.683 -34.084 0.726 1.00 0.00 H new TER 1469 GLY A 102