USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 59 LYS NZ :NH3+ -118:sc= -0.271 (180deg=-0.858) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot -5:sc= 0.879 USER MOD Set 3.2: A 41 ASN : amide:sc= 0.669 K(o=1.5,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 32:sc= 0.587 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.000496 X(o=-0.0005,f=-0.2) USER MOD Single : A 15 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0134 (180deg=-0.15) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -0.0899 (180deg=-0.523) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 49 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 102:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.183 35.697 -7.691 1.00 0.00 N ATOM 2 CA GLY A 1 -27.370 36.103 -8.419 1.00 0.00 C ATOM 3 C GLY A 1 -28.645 35.574 -7.791 1.00 0.00 C ATOM 4 O GLY A 1 -29.129 36.120 -6.799 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.339 36.084 -8.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.233 36.057 -6.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.124 34.659 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.413 37.191 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.301 35.748 -9.447 1.00 0.00 H new ATOM 8 N SER A 2 -29.191 34.510 -8.371 1.00 0.00 N ATOM 9 CA SER A 2 -30.421 33.911 -7.865 1.00 0.00 C ATOM 10 C SER A 2 -30.729 32.607 -8.594 1.00 0.00 C ATOM 11 O SER A 2 -30.506 32.488 -9.799 1.00 0.00 O ATOM 12 CB SER A 2 -31.590 34.885 -8.022 1.00 0.00 C ATOM 13 OG SER A 2 -32.794 34.320 -7.532 1.00 0.00 O ATOM 0 H SER A 2 -28.802 34.045 -9.191 1.00 0.00 H new ATOM 0 HA SER A 2 -30.281 33.691 -6.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.373 35.808 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.709 35.148 -9.073 1.00 0.00 H new ATOM 0 HG SER A 2 -33.526 34.963 -7.642 1.00 0.00 H new ATOM 19 N SER A 3 -31.244 31.630 -7.854 1.00 0.00 N ATOM 20 CA SER A 3 -31.580 30.332 -8.428 1.00 0.00 C ATOM 21 C SER A 3 -32.527 29.562 -7.512 1.00 0.00 C ATOM 22 O SER A 3 -32.754 29.951 -6.367 1.00 0.00 O ATOM 23 CB SER A 3 -30.311 29.514 -8.672 1.00 0.00 C ATOM 24 OG SER A 3 -30.538 28.492 -9.626 1.00 0.00 O ATOM 0 H SER A 3 -31.438 31.713 -6.856 1.00 0.00 H new ATOM 0 HA SER A 3 -32.082 30.503 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.513 30.170 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.974 29.072 -7.734 1.00 0.00 H new ATOM 0 HG SER A 3 -29.711 27.985 -9.765 1.00 0.00 H new ATOM 30 N GLY A 4 -33.077 28.466 -8.026 1.00 0.00 N ATOM 31 CA GLY A 4 -33.992 27.658 -7.242 1.00 0.00 C ATOM 32 C GLY A 4 -33.452 26.269 -6.969 1.00 0.00 C ATOM 33 O GLY A 4 -32.239 26.068 -6.909 1.00 0.00 O ATOM 0 H GLY A 4 -32.905 28.124 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.193 28.159 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.943 27.578 -7.769 1.00 0.00 H new ATOM 37 N SER A 5 -34.353 25.306 -6.803 1.00 0.00 N ATOM 38 CA SER A 5 -33.960 23.929 -6.529 1.00 0.00 C ATOM 39 C SER A 5 -35.116 22.970 -6.798 1.00 0.00 C ATOM 40 O SER A 5 -36.147 23.020 -6.127 1.00 0.00 O ATOM 41 CB SER A 5 -33.493 23.788 -5.079 1.00 0.00 C ATOM 42 OG SER A 5 -34.523 24.145 -4.174 1.00 0.00 O ATOM 0 H SER A 5 -35.361 25.454 -6.854 1.00 0.00 H new ATOM 0 HA SER A 5 -33.136 23.674 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.181 22.760 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.622 24.421 -4.911 1.00 0.00 H new ATOM 0 HG SER A 5 -35.394 23.925 -4.566 1.00 0.00 H new ATOM 48 N SER A 6 -34.935 22.098 -7.785 1.00 0.00 N ATOM 49 CA SER A 6 -35.964 21.130 -8.146 1.00 0.00 C ATOM 50 C SER A 6 -35.383 20.021 -9.019 1.00 0.00 C ATOM 51 O SER A 6 -34.594 20.279 -9.926 1.00 0.00 O ATOM 52 CB SER A 6 -37.112 21.824 -8.881 1.00 0.00 C ATOM 53 OG SER A 6 -38.253 20.986 -8.952 1.00 0.00 O ATOM 0 H SER A 6 -34.086 22.042 -8.348 1.00 0.00 H new ATOM 0 HA SER A 6 -36.347 20.684 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.369 22.751 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.793 22.095 -9.887 1.00 0.00 H new ATOM 0 HG SER A 6 -38.973 21.453 -9.425 1.00 0.00 H new ATOM 59 N GLY A 7 -35.781 18.784 -8.735 1.00 0.00 N ATOM 60 CA GLY A 7 -35.290 17.654 -9.502 1.00 0.00 C ATOM 61 C GLY A 7 -34.934 16.470 -8.625 1.00 0.00 C ATOM 62 O GLY A 7 -34.950 16.570 -7.399 1.00 0.00 O ATOM 0 H GLY A 7 -36.434 18.545 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -36.048 17.352 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.411 17.959 -10.070 1.00 0.00 H new ATOM 66 N MET A 8 -34.613 15.344 -9.255 1.00 0.00 N ATOM 67 CA MET A 8 -34.252 14.136 -8.524 1.00 0.00 C ATOM 68 C MET A 8 -33.309 13.263 -9.347 1.00 0.00 C ATOM 69 O MET A 8 -33.019 13.567 -10.503 1.00 0.00 O ATOM 70 CB MET A 8 -35.507 13.343 -8.154 1.00 0.00 C ATOM 71 CG MET A 8 -36.131 13.772 -6.836 1.00 0.00 C ATOM 72 SD MET A 8 -35.078 13.409 -5.418 1.00 0.00 S ATOM 73 CE MET A 8 -36.307 13.149 -4.141 1.00 0.00 C ATOM 0 H MET A 8 -34.596 15.244 -10.270 1.00 0.00 H new ATOM 0 HA MET A 8 -33.738 14.435 -7.611 1.00 0.00 H new ATOM 0 HB2 MET A 8 -36.244 13.454 -8.949 1.00 0.00 H new ATOM 0 HB3 MET A 8 -35.255 12.284 -8.099 1.00 0.00 H new ATOM 0 HG2 MET A 8 -36.336 14.842 -6.867 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.089 13.267 -6.711 1.00 0.00 H new ATOM 0 HE1 MET A 8 -35.810 12.914 -3.200 1.00 0.00 H new ATOM 0 HE2 MET A 8 -36.903 14.053 -4.021 1.00 0.00 H new ATOM 0 HE3 MET A 8 -36.957 12.321 -4.424 1.00 0.00 H new ATOM 83 N ALA A 9 -32.835 12.179 -8.742 1.00 0.00 N ATOM 84 CA ALA A 9 -31.927 11.262 -9.420 1.00 0.00 C ATOM 85 C ALA A 9 -32.540 9.871 -9.540 1.00 0.00 C ATOM 86 O ALA A 9 -33.222 9.402 -8.629 1.00 0.00 O ATOM 87 CB ALA A 9 -30.598 11.194 -8.683 1.00 0.00 C ATOM 0 H ALA A 9 -33.065 11.914 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 9 -31.752 11.641 -10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -29.930 10.506 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -30.146 12.186 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -30.764 10.842 -7.665 1.00 0.00 H new ATOM 93 N SER A 10 -32.292 9.215 -10.669 1.00 0.00 N ATOM 94 CA SER A 10 -32.824 7.879 -10.910 1.00 0.00 C ATOM 95 C SER A 10 -31.744 6.957 -11.469 1.00 0.00 C ATOM 96 O SER A 10 -30.918 7.371 -12.281 1.00 0.00 O ATOM 97 CB SER A 10 -34.006 7.944 -11.879 1.00 0.00 C ATOM 98 OG SER A 10 -33.566 8.176 -13.205 1.00 0.00 O ATOM 0 H SER A 10 -31.726 9.587 -11.431 1.00 0.00 H new ATOM 0 HA SER A 10 -33.166 7.474 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 10 -34.567 7.010 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 10 -34.687 8.739 -11.574 1.00 0.00 H new ATOM 0 HG SER A 10 -34.340 8.212 -13.805 1.00 0.00 H new ATOM 104 N GLY A 11 -31.758 5.703 -11.027 1.00 0.00 N ATOM 105 CA GLY A 11 -30.776 4.741 -11.493 1.00 0.00 C ATOM 106 C GLY A 11 -30.715 3.505 -10.619 1.00 0.00 C ATOM 107 O GLY A 11 -30.172 3.543 -9.515 1.00 0.00 O ATOM 0 H GLY A 11 -32.432 5.336 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.016 4.448 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -29.794 5.213 -11.519 1.00 0.00 H new ATOM 111 N GLN A 12 -31.276 2.405 -11.112 1.00 0.00 N ATOM 112 CA GLN A 12 -31.286 1.152 -10.367 1.00 0.00 C ATOM 113 C GLN A 12 -31.086 -0.038 -11.299 1.00 0.00 C ATOM 114 O GLN A 12 -31.364 0.045 -12.496 1.00 0.00 O ATOM 115 CB GLN A 12 -32.601 1.000 -9.601 1.00 0.00 C ATOM 116 CG GLN A 12 -33.793 0.693 -10.493 1.00 0.00 C ATOM 117 CD GLN A 12 -34.886 -0.065 -9.766 1.00 0.00 C ATOM 118 OE1 GLN A 12 -34.635 -1.099 -9.147 1.00 0.00 O ATOM 119 NE2 GLN A 12 -36.109 0.447 -9.837 1.00 0.00 N ATOM 0 H GLN A 12 -31.729 2.357 -12.024 1.00 0.00 H new ATOM 0 HA GLN A 12 -30.460 1.175 -9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -32.493 0.203 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -32.798 1.919 -9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -34.200 1.626 -10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -33.459 0.109 -11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -36.272 1.307 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -36.885 -0.019 -9.367 1.00 0.00 H new ATOM 128 N PHE A 13 -30.602 -1.144 -10.744 1.00 0.00 N ATOM 129 CA PHE A 13 -30.364 -2.351 -11.527 1.00 0.00 C ATOM 130 C PHE A 13 -31.679 -3.045 -11.869 1.00 0.00 C ATOM 131 O PHE A 13 -32.542 -3.224 -11.010 1.00 0.00 O ATOM 132 CB PHE A 13 -29.453 -3.311 -10.758 1.00 0.00 C ATOM 133 CG PHE A 13 -28.285 -2.632 -10.102 1.00 0.00 C ATOM 134 CD1 PHE A 13 -27.298 -2.029 -10.865 1.00 0.00 C ATOM 135 CD2 PHE A 13 -28.174 -2.597 -8.721 1.00 0.00 C ATOM 136 CE1 PHE A 13 -26.223 -1.403 -10.264 1.00 0.00 C ATOM 137 CE2 PHE A 13 -27.101 -1.973 -8.114 1.00 0.00 C ATOM 138 CZ PHE A 13 -26.123 -1.376 -8.886 1.00 0.00 C ATOM 0 H PHE A 13 -30.367 -1.230 -9.755 1.00 0.00 H new ATOM 0 HA PHE A 13 -29.874 -2.061 -12.456 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -30.040 -3.824 -9.996 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -29.082 -4.074 -11.442 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -27.370 -2.049 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -28.935 -3.063 -8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -25.462 -0.935 -10.871 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -27.027 -1.952 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 13 -25.282 -0.889 -8.414 1.00 0.00 H new ATOM 148 N VAL A 14 -31.824 -3.434 -13.132 1.00 0.00 N ATOM 149 CA VAL A 14 -33.033 -4.109 -13.590 1.00 0.00 C ATOM 150 C VAL A 14 -32.727 -5.529 -14.055 1.00 0.00 C ATOM 151 O VAL A 14 -32.407 -5.755 -15.221 1.00 0.00 O ATOM 152 CB VAL A 14 -33.705 -3.337 -14.741 1.00 0.00 C ATOM 153 CG1 VAL A 14 -34.944 -4.074 -15.226 1.00 0.00 C ATOM 154 CG2 VAL A 14 -34.053 -1.923 -14.303 1.00 0.00 C ATOM 0 H VAL A 14 -31.119 -3.293 -13.856 1.00 0.00 H new ATOM 0 HA VAL A 14 -33.715 -4.147 -12.741 1.00 0.00 H new ATOM 0 HB VAL A 14 -33.002 -3.272 -15.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -35.406 -3.514 -16.039 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -34.662 -5.065 -15.582 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -35.654 -4.172 -14.405 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -34.527 -1.393 -15.129 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -34.738 -1.963 -13.456 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -33.144 -1.399 -14.009 1.00 0.00 H new ATOM 164 N ASN A 15 -32.828 -6.481 -13.134 1.00 0.00 N ATOM 165 CA ASN A 15 -32.563 -7.880 -13.449 1.00 0.00 C ATOM 166 C ASN A 15 -31.294 -8.018 -14.285 1.00 0.00 C ATOM 167 O ASN A 15 -31.238 -8.814 -15.222 1.00 0.00 O ATOM 168 CB ASN A 15 -33.749 -8.490 -14.198 1.00 0.00 C ATOM 169 CG ASN A 15 -33.734 -10.007 -14.168 1.00 0.00 C ATOM 170 OD1 ASN A 15 -32.807 -10.619 -13.637 1.00 0.00 O ATOM 171 ND2 ASN A 15 -34.763 -10.620 -14.740 1.00 0.00 N ATOM 0 H ASN A 15 -33.091 -6.310 -12.164 1.00 0.00 H new ATOM 0 HA ASN A 15 -32.420 -8.417 -12.511 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -34.678 -8.130 -13.756 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -33.735 -8.150 -15.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -34.808 -11.639 -14.751 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -35.509 -10.072 -15.168 1.00 0.00 H new ATOM 178 N LYS A 16 -30.276 -7.237 -13.938 1.00 0.00 N ATOM 179 CA LYS A 16 -29.006 -7.272 -14.654 1.00 0.00 C ATOM 180 C LYS A 16 -27.879 -7.743 -13.741 1.00 0.00 C ATOM 181 O LYS A 16 -27.944 -7.578 -12.522 1.00 0.00 O ATOM 182 CB LYS A 16 -28.676 -5.887 -15.217 1.00 0.00 C ATOM 183 CG LYS A 16 -27.859 -5.929 -16.496 1.00 0.00 C ATOM 184 CD LYS A 16 -28.681 -6.443 -17.666 1.00 0.00 C ATOM 185 CE LYS A 16 -27.851 -6.518 -18.939 1.00 0.00 C ATOM 186 NZ LYS A 16 -26.759 -7.525 -18.831 1.00 0.00 N ATOM 0 H LYS A 16 -30.306 -6.572 -13.165 1.00 0.00 H new ATOM 0 HA LYS A 16 -29.102 -7.979 -15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.606 -5.351 -15.407 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.129 -5.319 -14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.486 -4.930 -16.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.989 -6.570 -16.352 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -29.076 -7.431 -17.429 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.537 -5.788 -17.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.497 -6.772 -19.779 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.422 -5.539 -19.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -26.359 -7.706 -19.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -26.013 -7.163 -18.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.140 -8.410 -18.441 1.00 0.00 H new ATOM 200 N LEU A 17 -26.847 -8.328 -14.337 1.00 0.00 N ATOM 201 CA LEU A 17 -25.704 -8.822 -13.576 1.00 0.00 C ATOM 202 C LEU A 17 -24.589 -7.782 -13.531 1.00 0.00 C ATOM 203 O LEU A 17 -24.480 -6.938 -14.420 1.00 0.00 O ATOM 204 CB LEU A 17 -25.180 -10.121 -14.191 1.00 0.00 C ATOM 205 CG LEU A 17 -24.636 -10.018 -15.616 1.00 0.00 C ATOM 206 CD1 LEU A 17 -23.171 -9.608 -15.600 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.814 -11.337 -16.353 1.00 0.00 C ATOM 0 H LEU A 17 -26.777 -8.472 -15.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.035 -9.017 -12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.390 -10.510 -13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.987 -10.854 -14.184 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.202 -9.251 -16.145 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.801 -9.540 -16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -23.070 -8.639 -15.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.591 -10.352 -15.053 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.421 -11.244 -17.365 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.275 -12.124 -15.825 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.874 -11.589 -16.397 1.00 0.00 H new ATOM 219 N GLN A 18 -23.764 -7.851 -12.492 1.00 0.00 N ATOM 220 CA GLN A 18 -22.657 -6.915 -12.333 1.00 0.00 C ATOM 221 C GLN A 18 -21.367 -7.652 -11.988 1.00 0.00 C ATOM 222 O GLN A 18 -21.131 -8.001 -10.832 1.00 0.00 O ATOM 223 CB GLN A 18 -22.979 -5.891 -11.243 1.00 0.00 C ATOM 224 CG GLN A 18 -23.842 -4.738 -11.729 1.00 0.00 C ATOM 225 CD GLN A 18 -23.030 -3.631 -12.373 1.00 0.00 C ATOM 226 OE1 GLN A 18 -22.778 -3.651 -13.578 1.00 0.00 O ATOM 227 NE2 GLN A 18 -22.614 -2.658 -11.570 1.00 0.00 N ATOM 0 H GLN A 18 -23.841 -8.545 -11.748 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.516 -6.395 -13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.489 -6.395 -10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -22.047 -5.493 -10.843 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -24.571 -5.113 -12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -24.403 -4.330 -10.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.846 -2.682 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.062 -1.887 -11.946 1.00 0.00 H new ATOM 236 N GLU A 19 -20.536 -7.885 -12.999 1.00 0.00 N ATOM 237 CA GLU A 19 -19.270 -8.582 -12.802 1.00 0.00 C ATOM 238 C GLU A 19 -18.147 -7.595 -12.497 1.00 0.00 C ATOM 239 O GLU A 19 -17.060 -7.682 -13.067 1.00 0.00 O ATOM 240 CB GLU A 19 -18.917 -9.406 -14.042 1.00 0.00 C ATOM 241 CG GLU A 19 -19.518 -10.802 -14.037 1.00 0.00 C ATOM 242 CD GLU A 19 -19.438 -11.476 -15.393 1.00 0.00 C ATOM 243 OE1 GLU A 19 -19.693 -10.796 -16.409 1.00 0.00 O ATOM 244 OE2 GLU A 19 -19.122 -12.683 -15.438 1.00 0.00 O ATOM 0 H GLU A 19 -20.716 -7.602 -13.962 1.00 0.00 H new ATOM 0 HA GLU A 19 -19.383 -9.252 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.260 -8.875 -14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.833 -9.487 -14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.999 -11.414 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -20.561 -10.744 -13.725 1.00 0.00 H new ATOM 251 N GLU A 20 -18.420 -6.657 -11.596 1.00 0.00 N ATOM 252 CA GLU A 20 -17.434 -5.652 -11.217 1.00 0.00 C ATOM 253 C GLU A 20 -16.949 -5.878 -9.788 1.00 0.00 C ATOM 254 O GLU A 20 -17.705 -6.329 -8.928 1.00 0.00 O ATOM 255 CB GLU A 20 -18.026 -4.248 -11.351 1.00 0.00 C ATOM 256 CG GLU A 20 -18.537 -3.933 -12.747 1.00 0.00 C ATOM 257 CD GLU A 20 -18.685 -2.444 -12.992 1.00 0.00 C ATOM 258 OE1 GLU A 20 -17.672 -1.795 -13.327 1.00 0.00 O ATOM 259 OE2 GLU A 20 -19.813 -1.928 -12.848 1.00 0.00 O ATOM 0 H GLU A 20 -19.315 -6.572 -11.115 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.582 -5.744 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.845 -4.139 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.267 -3.515 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.852 -4.352 -13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.501 -4.419 -12.895 1.00 0.00 H new ATOM 266 N VAL A 21 -15.682 -5.560 -9.542 1.00 0.00 N ATOM 267 CA VAL A 21 -15.095 -5.727 -8.218 1.00 0.00 C ATOM 268 C VAL A 21 -14.999 -4.393 -7.487 1.00 0.00 C ATOM 269 O VAL A 21 -15.023 -3.330 -8.108 1.00 0.00 O ATOM 270 CB VAL A 21 -13.692 -6.357 -8.301 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.749 -5.458 -9.086 1.00 0.00 C ATOM 272 CG2 VAL A 21 -13.146 -6.627 -6.907 1.00 0.00 C ATOM 0 H VAL A 21 -15.042 -5.185 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.753 -6.396 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.771 -7.309 -8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.763 -5.919 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.135 -5.320 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.673 -4.490 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.154 -7.072 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.081 -5.690 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.811 -7.313 -6.382 1.00 0.00 H new ATOM 282 N ILE A 22 -14.890 -4.455 -6.164 1.00 0.00 N ATOM 283 CA ILE A 22 -14.789 -3.251 -5.348 1.00 0.00 C ATOM 284 C ILE A 22 -13.397 -3.114 -4.742 1.00 0.00 C ATOM 285 O ILE A 22 -12.693 -4.105 -4.544 1.00 0.00 O ATOM 286 CB ILE A 22 -15.832 -3.249 -4.216 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.242 -3.394 -4.792 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.719 -1.974 -3.394 1.00 0.00 C ATOM 289 CD1 ILE A 22 -17.823 -2.095 -5.304 1.00 0.00 C ATOM 0 H ILE A 22 -14.869 -5.326 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.980 -2.405 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.638 -4.099 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.220 -4.118 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.900 -3.798 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.463 -1.987 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.722 -1.909 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.891 -1.110 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.824 -2.274 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.877 -1.374 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.187 -1.699 -6.096 1.00 0.00 H new ATOM 301 N CYS A 23 -13.005 -1.879 -4.447 1.00 0.00 N ATOM 302 CA CYS A 23 -11.697 -1.610 -3.861 1.00 0.00 C ATOM 303 C CYS A 23 -11.717 -1.847 -2.354 1.00 0.00 C ATOM 304 O CYS A 23 -12.508 -1.257 -1.618 1.00 0.00 O ATOM 305 CB CYS A 23 -11.270 -0.171 -4.156 1.00 0.00 C ATOM 306 SG CYS A 23 -9.562 0.216 -3.651 1.00 0.00 S ATOM 0 H CYS A 23 -13.575 -1.048 -4.604 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.978 -2.295 -4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.373 0.015 -5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.951 0.511 -3.647 1.00 0.00 H new ATOM 311 N PRO A 24 -10.827 -2.733 -1.883 1.00 0.00 N ATOM 312 CA PRO A 24 -10.721 -3.069 -0.460 1.00 0.00 C ATOM 313 C PRO A 24 -10.160 -1.917 0.367 1.00 0.00 C ATOM 314 O PRO A 24 -9.853 -2.081 1.548 1.00 0.00 O ATOM 315 CB PRO A 24 -9.756 -4.257 -0.447 1.00 0.00 C ATOM 316 CG PRO A 24 -8.941 -4.097 -1.684 1.00 0.00 C ATOM 317 CD PRO A 24 -9.854 -3.474 -2.704 1.00 0.00 C ATOM 0 HA PRO A 24 -11.693 -3.288 -0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.129 -4.248 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.295 -5.205 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.072 -3.465 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.567 -5.060 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.311 -2.812 -3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.341 -4.229 -3.321 1.00 0.00 H new ATOM 325 N ILE A 25 -10.029 -0.753 -0.260 1.00 0.00 N ATOM 326 CA ILE A 25 -9.507 0.426 0.420 1.00 0.00 C ATOM 327 C ILE A 25 -10.577 1.504 0.552 1.00 0.00 C ATOM 328 O ILE A 25 -10.937 1.904 1.659 1.00 0.00 O ATOM 329 CB ILE A 25 -8.292 1.012 -0.324 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.173 -0.027 -0.417 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.799 2.269 0.377 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.921 0.492 -1.090 1.00 0.00 C ATOM 0 H ILE A 25 -10.277 -0.601 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.195 0.105 1.414 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.598 1.279 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.921 -0.369 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.538 -0.894 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.940 2.672 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.597 3.012 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.507 2.025 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.170 -0.298 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.158 0.807 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.531 1.341 -0.528 1.00 0.00 H new ATOM 344 N CYS A 26 -11.084 1.969 -0.585 1.00 0.00 N ATOM 345 CA CYS A 26 -12.115 2.999 -0.598 1.00 0.00 C ATOM 346 C CYS A 26 -13.496 2.385 -0.809 1.00 0.00 C ATOM 347 O CYS A 26 -14.500 3.096 -0.879 1.00 0.00 O ATOM 348 CB CYS A 26 -11.827 4.024 -1.698 1.00 0.00 C ATOM 349 SG CYS A 26 -11.619 3.297 -3.355 1.00 0.00 S ATOM 0 H CYS A 26 -10.797 1.648 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.104 3.501 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.643 4.746 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.923 4.575 -1.439 1.00 0.00 H new ATOM 354 N LEU A 27 -13.539 1.061 -0.909 1.00 0.00 N ATOM 355 CA LEU A 27 -14.797 0.350 -1.111 1.00 0.00 C ATOM 356 C LEU A 27 -15.549 0.906 -2.316 1.00 0.00 C ATOM 357 O LEU A 27 -16.779 0.867 -2.364 1.00 0.00 O ATOM 358 CB LEU A 27 -15.669 0.450 0.141 1.00 0.00 C ATOM 359 CG LEU A 27 -15.037 -0.045 1.442 1.00 0.00 C ATOM 360 CD1 LEU A 27 -16.008 0.112 2.602 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.598 -1.495 1.303 1.00 0.00 C ATOM 0 H LEU A 27 -12.718 0.458 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.567 -0.698 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.959 1.492 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.585 -0.115 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.156 0.562 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.540 -0.246 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.272 1.163 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.909 -0.469 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.150 -1.831 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.463 -2.116 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.866 -1.578 0.500 1.00 0.00 H new ATOM 373 N ASP A 28 -14.803 1.421 -3.287 1.00 0.00 N ATOM 374 CA ASP A 28 -15.399 1.982 -4.493 1.00 0.00 C ATOM 375 C ASP A 28 -15.281 1.008 -5.661 1.00 0.00 C ATOM 376 O ASP A 28 -14.457 0.093 -5.639 1.00 0.00 O ATOM 377 CB ASP A 28 -14.728 3.309 -4.850 1.00 0.00 C ATOM 378 CG ASP A 28 -13.467 3.118 -5.670 1.00 0.00 C ATOM 379 OD1 ASP A 28 -12.910 2.000 -5.650 1.00 0.00 O ATOM 380 OD2 ASP A 28 -13.036 4.086 -6.331 1.00 0.00 O ATOM 0 H ASP A 28 -13.784 1.461 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.456 2.160 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.430 3.929 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.484 3.848 -3.934 1.00 0.00 H new ATOM 385 N ILE A 29 -16.111 1.210 -6.680 1.00 0.00 N ATOM 386 CA ILE A 29 -16.099 0.350 -7.856 1.00 0.00 C ATOM 387 C ILE A 29 -14.742 0.387 -8.551 1.00 0.00 C ATOM 388 O ILE A 29 -14.409 1.357 -9.234 1.00 0.00 O ATOM 389 CB ILE A 29 -17.191 0.758 -8.863 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.572 0.687 -8.208 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.136 -0.134 -10.094 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.647 1.413 -8.985 1.00 0.00 C ATOM 0 H ILE A 29 -16.800 1.962 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.298 -0.663 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.011 1.787 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.859 -0.359 -8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.512 1.110 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.914 0.167 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.160 -0.037 -10.570 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.295 -1.171 -9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.599 1.321 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.383 2.467 -9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.735 0.976 -9.979 1.00 0.00 H new ATOM 404 N LEU A 30 -13.964 -0.674 -8.374 1.00 0.00 N ATOM 405 CA LEU A 30 -12.642 -0.765 -8.986 1.00 0.00 C ATOM 406 C LEU A 30 -12.733 -0.621 -10.502 1.00 0.00 C ATOM 407 O LEU A 30 -13.037 -1.582 -11.208 1.00 0.00 O ATOM 408 CB LEU A 30 -11.983 -2.097 -8.628 1.00 0.00 C ATOM 409 CG LEU A 30 -11.159 -2.113 -7.340 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.034 -3.531 -6.803 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.783 -1.508 -7.579 1.00 0.00 C ATOM 0 H LEU A 30 -14.225 -1.484 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.032 0.051 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.762 -2.855 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.336 -2.393 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.675 -1.508 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.444 -3.522 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.027 -3.929 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.541 -4.159 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.211 -1.528 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.259 -2.085 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.892 -0.477 -7.916 1.00 0.00 H new ATOM 423 N GLN A 31 -12.466 0.585 -10.994 1.00 0.00 N ATOM 424 CA GLN A 31 -12.516 0.853 -12.426 1.00 0.00 C ATOM 425 C GLN A 31 -11.356 0.176 -13.148 1.00 0.00 C ATOM 426 O GLN A 31 -11.533 -0.411 -14.216 1.00 0.00 O ATOM 427 CB GLN A 31 -12.484 2.360 -12.686 1.00 0.00 C ATOM 428 CG GLN A 31 -11.206 3.032 -12.210 1.00 0.00 C ATOM 429 CD GLN A 31 -11.255 4.541 -12.343 1.00 0.00 C ATOM 430 OE1 GLN A 31 -12.211 5.183 -11.905 1.00 0.00 O ATOM 431 NE2 GLN A 31 -10.224 5.117 -12.949 1.00 0.00 N ATOM 0 H GLN A 31 -12.213 1.391 -10.422 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.449 0.444 -12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.602 2.539 -13.755 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.336 2.824 -12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.028 2.769 -11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.363 2.648 -12.784 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.453 4.547 -13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.203 6.130 -13.067 1.00 0.00 H new ATOM 440 N LYS A 32 -10.168 0.260 -12.558 1.00 0.00 N ATOM 441 CA LYS A 32 -8.978 -0.345 -13.144 1.00 0.00 C ATOM 442 C LYS A 32 -8.178 -1.102 -12.089 1.00 0.00 C ATOM 443 O LYS A 32 -7.357 -0.531 -11.370 1.00 0.00 O ATOM 444 CB LYS A 32 -8.101 0.729 -13.792 1.00 0.00 C ATOM 445 CG LYS A 32 -8.824 1.551 -14.845 1.00 0.00 C ATOM 446 CD LYS A 32 -8.189 2.921 -15.016 1.00 0.00 C ATOM 447 CE LYS A 32 -6.965 2.861 -15.916 1.00 0.00 C ATOM 448 NZ LYS A 32 -7.329 2.974 -17.355 1.00 0.00 N ATOM 0 H LYS A 32 -10.004 0.742 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.299 -1.053 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.726 1.397 -13.016 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.234 0.252 -14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.808 1.020 -15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.870 1.667 -14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.919 3.611 -15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.905 3.316 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.279 3.666 -15.651 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.436 1.923 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.467 2.929 -17.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.963 2.192 -17.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.811 3.880 -17.521 1.00 0.00 H new ATOM 462 N PRO A 33 -8.419 -2.418 -11.993 1.00 0.00 N ATOM 463 CA PRO A 33 -7.729 -3.281 -11.030 1.00 0.00 C ATOM 464 C PRO A 33 -6.257 -3.477 -11.378 1.00 0.00 C ATOM 465 O PRO A 33 -5.917 -3.820 -12.510 1.00 0.00 O ATOM 466 CB PRO A 33 -8.485 -4.607 -11.137 1.00 0.00 C ATOM 467 CG PRO A 33 -9.068 -4.601 -12.508 1.00 0.00 C ATOM 468 CD PRO A 33 -9.384 -3.164 -12.817 1.00 0.00 C ATOM 0 HA PRO A 33 -7.729 -2.854 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.817 -5.456 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.262 -4.682 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.365 -5.011 -13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.966 -5.217 -12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.261 -2.945 -13.878 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.413 -2.914 -12.557 1.00 0.00 H new ATOM 476 N VAL A 34 -5.387 -3.257 -10.397 1.00 0.00 N ATOM 477 CA VAL A 34 -3.952 -3.411 -10.599 1.00 0.00 C ATOM 478 C VAL A 34 -3.370 -4.446 -9.642 1.00 0.00 C ATOM 479 O VAL A 34 -3.271 -4.208 -8.438 1.00 0.00 O ATOM 480 CB VAL A 34 -3.211 -2.075 -10.405 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.708 -2.275 -10.526 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.703 -1.043 -11.409 1.00 0.00 C ATOM 0 H VAL A 34 -5.652 -2.971 -9.454 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.812 -3.750 -11.625 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.424 -1.703 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.201 -1.320 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.372 -2.979 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.472 -2.670 -11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.169 -0.105 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.522 -1.405 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.771 -0.879 -11.268 1.00 0.00 H new ATOM 492 N THR A 35 -2.985 -5.596 -10.186 1.00 0.00 N ATOM 493 CA THR A 35 -2.413 -6.669 -9.382 1.00 0.00 C ATOM 494 C THR A 35 -0.906 -6.499 -9.231 1.00 0.00 C ATOM 495 O THR A 35 -0.139 -6.857 -10.126 1.00 0.00 O ATOM 496 CB THR A 35 -2.704 -8.050 -9.998 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.108 -8.191 -10.245 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.231 -9.164 -9.077 1.00 0.00 C ATOM 0 H THR A 35 -3.059 -5.808 -11.181 1.00 0.00 H new ATOM 0 HA THR A 35 -2.882 -6.612 -8.400 1.00 0.00 H new ATOM 0 HB THR A 35 -2.161 -8.125 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.582 -7.406 -9.898 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.447 -10.130 -9.533 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.157 -9.071 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.749 -9.090 -8.121 1.00 0.00 H new ATOM 506 N ILE A 36 -0.488 -5.952 -8.095 1.00 0.00 N ATOM 507 CA ILE A 36 0.929 -5.737 -7.827 1.00 0.00 C ATOM 508 C ILE A 36 1.621 -7.042 -7.448 1.00 0.00 C ATOM 509 O ILE A 36 1.000 -8.105 -7.437 1.00 0.00 O ATOM 510 CB ILE A 36 1.139 -4.711 -6.698 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.693 -5.297 -5.357 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.381 -3.427 -7.001 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.973 -4.390 -4.179 1.00 0.00 C ATOM 0 H ILE A 36 -1.110 -5.650 -7.345 1.00 0.00 H new ATOM 0 HA ILE A 36 1.369 -5.349 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 36 2.201 -4.475 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.376 -5.506 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.198 -6.250 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.539 -2.712 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.743 -3.003 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.683 -3.645 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.631 -4.869 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.044 -4.201 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.446 -3.446 -4.314 1.00 0.00 H new ATOM 525 N ASP A 37 2.909 -6.953 -7.136 1.00 0.00 N ATOM 526 CA ASP A 37 3.686 -8.127 -6.753 1.00 0.00 C ATOM 527 C ASP A 37 3.045 -8.838 -5.566 1.00 0.00 C ATOM 528 O ASP A 37 2.902 -10.062 -5.564 1.00 0.00 O ATOM 529 CB ASP A 37 5.121 -7.724 -6.408 1.00 0.00 C ATOM 530 CG ASP A 37 5.857 -7.134 -7.595 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.933 -7.809 -8.643 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.356 -5.995 -7.476 1.00 0.00 O ATOM 0 H ASP A 37 3.437 -6.081 -7.141 1.00 0.00 H new ATOM 0 HA ASP A 37 3.703 -8.814 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.106 -6.997 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.663 -8.597 -6.045 1.00 0.00 H new ATOM 537 N CYS A 38 2.661 -8.065 -4.555 1.00 0.00 N ATOM 538 CA CYS A 38 2.037 -8.621 -3.361 1.00 0.00 C ATOM 539 C CYS A 38 0.999 -9.676 -3.730 1.00 0.00 C ATOM 540 O CYS A 38 0.953 -10.752 -3.135 1.00 0.00 O ATOM 541 CB CYS A 38 1.380 -7.509 -2.539 1.00 0.00 C ATOM 542 SG CYS A 38 -0.365 -7.205 -2.961 1.00 0.00 S ATOM 0 H CYS A 38 2.771 -7.051 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 38 2.815 -9.096 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.448 -7.765 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.943 -6.586 -2.680 1.00 0.00 H new ATOM 547 N GLY A 39 0.166 -9.360 -4.717 1.00 0.00 N ATOM 548 CA GLY A 39 -0.860 -10.290 -5.150 1.00 0.00 C ATOM 549 C GLY A 39 -2.256 -9.822 -4.790 1.00 0.00 C ATOM 550 O GLY A 39 -3.115 -10.627 -4.427 1.00 0.00 O ATOM 0 H GLY A 39 0.184 -8.476 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.792 -10.424 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.678 -11.264 -4.696 1.00 0.00 H new ATOM 554 N HIS A 40 -2.484 -8.516 -4.889 1.00 0.00 N ATOM 555 CA HIS A 40 -3.787 -7.942 -4.570 1.00 0.00 C ATOM 556 C HIS A 40 -4.200 -6.916 -5.621 1.00 0.00 C ATOM 557 O HIS A 40 -3.355 -6.328 -6.294 1.00 0.00 O ATOM 558 CB HIS A 40 -3.755 -7.288 -3.188 1.00 0.00 C ATOM 559 CG HIS A 40 -3.703 -8.273 -2.060 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.214 -7.961 -0.810 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.086 -9.570 -2.000 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.296 -9.024 -0.029 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.822 -10.014 -0.728 1.00 0.00 N ATOM 0 H HIS A 40 -1.785 -7.836 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.521 -8.748 -4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.887 -6.631 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.639 -6.661 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.519 -10.148 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.986 -9.075 1.004 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.003 -10.955 -0.379 1.00 0.00 H new ATOM 571 N ASN A 41 -5.506 -6.708 -5.756 1.00 0.00 N ATOM 572 CA ASN A 41 -6.031 -5.755 -6.727 1.00 0.00 C ATOM 573 C ASN A 41 -6.505 -4.480 -6.035 1.00 0.00 C ATOM 574 O ASN A 41 -7.266 -4.531 -5.068 1.00 0.00 O ATOM 575 CB ASN A 41 -7.185 -6.380 -7.514 1.00 0.00 C ATOM 576 CG ASN A 41 -6.702 -7.355 -8.571 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.370 -6.961 -9.689 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.663 -8.635 -8.220 1.00 0.00 N ATOM 0 H ASN A 41 -6.219 -7.186 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.228 -5.497 -7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.853 -6.897 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.766 -5.590 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.348 -9.338 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.948 -8.915 -7.282 1.00 0.00 H new ATOM 585 N PHE A 42 -6.050 -3.337 -6.538 1.00 0.00 N ATOM 586 CA PHE A 42 -6.426 -2.048 -5.968 1.00 0.00 C ATOM 587 C PHE A 42 -6.842 -1.070 -7.064 1.00 0.00 C ATOM 588 O PHE A 42 -6.681 -1.347 -8.253 1.00 0.00 O ATOM 589 CB PHE A 42 -5.265 -1.464 -5.162 1.00 0.00 C ATOM 590 CG PHE A 42 -4.900 -2.283 -3.957 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.724 -2.305 -2.843 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.733 -3.029 -3.937 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.392 -3.058 -1.732 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.396 -3.784 -2.829 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.226 -3.797 -1.725 1.00 0.00 C ATOM 0 H PHE A 42 -5.421 -3.277 -7.339 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.276 -2.206 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.392 -1.375 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.527 -0.456 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.636 -1.727 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.079 -3.021 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.044 -3.068 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.484 -4.363 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.963 -4.384 -0.858 1.00 0.00 H new ATOM 605 N CYS A 43 -7.379 0.074 -6.654 1.00 0.00 N ATOM 606 CA CYS A 43 -7.819 1.094 -7.599 1.00 0.00 C ATOM 607 C CYS A 43 -6.772 2.195 -7.738 1.00 0.00 C ATOM 608 O CYS A 43 -6.184 2.637 -6.750 1.00 0.00 O ATOM 609 CB CYS A 43 -9.151 1.696 -7.147 1.00 0.00 C ATOM 610 SG CYS A 43 -8.981 3.153 -6.067 1.00 0.00 S ATOM 0 H CYS A 43 -7.520 0.318 -5.674 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.953 0.620 -8.571 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.728 1.976 -8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.723 0.932 -6.621 1.00 0.00 H new ATOM 615 N LEU A 44 -6.545 2.634 -8.971 1.00 0.00 N ATOM 616 CA LEU A 44 -5.569 3.685 -9.241 1.00 0.00 C ATOM 617 C LEU A 44 -5.670 4.801 -8.206 1.00 0.00 C ATOM 618 O LEU A 44 -4.702 5.105 -7.507 1.00 0.00 O ATOM 619 CB LEU A 44 -5.779 4.255 -10.644 1.00 0.00 C ATOM 620 CG LEU A 44 -4.978 5.512 -10.985 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.532 5.156 -11.295 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.611 6.246 -12.158 1.00 0.00 C ATOM 0 H LEU A 44 -7.023 2.279 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.573 3.246 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.529 3.481 -11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.838 4.479 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.990 6.173 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.977 6.063 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.082 4.675 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.499 4.475 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.028 7.138 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.630 5.591 -13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.630 6.535 -11.899 1.00 0.00 H new ATOM 634 N LYS A 45 -6.848 5.408 -8.111 1.00 0.00 N ATOM 635 CA LYS A 45 -7.078 6.488 -7.159 1.00 0.00 C ATOM 636 C LYS A 45 -6.427 6.178 -5.815 1.00 0.00 C ATOM 637 O LYS A 45 -5.993 7.082 -5.101 1.00 0.00 O ATOM 638 CB LYS A 45 -8.579 6.717 -6.970 1.00 0.00 C ATOM 639 CG LYS A 45 -9.328 6.950 -8.270 1.00 0.00 C ATOM 640 CD LYS A 45 -10.556 7.820 -8.058 1.00 0.00 C ATOM 641 CE LYS A 45 -11.083 8.371 -9.375 1.00 0.00 C ATOM 642 NZ LYS A 45 -10.096 9.269 -10.035 1.00 0.00 N ATOM 0 H LYS A 45 -7.659 5.170 -8.682 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.626 7.395 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.009 5.853 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.727 7.576 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.665 7.425 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.629 5.992 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.336 7.237 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.308 8.645 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.326 7.545 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.008 8.918 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.594 9.924 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.583 9.812 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.421 8.699 -10.583 1.00 0.00 H new ATOM 656 N CYS A 46 -6.361 4.894 -5.478 1.00 0.00 N ATOM 657 CA CYS A 46 -5.761 4.464 -4.220 1.00 0.00 C ATOM 658 C CYS A 46 -4.260 4.244 -4.381 1.00 0.00 C ATOM 659 O CYS A 46 -3.451 5.040 -3.904 1.00 0.00 O ATOM 660 CB CYS A 46 -6.426 3.177 -3.728 1.00 0.00 C ATOM 661 SG CYS A 46 -7.842 3.451 -2.615 1.00 0.00 S ATOM 0 H CYS A 46 -6.715 4.134 -6.058 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.918 5.251 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.762 2.601 -4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.682 2.571 -3.210 1.00 0.00 H new ATOM 666 N ILE A 47 -3.895 3.159 -5.056 1.00 0.00 N ATOM 667 CA ILE A 47 -2.492 2.835 -5.280 1.00 0.00 C ATOM 668 C ILE A 47 -1.662 4.098 -5.484 1.00 0.00 C ATOM 669 O ILE A 47 -0.526 4.190 -5.019 1.00 0.00 O ATOM 670 CB ILE A 47 -2.315 1.915 -6.502 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.025 0.579 -6.270 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.837 1.692 -6.788 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.107 -0.285 -7.508 1.00 0.00 C ATOM 0 H ILE A 47 -4.552 2.490 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.142 2.313 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.764 2.398 -7.369 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.501 0.030 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.033 0.772 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.728 1.040 -7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.357 2.649 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.365 1.227 -5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.622 -1.215 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.657 0.245 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.101 -0.508 -7.863 1.00 0.00 H new ATOM 685 N THR A 48 -2.238 5.072 -6.182 1.00 0.00 N ATOM 686 CA THR A 48 -1.553 6.330 -6.448 1.00 0.00 C ATOM 687 C THR A 48 -1.420 7.162 -5.178 1.00 0.00 C ATOM 688 O THR A 48 -0.321 7.578 -4.811 1.00 0.00 O ATOM 689 CB THR A 48 -2.293 7.158 -7.515 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.577 6.343 -8.658 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.464 8.361 -7.938 1.00 0.00 C ATOM 0 H THR A 48 -3.178 5.013 -6.573 1.00 0.00 H new ATOM 0 HA THR A 48 -0.560 6.077 -6.819 1.00 0.00 H new ATOM 0 HB THR A 48 -3.228 7.515 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.289 5.707 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.007 8.930 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.274 8.995 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.515 8.021 -8.354 1.00 0.00 H new ATOM 699 N GLN A 49 -2.545 7.401 -4.511 1.00 0.00 N ATOM 700 CA GLN A 49 -2.552 8.184 -3.281 1.00 0.00 C ATOM 701 C GLN A 49 -1.573 7.608 -2.263 1.00 0.00 C ATOM 702 O GLN A 49 -0.679 8.306 -1.784 1.00 0.00 O ATOM 703 CB GLN A 49 -3.960 8.224 -2.686 1.00 0.00 C ATOM 704 CG GLN A 49 -4.796 9.394 -3.180 1.00 0.00 C ATOM 705 CD GLN A 49 -4.097 10.727 -3.002 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.957 11.223 -1.883 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.654 11.315 -4.106 1.00 0.00 N ATOM 0 H GLN A 49 -3.463 7.064 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.239 9.199 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.474 7.294 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.885 8.275 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.030 9.249 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.744 9.411 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.792 10.868 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.176 12.214 -4.048 1.00 0.00 H new ATOM 716 N ILE A 50 -1.748 6.332 -1.938 1.00 0.00 N ATOM 717 CA ILE A 50 -0.880 5.662 -0.977 1.00 0.00 C ATOM 718 C ILE A 50 0.573 6.089 -1.159 1.00 0.00 C ATOM 719 O ILE A 50 1.258 6.425 -0.194 1.00 0.00 O ATOM 720 CB ILE A 50 -0.973 4.131 -1.106 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.400 3.659 -0.821 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.011 3.459 -0.160 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.724 2.312 -1.430 1.00 0.00 C ATOM 0 H ILE A 50 -2.483 5.741 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.222 5.956 0.016 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.715 3.851 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.548 3.606 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.102 4.400 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.067 2.377 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.025 3.775 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.219 3.743 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.751 2.041 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.609 2.365 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.046 1.559 -1.029 1.00 0.00 H new ATOM 735 N GLY A 51 1.036 6.076 -2.405 1.00 0.00 N ATOM 736 CA GLY A 51 2.405 6.466 -2.692 1.00 0.00 C ATOM 737 C GLY A 51 2.505 7.393 -3.887 1.00 0.00 C ATOM 738 O GLY A 51 2.155 7.015 -5.004 1.00 0.00 O ATOM 0 H GLY A 51 0.488 5.803 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.830 6.958 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.003 5.573 -2.877 1.00 0.00 H new ATOM 742 N GLU A 52 2.984 8.610 -3.651 1.00 0.00 N ATOM 743 CA GLU A 52 3.126 9.594 -4.718 1.00 0.00 C ATOM 744 C GLU A 52 3.791 8.975 -5.944 1.00 0.00 C ATOM 745 O GLU A 52 4.306 7.858 -5.888 1.00 0.00 O ATOM 746 CB GLU A 52 3.944 10.792 -4.230 1.00 0.00 C ATOM 747 CG GLU A 52 3.106 11.872 -3.566 1.00 0.00 C ATOM 748 CD GLU A 52 3.892 13.143 -3.306 1.00 0.00 C ATOM 749 OE1 GLU A 52 4.381 13.747 -4.283 1.00 0.00 O ATOM 750 OE2 GLU A 52 4.017 13.532 -2.126 1.00 0.00 O ATOM 0 H GLU A 52 3.280 8.938 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 52 2.129 9.934 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.697 10.443 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.477 11.226 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.249 12.102 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.713 11.493 -2.623 1.00 0.00 H new ATOM 757 N THR A 53 3.776 9.709 -7.052 1.00 0.00 N ATOM 758 CA THR A 53 4.375 9.233 -8.292 1.00 0.00 C ATOM 759 C THR A 53 5.806 9.736 -8.440 1.00 0.00 C ATOM 760 O THR A 53 6.257 10.039 -9.545 1.00 0.00 O ATOM 761 CB THR A 53 3.557 9.680 -9.519 1.00 0.00 C ATOM 762 OG1 THR A 53 3.471 11.108 -9.557 1.00 0.00 O ATOM 763 CG2 THR A 53 2.157 9.084 -9.482 1.00 0.00 C ATOM 0 H THR A 53 3.355 10.636 -7.116 1.00 0.00 H new ATOM 0 HA THR A 53 4.378 8.144 -8.243 1.00 0.00 H new ATOM 0 HB THR A 53 4.064 9.323 -10.415 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.951 11.384 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.598 9.413 -10.358 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.225 7.996 -9.483 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.644 9.415 -8.579 1.00 0.00 H new ATOM 771 N SER A 54 6.517 9.823 -7.320 1.00 0.00 N ATOM 772 CA SER A 54 7.897 10.292 -7.325 1.00 0.00 C ATOM 773 C SER A 54 8.850 9.182 -6.892 1.00 0.00 C ATOM 774 O SER A 54 10.030 9.188 -7.247 1.00 0.00 O ATOM 775 CB SER A 54 8.050 11.501 -6.400 1.00 0.00 C ATOM 776 OG SER A 54 7.643 11.187 -5.079 1.00 0.00 O ATOM 0 H SER A 54 6.159 9.575 -6.398 1.00 0.00 H new ATOM 0 HA SER A 54 8.151 10.588 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.089 11.830 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.454 12.331 -6.780 1.00 0.00 H new ATOM 0 HG SER A 54 7.752 11.975 -4.507 1.00 0.00 H new ATOM 782 N CYS A 55 8.331 8.231 -6.124 1.00 0.00 N ATOM 783 CA CYS A 55 9.134 7.114 -5.641 1.00 0.00 C ATOM 784 C CYS A 55 8.592 5.788 -6.165 1.00 0.00 C ATOM 785 O CYS A 55 9.269 5.078 -6.906 1.00 0.00 O ATOM 786 CB CYS A 55 9.160 7.100 -4.112 1.00 0.00 C ATOM 787 SG CYS A 55 9.981 8.533 -3.375 1.00 0.00 S ATOM 0 H CYS A 55 7.357 8.211 -5.822 1.00 0.00 H new ATOM 0 HA CYS A 55 10.151 7.242 -6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.136 7.051 -3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.664 6.194 -3.776 1.00 0.00 H new ATOM 0 HG CYS A 55 9.950 8.432 -2.079 1.00 0.00 H new ATOM 793 N GLY A 56 7.365 5.460 -5.771 1.00 0.00 N ATOM 794 CA GLY A 56 6.753 4.219 -6.209 1.00 0.00 C ATOM 795 C GLY A 56 6.528 3.249 -5.066 1.00 0.00 C ATOM 796 O GLY A 56 5.388 2.916 -4.740 1.00 0.00 O ATOM 0 H GLY A 56 6.784 6.031 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.799 4.437 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.388 3.750 -6.960 1.00 0.00 H new ATOM 800 N PHE A 57 7.617 2.792 -4.456 1.00 0.00 N ATOM 801 CA PHE A 57 7.533 1.852 -3.344 1.00 0.00 C ATOM 802 C PHE A 57 6.365 2.199 -2.425 1.00 0.00 C ATOM 803 O PHE A 57 6.289 3.305 -1.890 1.00 0.00 O ATOM 804 CB PHE A 57 8.840 1.853 -2.548 1.00 0.00 C ATOM 805 CG PHE A 57 9.909 0.986 -3.150 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.539 1.358 -4.327 1.00 0.00 C ATOM 807 CD2 PHE A 57 10.284 -0.199 -2.539 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.522 0.561 -4.883 1.00 0.00 C ATOM 809 CE2 PHE A 57 11.267 -0.999 -3.090 1.00 0.00 C ATOM 810 CZ PHE A 57 11.887 -0.618 -4.264 1.00 0.00 C ATOM 0 H PHE A 57 8.568 3.057 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 57 7.366 0.856 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.211 2.875 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.638 1.514 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.259 2.280 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.802 -0.502 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.005 0.860 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.550 -1.921 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.656 -1.241 -4.697 1.00 0.00 H new ATOM 820 N PHE A 58 5.456 1.246 -2.248 1.00 0.00 N ATOM 821 CA PHE A 58 4.291 1.450 -1.396 1.00 0.00 C ATOM 822 C PHE A 58 3.824 0.130 -0.788 1.00 0.00 C ATOM 823 O PHE A 58 3.281 -0.729 -1.483 1.00 0.00 O ATOM 824 CB PHE A 58 3.152 2.086 -2.196 1.00 0.00 C ATOM 825 CG PHE A 58 2.483 1.136 -3.147 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.216 0.476 -4.120 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.119 0.902 -3.067 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.603 -0.400 -4.996 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.501 0.026 -3.940 1.00 0.00 C ATOM 830 CZ PHE A 58 1.243 -0.624 -4.906 1.00 0.00 C ATOM 0 H PHE A 58 5.504 0.325 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 58 4.577 2.122 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.407 2.478 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.543 2.934 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.280 0.648 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.533 1.409 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.186 -0.908 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.562 -0.150 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.761 -1.307 -5.590 1.00 0.00 H new ATOM 840 N LYS A 59 4.039 -0.024 0.514 1.00 0.00 N ATOM 841 CA LYS A 59 3.641 -1.237 1.218 1.00 0.00 C ATOM 842 C LYS A 59 2.137 -1.464 1.103 1.00 0.00 C ATOM 843 O LYS A 59 1.339 -0.645 1.560 1.00 0.00 O ATOM 844 CB LYS A 59 4.044 -1.151 2.692 1.00 0.00 C ATOM 845 CG LYS A 59 5.440 -1.680 2.973 1.00 0.00 C ATOM 846 CD LYS A 59 5.434 -3.184 3.188 1.00 0.00 C ATOM 847 CE LYS A 59 6.826 -3.775 3.032 1.00 0.00 C ATOM 848 NZ LYS A 59 6.878 -5.197 3.472 1.00 0.00 N ATOM 0 H LYS A 59 4.487 0.677 1.104 1.00 0.00 H new ATOM 0 HA LYS A 59 4.154 -2.081 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.986 -0.112 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.325 -1.711 3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.098 -1.433 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.846 -1.187 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.052 -3.409 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.757 -3.652 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.135 -3.706 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.537 -3.189 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.536 -5.289 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.929 -5.504 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.205 -5.792 2.684 1.00 0.00 H new ATOM 862 N CYS A 60 1.757 -2.581 0.492 1.00 0.00 N ATOM 863 CA CYS A 60 0.349 -2.916 0.318 1.00 0.00 C ATOM 864 C CYS A 60 -0.383 -2.902 1.657 1.00 0.00 C ATOM 865 O CYS A 60 0.129 -3.361 2.677 1.00 0.00 O ATOM 866 CB CYS A 60 0.208 -4.292 -0.338 1.00 0.00 C ATOM 867 SG CYS A 60 -1.489 -4.954 -0.319 1.00 0.00 S ATOM 0 H CYS A 60 2.405 -3.270 0.109 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.100 -2.164 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.550 -4.227 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.867 -4.995 0.172 1.00 0.00 H new ATOM 872 N PRO A 61 -1.610 -2.361 1.654 1.00 0.00 N ATOM 873 CA PRO A 61 -2.440 -2.273 2.859 1.00 0.00 C ATOM 874 C PRO A 61 -2.936 -3.639 3.321 1.00 0.00 C ATOM 875 O PRO A 61 -2.790 -4.001 4.490 1.00 0.00 O ATOM 876 CB PRO A 61 -3.616 -1.398 2.418 1.00 0.00 C ATOM 877 CG PRO A 61 -3.697 -1.589 0.943 1.00 0.00 C ATOM 878 CD PRO A 61 -2.283 -1.793 0.473 1.00 0.00 C ATOM 0 HA PRO A 61 -1.886 -1.870 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.541 -1.702 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.449 -0.352 2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.319 -2.449 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.147 -0.721 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.237 -2.470 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.824 -0.855 0.161 1.00 0.00 H new ATOM 886 N LEU A 62 -3.523 -4.393 2.399 1.00 0.00 N ATOM 887 CA LEU A 62 -4.041 -5.721 2.712 1.00 0.00 C ATOM 888 C LEU A 62 -2.959 -6.593 3.340 1.00 0.00 C ATOM 889 O LEU A 62 -3.165 -7.194 4.395 1.00 0.00 O ATOM 890 CB LEU A 62 -4.582 -6.390 1.447 1.00 0.00 C ATOM 891 CG LEU A 62 -6.070 -6.185 1.164 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.357 -4.726 0.847 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.523 -7.081 0.020 1.00 0.00 C ATOM 0 H LEU A 62 -3.653 -4.108 1.428 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.853 -5.608 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.016 -6.019 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.390 -7.461 1.516 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.632 -6.458 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.421 -4.599 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.070 -4.106 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.786 -4.425 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.585 -6.922 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.955 -6.839 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.354 -8.124 0.286 1.00 0.00 H new ATOM 905 N CYS A 63 -1.804 -6.658 2.685 1.00 0.00 N ATOM 906 CA CYS A 63 -0.688 -7.455 3.179 1.00 0.00 C ATOM 907 C CYS A 63 0.602 -6.639 3.188 1.00 0.00 C ATOM 908 O CYS A 63 0.794 -5.751 2.357 1.00 0.00 O ATOM 909 CB CYS A 63 -0.506 -8.706 2.317 1.00 0.00 C ATOM 910 SG CYS A 63 0.039 -8.362 0.613 1.00 0.00 S ATOM 0 H CYS A 63 -1.617 -6.168 1.810 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.914 -7.756 4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.223 -9.361 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.449 -9.251 2.282 1.00 0.00 H new ATOM 915 N LYS A 64 1.483 -6.946 4.134 1.00 0.00 N ATOM 916 CA LYS A 64 2.755 -6.243 4.252 1.00 0.00 C ATOM 917 C LYS A 64 3.834 -6.928 3.419 1.00 0.00 C ATOM 918 O LYS A 64 4.638 -7.702 3.940 1.00 0.00 O ATOM 919 CB LYS A 64 3.191 -6.178 5.717 1.00 0.00 C ATOM 920 CG LYS A 64 2.516 -5.069 6.504 1.00 0.00 C ATOM 921 CD LYS A 64 3.410 -4.552 7.619 1.00 0.00 C ATOM 922 CE LYS A 64 3.517 -5.554 8.758 1.00 0.00 C ATOM 923 NZ LYS A 64 3.920 -4.902 10.035 1.00 0.00 N ATOM 0 H LYS A 64 1.339 -7.677 4.830 1.00 0.00 H new ATOM 0 HA LYS A 64 2.618 -5.229 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.975 -7.134 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.271 -6.037 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.260 -4.249 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.582 -5.439 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.404 -4.343 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.013 -3.610 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.558 -6.054 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.244 -6.323 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.982 -5.619 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.847 -4.446 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.213 -4.186 10.297 1.00 0.00 H new ATOM 937 N THR A 65 3.848 -6.637 2.121 1.00 0.00 N ATOM 938 CA THR A 65 4.828 -7.224 1.217 1.00 0.00 C ATOM 939 C THR A 65 5.707 -6.150 0.586 1.00 0.00 C ATOM 940 O THR A 65 5.295 -4.998 0.450 1.00 0.00 O ATOM 941 CB THR A 65 4.146 -8.035 0.099 1.00 0.00 C ATOM 942 OG1 THR A 65 3.179 -8.929 0.662 1.00 0.00 O ATOM 943 CG2 THR A 65 5.171 -8.825 -0.700 1.00 0.00 C ATOM 0 H THR A 65 3.191 -5.998 1.673 1.00 0.00 H new ATOM 0 HA THR A 65 5.448 -7.892 1.814 1.00 0.00 H new ATOM 0 HB THR A 65 3.646 -7.337 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.280 -8.559 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.665 -9.389 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.887 -8.139 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.696 -9.514 -0.038 1.00 0.00 H new ATOM 951 N SER A 66 6.920 -6.535 0.202 1.00 0.00 N ATOM 952 CA SER A 66 7.858 -5.603 -0.412 1.00 0.00 C ATOM 953 C SER A 66 7.544 -5.412 -1.893 1.00 0.00 C ATOM 954 O SER A 66 8.093 -6.105 -2.750 1.00 0.00 O ATOM 955 CB SER A 66 9.293 -6.107 -0.244 1.00 0.00 C ATOM 956 OG SER A 66 9.837 -5.693 0.997 1.00 0.00 O ATOM 0 H SER A 66 7.276 -7.485 0.305 1.00 0.00 H new ATOM 0 HA SER A 66 7.757 -4.641 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.309 -7.195 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.911 -5.731 -1.059 1.00 0.00 H new ATOM 0 HG SER A 66 10.754 -6.029 1.081 1.00 0.00 H new ATOM 962 N VAL A 67 6.657 -4.467 -2.186 1.00 0.00 N ATOM 963 CA VAL A 67 6.269 -4.183 -3.562 1.00 0.00 C ATOM 964 C VAL A 67 7.030 -2.981 -4.110 1.00 0.00 C ATOM 965 O VAL A 67 7.164 -1.959 -3.437 1.00 0.00 O ATOM 966 CB VAL A 67 4.757 -3.915 -3.676 1.00 0.00 C ATOM 967 CG1 VAL A 67 4.379 -2.654 -2.914 1.00 0.00 C ATOM 968 CG2 VAL A 67 4.342 -3.810 -5.136 1.00 0.00 C ATOM 0 H VAL A 67 6.193 -3.885 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 67 6.518 -5.067 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 67 4.223 -4.754 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.307 -2.481 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.638 -2.773 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.921 -1.803 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.270 -3.621 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.883 -2.991 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.575 -4.743 -5.649 1.00 0.00 H new ATOM 978 N ARG A 68 7.525 -3.110 -5.337 1.00 0.00 N ATOM 979 CA ARG A 68 8.273 -2.034 -5.976 1.00 0.00 C ATOM 980 C ARG A 68 7.892 -1.906 -7.448 1.00 0.00 C ATOM 981 O ARG A 68 7.646 -2.904 -8.126 1.00 0.00 O ATOM 982 CB ARG A 68 9.777 -2.283 -5.847 1.00 0.00 C ATOM 983 CG ARG A 68 10.245 -3.553 -6.538 1.00 0.00 C ATOM 984 CD ARG A 68 11.646 -3.945 -6.095 1.00 0.00 C ATOM 985 NE ARG A 68 12.274 -4.877 -7.027 1.00 0.00 N ATOM 986 CZ ARG A 68 13.556 -5.223 -6.969 1.00 0.00 C ATOM 987 NH1 ARG A 68 14.340 -4.717 -6.028 1.00 0.00 N ATOM 988 NH2 ARG A 68 14.054 -6.078 -7.853 1.00 0.00 N ATOM 0 H ARG A 68 7.421 -3.949 -5.908 1.00 0.00 H new ATOM 0 HA ARG A 68 8.021 -1.101 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.315 -1.432 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.039 -2.337 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.552 -4.365 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.231 -3.407 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.262 -3.050 -6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.599 -4.399 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 68 11.697 -5.285 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.960 -4.060 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.323 -4.984 -5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.453 -6.470 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.038 -6.343 -7.808 1.00 0.00 H new ATOM 1002 N LYS A 69 7.844 -0.671 -7.936 1.00 0.00 N ATOM 1003 CA LYS A 69 7.494 -0.411 -9.327 1.00 0.00 C ATOM 1004 C LYS A 69 8.687 0.152 -10.093 1.00 0.00 C ATOM 1005 O LYS A 69 9.073 1.304 -9.898 1.00 0.00 O ATOM 1006 CB LYS A 69 6.318 0.564 -9.405 1.00 0.00 C ATOM 1007 CG LYS A 69 4.960 -0.113 -9.329 1.00 0.00 C ATOM 1008 CD LYS A 69 3.863 0.877 -8.974 1.00 0.00 C ATOM 1009 CE LYS A 69 2.556 0.168 -8.650 1.00 0.00 C ATOM 1010 NZ LYS A 69 1.915 -0.398 -9.869 1.00 0.00 N ATOM 0 H LYS A 69 8.043 0.166 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 69 7.205 -1.357 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.401 1.286 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.383 1.125 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.732 -0.582 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.990 -0.908 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.175 1.476 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.709 1.565 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.745 -0.632 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.872 0.869 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.028 -0.873 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.712 0.368 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.557 -1.086 -10.312 1.00 0.00 H new ATOM 1024 N ASN A 70 9.266 -0.667 -10.965 1.00 0.00 N ATOM 1025 CA ASN A 70 10.414 -0.249 -11.760 1.00 0.00 C ATOM 1026 C ASN A 70 9.970 0.288 -13.117 1.00 0.00 C ATOM 1027 O ASN A 70 9.602 -0.477 -14.008 1.00 0.00 O ATOM 1028 CB ASN A 70 11.380 -1.419 -11.953 1.00 0.00 C ATOM 1029 CG ASN A 70 11.565 -2.232 -10.687 1.00 0.00 C ATOM 1030 OD1 ASN A 70 11.286 -1.758 -9.585 1.00 0.00 O ATOM 1031 ND2 ASN A 70 12.036 -3.464 -10.838 1.00 0.00 N ATOM 0 H ASN A 70 8.959 -1.624 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 70 10.925 0.550 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.007 -2.067 -12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.347 -1.038 -12.281 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.180 -4.059 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.254 -3.816 -11.770 1.00 0.00 H new ATOM 1038 N ALA A 71 10.008 1.608 -13.267 1.00 0.00 N ATOM 1039 CA ALA A 71 9.612 2.247 -14.515 1.00 0.00 C ATOM 1040 C ALA A 71 10.087 3.695 -14.566 1.00 0.00 C ATOM 1041 O ALA A 71 10.655 4.206 -13.600 1.00 0.00 O ATOM 1042 CB ALA A 71 8.102 2.179 -14.687 1.00 0.00 C ATOM 0 H ALA A 71 10.309 2.256 -12.539 1.00 0.00 H new ATOM 0 HA ALA A 71 10.085 1.708 -15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.820 2.660 -15.624 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.784 1.136 -14.705 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.618 2.692 -13.856 1.00 0.00 H new ATOM 1048 N ILE A 72 9.852 4.351 -15.697 1.00 0.00 N ATOM 1049 CA ILE A 72 10.256 5.740 -15.872 1.00 0.00 C ATOM 1050 C ILE A 72 9.293 6.687 -15.164 1.00 0.00 C ATOM 1051 O ILE A 72 8.081 6.623 -15.371 1.00 0.00 O ATOM 1052 CB ILE A 72 10.330 6.122 -17.363 1.00 0.00 C ATOM 1053 CG1 ILE A 72 11.329 5.221 -18.093 1.00 0.00 C ATOM 1054 CG2 ILE A 72 10.717 7.585 -17.517 1.00 0.00 C ATOM 1055 CD1 ILE A 72 11.275 5.356 -19.599 1.00 0.00 C ATOM 0 H ILE A 72 9.384 3.943 -16.506 1.00 0.00 H new ATOM 0 HA ILE A 72 11.248 5.837 -15.430 1.00 0.00 H new ATOM 0 HB ILE A 72 9.346 5.979 -17.809 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.337 5.457 -17.751 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.136 4.183 -17.822 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.765 7.839 -18.576 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.972 8.212 -17.027 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.692 7.754 -17.059 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.009 4.689 -20.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.278 5.091 -19.953 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.498 6.385 -19.880 1.00 0.00 H new ATOM 1067 N ARG A 73 9.840 7.565 -14.331 1.00 0.00 N ATOM 1068 CA ARG A 73 9.029 8.526 -13.592 1.00 0.00 C ATOM 1069 C ARG A 73 8.379 9.530 -14.540 1.00 0.00 C ATOM 1070 O ARG A 73 8.081 10.660 -14.153 1.00 0.00 O ATOM 1071 CB ARG A 73 9.886 9.262 -12.561 1.00 0.00 C ATOM 1072 CG ARG A 73 10.899 10.213 -13.178 1.00 0.00 C ATOM 1073 CD ARG A 73 11.723 10.917 -12.111 1.00 0.00 C ATOM 1074 NE ARG A 73 12.512 12.014 -12.665 1.00 0.00 N ATOM 1075 CZ ARG A 73 13.693 11.847 -13.251 1.00 0.00 C ATOM 1076 NH1 ARG A 73 14.217 10.635 -13.359 1.00 0.00 N ATOM 1077 NH2 ARG A 73 14.350 12.895 -13.731 1.00 0.00 N ATOM 0 H ARG A 73 10.842 7.631 -14.150 1.00 0.00 H new ATOM 0 HA ARG A 73 8.241 7.978 -13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.233 9.824 -11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.413 8.529 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.561 9.659 -13.844 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.381 10.954 -13.787 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.060 11.302 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.388 10.198 -11.633 1.00 0.00 H new ATOM 0 HE ARG A 73 12.136 12.960 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.714 9.827 -12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.124 10.510 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.949 13.829 -13.650 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.256 12.766 -14.181 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.504 2.551 -3.880 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.309 -7.249 -0.798 1.00 0.00 ZN