USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.21 (180deg=0.682) USER MOD Single : A 7 ASN : amide:sc= -0.845! C(o=-0.85!,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.521 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0.716 (180deg=0.704) USER MOD Single : A 13 ASN : amide:sc= 0.815 K(o=0.81,f=0) USER MOD Single : A 18 SER OG : rot -145:sc= 0.48 USER MOD Single : A 19 SER OG : rot 180:sc= 0.159 USER MOD Single : A 48 TYR OH : rot -26:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.617 (180deg=0.509) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00361 (180deg=-0.121) USER MOD Single : A 54 CYS SG : rot 29:sc= -1.39 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.0339 K(o=0.034,f=-9.1!) USER MOD Single : A 59 THR OG1 : rot 87:sc= 0.902 USER MOD Single : A 62 SER OG : rot -56:sc= -0.0241 USER MOD Single : A 64 ASN : amide:sc= 1.06 K(o=1.1,f=-0.77) USER MOD Single : A 67 SER OG : rot -75:sc= 1.08 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -101:sc= 0.00726 USER MOD Single : A 76 THR OG1 : rot 9:sc= 1.03 USER MOD Single : A 78 MET CE :methyl -176:sc= -0.103 (180deg=-0.113) USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= -0.263 (180deg=-0.616) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= -0.0155 (180deg=-0.126) USER MOD Single : A 86 CYS SG : rot -55:sc= 0.378 USER MOD Single : A 88 THR OG1 : rot 31:sc= 1.24 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00429) USER MOD Single : A 97 THR OG1 : rot 70:sc= 1.36 USER MOD Single : A 100 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 101 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -150:sc= 1.22 USER MOD Single : A 107 ASN : amide:sc= 0.671 K(o=0.67,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.066 -2.775 -12.389 1.00 0.00 N ATOM 2 CA MET A 1 -4.150 -1.836 -12.716 1.00 0.00 C ATOM 3 C MET A 1 -4.055 -0.634 -11.773 1.00 0.00 C ATOM 4 O MET A 1 -3.121 0.145 -11.931 1.00 0.00 O ATOM 5 CB MET A 1 -5.513 -2.555 -12.700 1.00 0.00 C ATOM 6 CG MET A 1 -6.652 -1.674 -13.235 1.00 0.00 C ATOM 7 SD MET A 1 -6.448 -1.142 -14.952 1.00 0.00 S ATOM 8 CE MET A 1 -7.770 0.083 -15.061 1.00 0.00 C ATOM 0 H1 MET A 1 -2.690 -3.190 -13.265 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.306 -2.268 -11.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.434 -3.531 -11.778 1.00 0.00 H new ATOM 0 HA MET A 1 -4.048 -1.454 -13.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.448 -3.462 -13.300 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.745 -2.863 -11.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.590 -2.222 -13.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.739 -0.791 -12.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.786 0.513 -16.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.728 -0.396 -14.857 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.596 0.872 -14.330 1.00 0.00 H new ATOM 20 N GLU A 2 -4.934 -0.509 -10.775 1.00 0.00 N ATOM 21 CA GLU A 2 -4.898 0.610 -9.844 1.00 0.00 C ATOM 22 C GLU A 2 -3.614 0.578 -9.017 1.00 0.00 C ATOM 23 O GLU A 2 -3.022 1.622 -8.761 1.00 0.00 O ATOM 24 CB GLU A 2 -6.133 0.572 -8.935 1.00 0.00 C ATOM 25 CG GLU A 2 -7.461 0.645 -9.702 1.00 0.00 C ATOM 26 CD GLU A 2 -7.566 1.888 -10.580 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.873 2.960 -10.014 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.331 1.741 -11.799 1.00 0.00 O ATOM 0 H GLU A 2 -5.683 -1.177 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.910 1.542 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.113 -0.345 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.083 1.403 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.566 -0.244 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.287 0.636 -8.991 1.00 0.00 H new ATOM 35 N ALA A 3 -3.204 -0.620 -8.593 1.00 0.00 N ATOM 36 CA ALA A 3 -1.986 -0.834 -7.828 1.00 0.00 C ATOM 37 C ALA A 3 -0.755 -0.433 -8.644 1.00 0.00 C ATOM 38 O ALA A 3 -0.216 -1.249 -9.393 1.00 0.00 O ATOM 39 CB ALA A 3 -1.900 -2.301 -7.402 1.00 0.00 C ATOM 0 H ALA A 3 -3.722 -1.479 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.012 -0.207 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.987 -2.460 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.764 -2.552 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.888 -2.937 -8.287 1.00 0.00 H new ATOM 45 N GLY A 4 -0.315 0.820 -8.507 1.00 0.00 N ATOM 46 CA GLY A 4 0.882 1.313 -9.176 1.00 0.00 C ATOM 47 C GLY A 4 2.146 0.797 -8.477 1.00 0.00 C ATOM 48 O GLY A 4 2.064 0.065 -7.492 1.00 0.00 O ATOM 0 H GLY A 4 -0.782 1.518 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.880 0.993 -10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.881 2.403 -9.178 1.00 0.00 H new ATOM 52 N ALA A 5 3.323 1.195 -8.964 1.00 0.00 N ATOM 53 CA ALA A 5 4.614 0.838 -8.383 1.00 0.00 C ATOM 54 C ALA A 5 5.322 2.134 -7.998 1.00 0.00 C ATOM 55 O ALA A 5 5.271 3.088 -8.774 1.00 0.00 O ATOM 56 CB ALA A 5 5.436 0.043 -9.399 1.00 0.00 C ATOM 0 H ALA A 5 3.404 1.787 -9.791 1.00 0.00 H new ATOM 0 HA ALA A 5 4.486 0.212 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.399 -0.221 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.899 -0.866 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.597 0.649 -10.291 1.00 0.00 H new ATOM 62 N VAL A 6 5.950 2.190 -6.818 1.00 0.00 N ATOM 63 CA VAL A 6 6.641 3.384 -6.348 1.00 0.00 C ATOM 64 C VAL A 6 7.981 3.051 -5.691 1.00 0.00 C ATOM 65 O VAL A 6 8.302 1.901 -5.380 1.00 0.00 O ATOM 66 CB VAL A 6 5.750 4.213 -5.393 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.761 5.073 -6.177 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.994 3.383 -4.349 1.00 0.00 C ATOM 0 H VAL A 6 5.990 1.406 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 6 6.852 3.992 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 6 6.445 4.845 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.147 5.646 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.308 5.757 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.121 4.431 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.395 4.044 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.341 2.671 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.708 2.843 -3.727 1.00 0.00 H new ATOM 78 N ASN A 7 8.757 4.117 -5.507 1.00 0.00 N ATOM 79 CA ASN A 7 10.062 4.182 -4.871 1.00 0.00 C ATOM 80 C ASN A 7 10.134 5.568 -4.244 1.00 0.00 C ATOM 81 O ASN A 7 9.277 6.398 -4.523 1.00 0.00 O ATOM 82 CB ASN A 7 11.165 4.011 -5.931 1.00 0.00 C ATOM 83 CG ASN A 7 12.535 4.577 -5.560 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.824 5.742 -5.830 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.369 3.784 -4.897 1.00 0.00 N ATOM 0 H ASN A 7 8.457 5.037 -5.830 1.00 0.00 H new ATOM 0 HA ASN A 7 10.202 3.397 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.277 2.948 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.833 4.487 -6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.278 4.137 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.101 2.822 -4.688 1.00 0.00 H new ATOM 92 N ASP A 8 11.182 5.824 -3.468 1.00 0.00 N ATOM 93 CA ASP A 8 11.475 7.076 -2.778 1.00 0.00 C ATOM 94 C ASP A 8 11.103 8.287 -3.626 1.00 0.00 C ATOM 95 O ASP A 8 10.411 9.189 -3.161 1.00 0.00 O ATOM 96 CB ASP A 8 12.984 7.114 -2.511 1.00 0.00 C ATOM 97 CG ASP A 8 13.424 8.382 -1.787 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.565 9.416 -2.473 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.665 8.288 -0.564 1.00 0.00 O ATOM 0 H ASP A 8 11.896 5.117 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 8 10.894 7.118 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.265 6.245 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.518 7.038 -3.458 1.00 0.00 H new ATOM 104 N ASP A 9 11.567 8.280 -4.873 1.00 0.00 N ATOM 105 CA ASP A 9 11.302 9.349 -5.827 1.00 0.00 C ATOM 106 C ASP A 9 9.798 9.564 -6.029 1.00 0.00 C ATOM 107 O ASP A 9 9.222 10.553 -5.581 1.00 0.00 O ATOM 108 CB ASP A 9 11.974 9.006 -7.160 1.00 0.00 C ATOM 109 CG ASP A 9 11.645 10.054 -8.216 1.00 0.00 C ATOM 110 OD1 ASP A 9 12.114 11.199 -8.042 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.923 9.692 -9.169 1.00 0.00 O ATOM 0 H ASP A 9 12.141 7.526 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 9 11.712 10.278 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.054 8.947 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.641 8.025 -7.499 1.00 0.00 H new ATOM 116 N THR A 10 9.164 8.618 -6.719 1.00 0.00 N ATOM 117 CA THR A 10 7.764 8.674 -7.107 1.00 0.00 C ATOM 118 C THR A 10 6.831 8.806 -5.899 1.00 0.00 C ATOM 119 O THR A 10 5.807 9.478 -5.999 1.00 0.00 O ATOM 120 CB THR A 10 7.464 7.426 -7.946 1.00 0.00 C ATOM 121 OG1 THR A 10 8.025 6.278 -7.332 1.00 0.00 O ATOM 122 CG2 THR A 10 8.082 7.564 -9.341 1.00 0.00 C ATOM 0 H THR A 10 9.629 7.766 -7.031 1.00 0.00 H new ATOM 0 HA THR A 10 7.579 9.569 -7.701 1.00 0.00 H new ATOM 0 HB THR A 10 6.381 7.324 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.114 5.562 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.862 6.671 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.663 8.438 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.162 7.681 -9.251 1.00 0.00 H new ATOM 130 N PHE A 11 7.193 8.194 -4.767 1.00 0.00 N ATOM 131 CA PHE A 11 6.476 8.222 -3.493 1.00 0.00 C ATOM 132 C PHE A 11 5.970 9.626 -3.180 1.00 0.00 C ATOM 133 O PHE A 11 4.835 9.839 -2.762 1.00 0.00 O ATOM 134 CB PHE A 11 7.433 7.786 -2.377 1.00 0.00 C ATOM 135 CG PHE A 11 6.799 7.510 -1.032 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.000 6.366 -0.866 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.152 8.284 0.089 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.510 6.025 0.406 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.694 7.920 1.367 1.00 0.00 C ATOM 140 CZ PHE A 11 5.854 6.805 1.523 1.00 0.00 C ATOM 0 H PHE A 11 8.044 7.634 -4.715 1.00 0.00 H new ATOM 0 HA PHE A 11 5.622 7.548 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.954 6.886 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.188 8.562 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.762 5.747 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.775 9.158 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.869 5.164 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.988 8.498 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.473 6.548 2.500 1.00 0.00 H new ATOM 150 N LYS A 12 6.846 10.597 -3.393 1.00 0.00 N ATOM 151 CA LYS A 12 6.547 11.999 -3.153 1.00 0.00 C ATOM 152 C LYS A 12 5.279 12.413 -3.904 1.00 0.00 C ATOM 153 O LYS A 12 4.314 12.885 -3.309 1.00 0.00 O ATOM 154 CB LYS A 12 7.743 12.867 -3.560 1.00 0.00 C ATOM 155 CG LYS A 12 9.004 12.453 -2.790 1.00 0.00 C ATOM 156 CD LYS A 12 10.160 13.417 -3.082 1.00 0.00 C ATOM 157 CE LYS A 12 11.460 12.921 -2.437 1.00 0.00 C ATOM 158 NZ LYS A 12 11.945 11.684 -3.075 1.00 0.00 N ATOM 0 H LYS A 12 7.791 10.432 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 12 6.365 12.147 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.919 12.773 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.520 13.916 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.795 12.442 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.290 11.439 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.297 13.512 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.916 14.409 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.224 13.695 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.295 12.742 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.843 11.396 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.241 10.929 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.094 11.853 -4.090 1.00 0.00 H new ATOM 172 N ASN A 13 5.264 12.201 -5.216 1.00 0.00 N ATOM 173 CA ASN A 13 4.166 12.601 -6.076 1.00 0.00 C ATOM 174 C ASN A 13 2.933 11.720 -5.872 1.00 0.00 C ATOM 175 O ASN A 13 1.815 12.218 -5.779 1.00 0.00 O ATOM 176 CB ASN A 13 4.624 12.509 -7.538 1.00 0.00 C ATOM 177 CG ASN A 13 5.828 13.376 -7.915 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.495 13.092 -8.903 1.00 0.00 O ATOM 179 ND2 ASN A 13 6.144 14.428 -7.163 1.00 0.00 N ATOM 0 H ASN A 13 6.026 11.740 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 13 3.887 13.624 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.866 11.469 -7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.787 12.785 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.948 15.006 -7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.582 14.656 -6.343 1.00 0.00 H new ATOM 186 N VAL A 14 3.149 10.406 -5.831 1.00 0.00 N ATOM 187 CA VAL A 14 2.106 9.390 -5.838 1.00 0.00 C ATOM 188 C VAL A 14 1.530 9.076 -4.454 1.00 0.00 C ATOM 189 O VAL A 14 0.428 8.528 -4.385 1.00 0.00 O ATOM 190 CB VAL A 14 2.713 8.137 -6.505 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.774 6.927 -6.498 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.100 8.431 -7.963 1.00 0.00 C ATOM 0 H VAL A 14 4.088 10.010 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 14 1.247 9.763 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 14 3.591 7.889 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.265 6.083 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.529 6.663 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.859 7.173 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.526 7.535 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.213 8.732 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.836 9.235 -7.989 1.00 0.00 H new ATOM 202 N VAL A 15 2.225 9.402 -3.360 1.00 0.00 N ATOM 203 CA VAL A 15 1.785 9.068 -2.005 1.00 0.00 C ATOM 204 C VAL A 15 1.742 10.300 -1.094 1.00 0.00 C ATOM 205 O VAL A 15 0.733 10.538 -0.430 1.00 0.00 O ATOM 206 CB VAL A 15 2.702 7.974 -1.423 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.081 7.386 -0.153 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.943 6.851 -2.440 1.00 0.00 C ATOM 0 H VAL A 15 3.111 9.906 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 15 0.765 8.689 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 15 3.660 8.436 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.737 6.614 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.952 8.175 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.111 6.949 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.593 6.095 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.991 6.396 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.417 7.263 -3.331 1.00 0.00 H new ATOM 218 N LEU A 16 2.832 11.073 -1.027 1.00 0.00 N ATOM 219 CA LEU A 16 2.881 12.214 -0.116 1.00 0.00 C ATOM 220 C LEU A 16 1.954 13.343 -0.578 1.00 0.00 C ATOM 221 O LEU A 16 1.129 13.819 0.197 1.00 0.00 O ATOM 222 CB LEU A 16 4.313 12.745 0.048 1.00 0.00 C ATOM 223 CG LEU A 16 5.336 11.707 0.540 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.678 12.408 0.780 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.908 11.060 1.859 1.00 0.00 C ATOM 0 H LEU A 16 3.675 10.931 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 16 2.533 11.857 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.650 13.140 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.298 13.579 0.749 1.00 0.00 H new ATOM 0 HG LEU A 16 5.412 10.932 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.411 11.681 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.026 12.856 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.552 13.187 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.660 10.334 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.808 11.828 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.951 10.556 1.723 1.00 0.00 H new ATOM 237 N GLU A 17 2.074 13.770 -1.835 1.00 0.00 N ATOM 238 CA GLU A 17 1.320 14.902 -2.368 1.00 0.00 C ATOM 239 C GLU A 17 -0.124 14.534 -2.738 1.00 0.00 C ATOM 240 O GLU A 17 -0.918 15.419 -3.053 1.00 0.00 O ATOM 241 CB GLU A 17 2.060 15.435 -3.603 1.00 0.00 C ATOM 242 CG GLU A 17 3.430 16.028 -3.239 1.00 0.00 C ATOM 243 CD GLU A 17 4.234 16.366 -4.489 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.922 17.410 -5.101 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.139 15.568 -4.823 1.00 0.00 O ATOM 0 H GLU A 17 2.700 13.338 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 17 1.254 15.664 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.194 14.627 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.452 16.198 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.292 16.927 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.986 15.318 -2.627 1.00 0.00 H new ATOM 252 N SER A 18 -0.472 13.249 -2.721 1.00 0.00 N ATOM 253 CA SER A 18 -1.784 12.744 -3.087 1.00 0.00 C ATOM 254 C SER A 18 -2.915 13.388 -2.281 1.00 0.00 C ATOM 255 O SER A 18 -2.826 13.509 -1.061 1.00 0.00 O ATOM 256 CB SER A 18 -1.769 11.238 -2.857 1.00 0.00 C ATOM 257 OG SER A 18 -0.522 10.776 -3.327 1.00 0.00 O ATOM 0 H SER A 18 0.175 12.511 -2.443 1.00 0.00 H new ATOM 0 HA SER A 18 -1.980 12.991 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.896 11.005 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.588 10.755 -3.390 1.00 0.00 H new ATOM 0 HG SER A 18 -0.630 9.884 -3.717 1.00 0.00 H new ATOM 263 N SER A 19 -3.992 13.768 -2.970 1.00 0.00 N ATOM 264 CA SER A 19 -5.179 14.366 -2.388 1.00 0.00 C ATOM 265 C SER A 19 -6.061 13.275 -1.779 1.00 0.00 C ATOM 266 O SER A 19 -6.320 13.261 -0.578 1.00 0.00 O ATOM 267 CB SER A 19 -5.908 15.099 -3.518 1.00 0.00 C ATOM 268 OG SER A 19 -5.890 14.278 -4.679 1.00 0.00 O ATOM 0 H SER A 19 -4.057 13.661 -3.982 1.00 0.00 H new ATOM 0 HA SER A 19 -4.926 15.063 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.935 15.318 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.424 16.054 -3.723 1.00 0.00 H new ATOM 0 HG SER A 19 -6.355 14.735 -5.410 1.00 0.00 H new ATOM 274 N VAL A 20 -6.532 12.362 -2.630 1.00 0.00 N ATOM 275 CA VAL A 20 -7.388 11.255 -2.216 1.00 0.00 C ATOM 276 C VAL A 20 -6.513 10.162 -1.584 1.00 0.00 C ATOM 277 O VAL A 20 -5.308 10.134 -1.849 1.00 0.00 O ATOM 278 CB VAL A 20 -8.200 10.739 -3.420 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.969 11.878 -4.102 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.351 9.993 -4.460 1.00 0.00 C ATOM 0 H VAL A 20 -6.328 12.372 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.109 11.585 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.905 10.018 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.532 11.482 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.657 12.331 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.265 12.631 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.989 9.659 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.582 10.661 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.879 9.129 -3.992 1.00 0.00 H new ATOM 290 N PRO A 21 -7.073 9.282 -0.733 1.00 0.00 N ATOM 291 CA PRO A 21 -6.311 8.235 -0.071 1.00 0.00 C ATOM 292 C PRO A 21 -5.525 7.343 -1.027 1.00 0.00 C ATOM 293 O PRO A 21 -5.868 7.203 -2.198 1.00 0.00 O ATOM 294 CB PRO A 21 -7.314 7.408 0.721 1.00 0.00 C ATOM 295 CG PRO A 21 -8.388 8.431 1.047 1.00 0.00 C ATOM 296 CD PRO A 21 -8.433 9.304 -0.210 1.00 0.00 C ATOM 0 HA PRO A 21 -5.555 8.697 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.708 6.577 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.870 6.983 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.350 7.957 1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.134 9.013 1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.142 8.911 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.749 10.320 0.026 1.00 0.00 H new ATOM 304 N VAL A 22 -4.490 6.707 -0.483 1.00 0.00 N ATOM 305 CA VAL A 22 -3.528 5.886 -1.203 1.00 0.00 C ATOM 306 C VAL A 22 -3.163 4.639 -0.388 1.00 0.00 C ATOM 307 O VAL A 22 -2.596 4.758 0.697 1.00 0.00 O ATOM 308 CB VAL A 22 -2.269 6.730 -1.468 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.231 5.928 -2.254 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.587 8.016 -2.235 1.00 0.00 C ATOM 0 H VAL A 22 -4.293 6.754 0.517 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.964 5.555 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.867 7.000 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.350 6.546 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.946 5.044 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.655 5.622 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.668 8.579 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.035 7.765 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.285 8.621 -1.657 1.00 0.00 H new ATOM 320 N LEU A 23 -3.447 3.445 -0.915 1.00 0.00 N ATOM 321 CA LEU A 23 -3.137 2.168 -0.288 1.00 0.00 C ATOM 322 C LEU A 23 -1.787 1.689 -0.812 1.00 0.00 C ATOM 323 O LEU A 23 -1.736 1.033 -1.847 1.00 0.00 O ATOM 324 CB LEU A 23 -4.255 1.175 -0.636 1.00 0.00 C ATOM 325 CG LEU A 23 -4.231 -0.080 0.251 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.657 -0.548 0.537 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.465 -1.228 -0.421 1.00 0.00 C ATOM 0 H LEU A 23 -3.913 3.343 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.076 2.259 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.220 1.670 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.160 0.879 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.726 0.187 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.629 -1.438 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.203 0.243 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.158 -0.783 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.468 -2.100 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.946 -1.482 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.437 -0.919 -0.609 1.00 0.00 H new ATOM 339 N VAL A 24 -0.688 2.021 -0.138 1.00 0.00 N ATOM 340 CA VAL A 24 0.637 1.626 -0.611 1.00 0.00 C ATOM 341 C VAL A 24 1.098 0.387 0.156 1.00 0.00 C ATOM 342 O VAL A 24 1.118 0.396 1.387 1.00 0.00 O ATOM 343 CB VAL A 24 1.628 2.802 -0.527 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.523 3.590 0.776 1.00 0.00 C ATOM 345 CG2 VAL A 24 3.074 2.340 -0.757 1.00 0.00 C ATOM 0 H VAL A 24 -0.688 2.558 0.729 1.00 0.00 H new ATOM 0 HA VAL A 24 0.591 1.358 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 24 1.344 3.481 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.249 4.403 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.518 4.001 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.727 2.929 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.745 3.197 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.346 1.606 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.159 1.889 -1.746 1.00 0.00 H new ATOM 355 N ASP A 25 1.457 -0.682 -0.566 1.00 0.00 N ATOM 356 CA ASP A 25 1.987 -1.906 0.017 1.00 0.00 C ATOM 357 C ASP A 25 3.503 -1.904 -0.108 1.00 0.00 C ATOM 358 O ASP A 25 4.033 -1.814 -1.212 1.00 0.00 O ATOM 359 CB ASP A 25 1.413 -3.153 -0.662 1.00 0.00 C ATOM 360 CG ASP A 25 1.995 -4.427 -0.041 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.192 -4.434 1.196 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.246 -5.373 -0.818 1.00 0.00 O ATOM 0 H ASP A 25 1.384 -0.715 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 25 1.695 -1.938 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.327 -3.159 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.637 -3.128 -1.728 1.00 0.00 H new ATOM 367 N PHE A 26 4.219 -1.991 1.008 1.00 0.00 N ATOM 368 CA PHE A 26 5.667 -2.083 0.972 1.00 0.00 C ATOM 369 C PHE A 26 5.966 -3.543 0.648 1.00 0.00 C ATOM 370 O PHE A 26 5.583 -4.418 1.424 1.00 0.00 O ATOM 371 CB PHE A 26 6.273 -1.662 2.310 1.00 0.00 C ATOM 372 CG PHE A 26 6.158 -0.187 2.674 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.899 0.430 2.818 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.311 0.519 3.068 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.796 1.695 3.415 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.193 1.719 3.789 1.00 0.00 C ATOM 377 CZ PHE A 26 5.929 2.291 3.987 1.00 0.00 C ATOM 0 H PHE A 26 3.817 -1.999 1.946 1.00 0.00 H new ATOM 0 HA PHE A 26 6.104 -1.416 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.798 -2.246 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.329 -1.931 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.010 -0.073 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.289 0.137 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.846 2.209 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.074 2.199 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.828 3.189 4.579 1.00 0.00 H new ATOM 387 N TRP A 27 6.594 -3.806 -0.501 1.00 0.00 N ATOM 388 CA TRP A 27 6.844 -5.160 -0.974 1.00 0.00 C ATOM 389 C TRP A 27 8.286 -5.307 -1.447 1.00 0.00 C ATOM 390 O TRP A 27 9.102 -4.404 -1.284 1.00 0.00 O ATOM 391 CB TRP A 27 5.885 -5.472 -2.133 1.00 0.00 C ATOM 392 CG TRP A 27 6.243 -4.788 -3.413 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.174 -3.462 -3.629 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.887 -5.348 -4.590 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.799 -3.139 -4.817 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.291 -4.272 -5.434 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.222 -6.655 -5.003 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.038 -4.484 -6.602 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.877 -6.874 -6.228 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.302 -5.795 -7.018 1.00 0.00 C ATOM 0 H TRP A 27 6.942 -3.080 -1.127 1.00 0.00 H new ATOM 0 HA TRP A 27 6.678 -5.859 -0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.869 -6.549 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.875 -5.179 -1.846 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.698 -2.752 -2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.885 -2.193 -5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.973 -7.495 -4.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.406 -3.645 -7.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.055 -7.885 -6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.830 -5.975 -7.943 1.00 0.00 H new ATOM 411 N ALA A 28 8.592 -6.437 -2.080 1.00 0.00 N ATOM 412 CA ALA A 28 9.859 -6.704 -2.743 1.00 0.00 C ATOM 413 C ALA A 28 9.681 -7.989 -3.552 1.00 0.00 C ATOM 414 O ALA A 28 8.878 -8.828 -3.152 1.00 0.00 O ATOM 415 CB ALA A 28 10.990 -6.894 -1.733 1.00 0.00 C ATOM 0 H ALA A 28 7.939 -7.218 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 28 10.126 -5.859 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.922 -7.092 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.098 -5.990 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.758 -7.736 -1.081 1.00 0.00 H new ATOM 421 N PRO A 29 10.391 -8.193 -4.668 1.00 0.00 N ATOM 422 CA PRO A 29 10.277 -9.410 -5.463 1.00 0.00 C ATOM 423 C PRO A 29 10.510 -10.684 -4.649 1.00 0.00 C ATOM 424 O PRO A 29 9.792 -11.664 -4.834 1.00 0.00 O ATOM 425 CB PRO A 29 11.265 -9.239 -6.618 1.00 0.00 C ATOM 426 CG PRO A 29 12.194 -8.108 -6.168 1.00 0.00 C ATOM 427 CD PRO A 29 11.266 -7.241 -5.324 1.00 0.00 C ATOM 0 HA PRO A 29 9.261 -9.542 -5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.821 -10.158 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.751 -8.985 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.039 -8.482 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.605 -7.559 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.824 -6.648 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.702 -6.542 -5.942 1.00 0.00 H new ATOM 435 N TRP A 30 11.480 -10.684 -3.731 1.00 0.00 N ATOM 436 CA TRP A 30 11.710 -11.845 -2.878 1.00 0.00 C ATOM 437 C TRP A 30 10.556 -12.047 -1.886 1.00 0.00 C ATOM 438 O TRP A 30 10.417 -13.127 -1.312 1.00 0.00 O ATOM 439 CB TRP A 30 13.046 -11.691 -2.139 1.00 0.00 C ATOM 440 CG TRP A 30 13.249 -10.423 -1.363 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.048 -9.404 -1.746 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.695 -10.024 -0.069 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.024 -8.404 -0.801 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.192 -8.725 0.251 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.835 -10.628 0.875 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.827 -8.050 1.427 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.442 -9.950 2.043 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.928 -8.661 2.317 1.00 0.00 C ATOM 0 H TRP A 30 12.111 -9.900 -3.563 1.00 0.00 H new ATOM 0 HA TRP A 30 11.755 -12.733 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.152 -12.530 -1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.850 -11.774 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.622 -9.378 -2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.554 -7.535 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.472 -11.630 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.232 -7.073 1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.761 -10.424 2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.612 -8.141 3.209 1.00 0.00 H new ATOM 459 N CYS A 31 9.709 -11.038 -1.667 1.00 0.00 N ATOM 460 CA CYS A 31 8.622 -11.133 -0.707 1.00 0.00 C ATOM 461 C CYS A 31 7.452 -11.943 -1.270 1.00 0.00 C ATOM 462 O CYS A 31 6.446 -11.379 -1.702 1.00 0.00 O ATOM 463 CB CYS A 31 8.148 -9.741 -0.297 1.00 0.00 C ATOM 464 SG CYS A 31 6.904 -9.827 1.005 1.00 0.00 S ATOM 0 H CYS A 31 9.762 -10.141 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 31 9.001 -11.652 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.998 -9.152 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.735 -9.226 -1.164 1.00 0.00 H new ATOM 469 N GLY A 32 7.568 -13.274 -1.242 1.00 0.00 N ATOM 470 CA GLY A 32 6.494 -14.186 -1.638 1.00 0.00 C ATOM 471 C GLY A 32 5.139 -13.732 -1.072 1.00 0.00 C ATOM 472 O GLY A 32 4.213 -13.484 -1.845 1.00 0.00 O ATOM 0 H GLY A 32 8.418 -13.751 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.438 -14.235 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.720 -15.192 -1.285 1.00 0.00 H new ATOM 476 N PRO A 33 5.021 -13.587 0.262 1.00 0.00 N ATOM 477 CA PRO A 33 3.836 -13.072 0.932 1.00 0.00 C ATOM 478 C PRO A 33 3.261 -11.798 0.303 1.00 0.00 C ATOM 479 O PRO A 33 2.051 -11.607 0.307 1.00 0.00 O ATOM 480 CB PRO A 33 4.285 -12.824 2.374 1.00 0.00 C ATOM 481 CG PRO A 33 5.262 -13.965 2.606 1.00 0.00 C ATOM 482 CD PRO A 33 5.988 -14.032 1.259 1.00 0.00 C ATOM 0 HA PRO A 33 3.017 -13.787 0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.761 -11.850 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.449 -12.856 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.945 -13.757 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.752 -14.899 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.871 -13.393 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.328 -15.046 1.048 1.00 0.00 H new ATOM 490 N CYS A 34 4.111 -10.918 -0.225 1.00 0.00 N ATOM 491 CA CYS A 34 3.669 -9.681 -0.857 1.00 0.00 C ATOM 492 C CYS A 34 3.151 -10.006 -2.257 1.00 0.00 C ATOM 493 O CYS A 34 2.021 -9.682 -2.626 1.00 0.00 O ATOM 494 CB CYS A 34 4.799 -8.658 -0.956 1.00 0.00 C ATOM 495 SG CYS A 34 5.684 -8.210 0.555 1.00 0.00 S ATOM 0 H CYS A 34 5.123 -11.045 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 34 2.881 -9.243 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.530 -9.038 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.384 -7.744 -1.382 1.00 0.00 H new ATOM 500 N ARG A 35 4.004 -10.672 -3.041 1.00 0.00 N ATOM 501 CA ARG A 35 3.725 -11.049 -4.417 1.00 0.00 C ATOM 502 C ARG A 35 2.353 -11.687 -4.549 1.00 0.00 C ATOM 503 O ARG A 35 1.583 -11.339 -5.441 1.00 0.00 O ATOM 504 CB ARG A 35 4.787 -12.047 -4.892 1.00 0.00 C ATOM 505 CG ARG A 35 4.559 -12.569 -6.320 1.00 0.00 C ATOM 506 CD ARG A 35 4.427 -11.464 -7.378 1.00 0.00 C ATOM 507 NE ARG A 35 4.019 -12.025 -8.671 1.00 0.00 N ATOM 508 CZ ARG A 35 2.758 -12.340 -9.011 1.00 0.00 C ATOM 509 NH1 ARG A 35 1.744 -12.176 -8.151 1.00 0.00 N ATOM 510 NH2 ARG A 35 2.517 -12.830 -10.231 1.00 0.00 N ATOM 0 H ARG A 35 4.927 -10.968 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 35 3.746 -10.147 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.766 -11.571 -4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.808 -12.893 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.388 -13.222 -6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.656 -13.179 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.695 -10.726 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.378 -10.943 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 35 4.749 -12.188 -9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.922 -11.805 -7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.794 -12.422 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.285 -12.960 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.565 -13.074 -10.504 1.00 0.00 H new ATOM 524 N ILE A 36 2.082 -12.655 -3.679 1.00 0.00 N ATOM 525 CA ILE A 36 0.827 -13.393 -3.733 1.00 0.00 C ATOM 526 C ILE A 36 -0.389 -12.528 -3.360 1.00 0.00 C ATOM 527 O ILE A 36 -1.477 -12.842 -3.837 1.00 0.00 O ATOM 528 CB ILE A 36 0.914 -14.705 -2.927 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.174 -14.493 -1.427 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.022 -15.586 -3.525 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.124 -14.545 -0.618 1.00 0.00 C ATOM 0 H ILE A 36 2.712 -12.945 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 36 0.662 -13.676 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.059 -15.190 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.860 -15.258 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.661 -13.530 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.091 -16.516 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.788 -15.809 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.974 -15.058 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.099 -14.391 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.800 -13.763 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.597 -15.518 -0.751 1.00 0.00 H new ATOM 543 N ILE A 37 -0.263 -11.461 -2.551 1.00 0.00 N ATOM 544 CA ILE A 37 -1.424 -10.610 -2.262 1.00 0.00 C ATOM 545 C ILE A 37 -1.561 -9.512 -3.320 1.00 0.00 C ATOM 546 O ILE A 37 -2.669 -9.062 -3.573 1.00 0.00 O ATOM 547 CB ILE A 37 -1.406 -10.010 -0.842 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.192 -9.105 -0.590 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.470 -11.144 0.190 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.310 -8.310 0.709 1.00 0.00 C ATOM 0 H ILE A 37 0.605 -11.175 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.300 -11.257 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.283 -9.370 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.711 -9.715 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.079 -8.414 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.457 -10.722 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.388 -11.714 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.610 -11.802 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.576 -7.688 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.196 -7.676 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.394 -8.998 1.550 1.00 0.00 H new ATOM 562 N ALA A 38 -0.477 -9.093 -3.977 1.00 0.00 N ATOM 563 CA ALA A 38 -0.492 -8.038 -4.993 1.00 0.00 C ATOM 564 C ALA A 38 -1.717 -8.069 -5.938 1.00 0.00 C ATOM 565 O ALA A 38 -2.319 -7.017 -6.151 1.00 0.00 O ATOM 566 CB ALA A 38 0.816 -8.074 -5.793 1.00 0.00 C ATOM 0 H ALA A 38 0.451 -9.484 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.580 -7.096 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.802 -7.288 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.659 -7.916 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.918 -9.044 -6.280 1.00 0.00 H new ATOM 572 N PRO A 39 -2.142 -9.215 -6.505 1.00 0.00 N ATOM 573 CA PRO A 39 -3.311 -9.262 -7.375 1.00 0.00 C ATOM 574 C PRO A 39 -4.573 -8.881 -6.594 1.00 0.00 C ATOM 575 O PRO A 39 -5.436 -8.159 -7.089 1.00 0.00 O ATOM 576 CB PRO A 39 -3.403 -10.705 -7.896 1.00 0.00 C ATOM 577 CG PRO A 39 -2.034 -11.307 -7.579 1.00 0.00 C ATOM 578 CD PRO A 39 -1.644 -10.562 -6.307 1.00 0.00 C ATOM 0 HA PRO A 39 -3.223 -8.555 -8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.204 -11.256 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.611 -10.730 -8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.089 -12.384 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.319 -11.140 -8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.089 -11.023 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.564 -10.568 -6.160 1.00 0.00 H new ATOM 586 N VAL A 40 -4.660 -9.381 -5.358 1.00 0.00 N ATOM 587 CA VAL A 40 -5.753 -9.137 -4.433 1.00 0.00 C ATOM 588 C VAL A 40 -5.790 -7.633 -4.134 1.00 0.00 C ATOM 589 O VAL A 40 -6.823 -6.987 -4.293 1.00 0.00 O ATOM 590 CB VAL A 40 -5.561 -9.998 -3.167 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.753 -9.857 -2.231 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.382 -11.483 -3.515 1.00 0.00 C ATOM 0 H VAL A 40 -3.940 -9.989 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.714 -9.424 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.658 -9.637 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.595 -10.473 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.860 -8.814 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.658 -10.183 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.249 -12.058 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.265 -11.842 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.504 -11.605 -4.150 1.00 0.00 H new ATOM 602 N VAL A 41 -4.643 -7.073 -3.736 1.00 0.00 N ATOM 603 CA VAL A 41 -4.458 -5.649 -3.471 1.00 0.00 C ATOM 604 C VAL A 41 -5.018 -4.846 -4.656 1.00 0.00 C ATOM 605 O VAL A 41 -5.774 -3.891 -4.476 1.00 0.00 O ATOM 606 CB VAL A 41 -2.952 -5.368 -3.245 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.621 -3.870 -3.183 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.406 -6.065 -1.990 1.00 0.00 C ATOM 0 H VAL A 41 -3.794 -7.618 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.995 -5.347 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.458 -5.787 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.551 -3.740 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.908 -3.395 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.169 -3.410 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.346 -5.835 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.948 -5.712 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.535 -7.143 -2.087 1.00 0.00 H new ATOM 618 N ASP A 42 -4.660 -5.256 -5.876 1.00 0.00 N ATOM 619 CA ASP A 42 -5.057 -4.563 -7.093 1.00 0.00 C ATOM 620 C ASP A 42 -6.544 -4.654 -7.381 1.00 0.00 C ATOM 621 O ASP A 42 -7.187 -3.628 -7.569 1.00 0.00 O ATOM 622 CB ASP A 42 -4.292 -5.141 -8.277 1.00 0.00 C ATOM 623 CG ASP A 42 -4.152 -4.164 -9.444 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.537 -2.982 -9.305 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.621 -4.597 -10.489 1.00 0.00 O ATOM 0 H ASP A 42 -4.084 -6.082 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.821 -3.510 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.299 -5.444 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.800 -6.040 -8.625 1.00 0.00 H new ATOM 630 N GLU A 43 -7.105 -5.864 -7.460 1.00 0.00 N ATOM 631 CA GLU A 43 -8.522 -5.997 -7.747 1.00 0.00 C ATOM 632 C GLU A 43 -9.332 -5.302 -6.651 1.00 0.00 C ATOM 633 O GLU A 43 -10.377 -4.716 -6.935 1.00 0.00 O ATOM 634 CB GLU A 43 -8.897 -7.471 -7.918 1.00 0.00 C ATOM 635 CG GLU A 43 -8.877 -8.260 -6.605 1.00 0.00 C ATOM 636 CD GLU A 43 -9.199 -9.737 -6.785 1.00 0.00 C ATOM 637 OE1 GLU A 43 -9.193 -10.200 -7.948 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.443 -10.386 -5.744 1.00 0.00 O ATOM 0 H GLU A 43 -6.606 -6.744 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.759 -5.506 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.892 -7.536 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.206 -7.935 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.893 -8.163 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.596 -7.820 -5.914 1.00 0.00 H new ATOM 645 N ILE A 44 -8.828 -5.314 -5.411 1.00 0.00 N ATOM 646 CA ILE A 44 -9.530 -4.630 -4.324 1.00 0.00 C ATOM 647 C ILE A 44 -9.503 -3.137 -4.635 1.00 0.00 C ATOM 648 O ILE A 44 -10.532 -2.460 -4.600 1.00 0.00 O ATOM 649 CB ILE A 44 -8.921 -4.976 -2.951 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.420 -6.376 -2.554 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.350 -3.975 -1.872 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.746 -6.909 -1.288 1.00 0.00 C ATOM 0 H ILE A 44 -7.960 -5.777 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.566 -4.963 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.834 -4.941 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.498 -6.342 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.238 -7.068 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.900 -4.253 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.019 -2.975 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.436 -3.985 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.138 -7.900 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.670 -6.973 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.950 -6.235 -0.456 1.00 0.00 H new ATOM 664 N ALA A 45 -8.324 -2.608 -4.960 1.00 0.00 N ATOM 665 CA ALA A 45 -8.198 -1.215 -5.356 1.00 0.00 C ATOM 666 C ALA A 45 -9.097 -0.915 -6.560 1.00 0.00 C ATOM 667 O ALA A 45 -9.629 0.182 -6.662 1.00 0.00 O ATOM 668 CB ALA A 45 -6.739 -0.920 -5.658 1.00 0.00 C ATOM 0 H ALA A 45 -7.446 -3.127 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.526 -0.567 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.633 0.123 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.138 -1.106 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.397 -1.565 -6.467 1.00 0.00 H new ATOM 674 N GLY A 46 -9.277 -1.885 -7.460 1.00 0.00 N ATOM 675 CA GLY A 46 -10.186 -1.792 -8.588 1.00 0.00 C ATOM 676 C GLY A 46 -11.601 -1.551 -8.074 1.00 0.00 C ATOM 677 O GLY A 46 -12.236 -0.565 -8.440 1.00 0.00 O ATOM 0 H GLY A 46 -8.780 -2.775 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.883 -0.979 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.151 -2.710 -9.175 1.00 0.00 H new ATOM 681 N GLU A 47 -12.093 -2.441 -7.205 1.00 0.00 N ATOM 682 CA GLU A 47 -13.406 -2.302 -6.597 1.00 0.00 C ATOM 683 C GLU A 47 -13.563 -0.918 -5.959 1.00 0.00 C ATOM 684 O GLU A 47 -14.619 -0.301 -6.072 1.00 0.00 O ATOM 685 CB GLU A 47 -13.600 -3.400 -5.542 1.00 0.00 C ATOM 686 CG GLU A 47 -13.722 -4.800 -6.157 1.00 0.00 C ATOM 687 CD GLU A 47 -13.796 -5.872 -5.072 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.834 -5.898 -4.375 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.811 -6.633 -4.951 1.00 0.00 O ATOM 0 H GLU A 47 -11.586 -3.275 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.167 -2.406 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.759 -3.385 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.496 -3.184 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.613 -4.849 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.867 -4.992 -6.805 1.00 0.00 H new ATOM 696 N TYR A 48 -12.512 -0.443 -5.288 1.00 0.00 N ATOM 697 CA TYR A 48 -12.499 0.832 -4.575 1.00 0.00 C ATOM 698 C TYR A 48 -11.850 1.975 -5.381 1.00 0.00 C ATOM 699 O TYR A 48 -11.361 2.943 -4.790 1.00 0.00 O ATOM 700 CB TYR A 48 -11.759 0.611 -3.245 1.00 0.00 C ATOM 701 CG TYR A 48 -12.234 -0.549 -2.380 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.577 -0.979 -2.405 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.335 -1.159 -1.483 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.027 -1.953 -1.499 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.798 -2.102 -0.549 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.147 -2.481 -0.543 1.00 0.00 C ATOM 707 OH TYR A 48 -13.596 -3.363 0.389 1.00 0.00 O ATOM 0 H TYR A 48 -11.627 -0.947 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.528 1.149 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.702 0.460 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.835 1.526 -2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.263 -0.557 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.287 -0.901 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.051 -2.295 -1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.113 -2.535 0.165 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.553 -3.217 0.543 1.00 0.00 H new ATOM 717 N LYS A 49 -11.864 1.889 -6.717 1.00 0.00 N ATOM 718 CA LYS A 49 -11.215 2.881 -7.565 1.00 0.00 C ATOM 719 C LYS A 49 -11.806 4.272 -7.370 1.00 0.00 C ATOM 720 O LYS A 49 -12.849 4.444 -6.739 1.00 0.00 O ATOM 721 CB LYS A 49 -11.275 2.453 -9.040 1.00 0.00 C ATOM 722 CG LYS A 49 -12.679 2.217 -9.627 1.00 0.00 C ATOM 723 CD LYS A 49 -13.403 3.510 -10.029 1.00 0.00 C ATOM 724 CE LYS A 49 -14.628 3.195 -10.893 1.00 0.00 C ATOM 725 NZ LYS A 49 -15.340 4.426 -11.281 1.00 0.00 N ATOM 0 H LYS A 49 -12.322 1.136 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.169 2.937 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.778 3.217 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.698 1.535 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.594 1.571 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.285 1.684 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.711 4.054 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.721 4.159 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.316 2.655 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.304 2.539 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.165 4.181 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.658 4.927 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.701 5.040 -11.825 1.00 0.00 H new ATOM 739 N ASP A 50 -11.125 5.268 -7.939 1.00 0.00 N ATOM 740 CA ASP A 50 -11.460 6.691 -7.902 1.00 0.00 C ATOM 741 C ASP A 50 -11.168 7.292 -6.534 1.00 0.00 C ATOM 742 O ASP A 50 -10.429 8.267 -6.429 1.00 0.00 O ATOM 743 CB ASP A 50 -12.923 6.936 -8.284 1.00 0.00 C ATOM 744 CG ASP A 50 -13.194 8.421 -8.475 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.918 8.906 -9.592 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.675 9.035 -7.499 1.00 0.00 O ATOM 0 H ASP A 50 -10.273 5.091 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.828 7.186 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.158 6.398 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.577 6.540 -7.507 1.00 0.00 H new ATOM 751 N LYS A 51 -11.718 6.683 -5.484 1.00 0.00 N ATOM 752 CA LYS A 51 -11.528 7.201 -4.134 1.00 0.00 C ATOM 753 C LYS A 51 -10.151 6.801 -3.629 1.00 0.00 C ATOM 754 O LYS A 51 -9.372 7.641 -3.186 1.00 0.00 O ATOM 755 CB LYS A 51 -12.550 6.647 -3.123 1.00 0.00 C ATOM 756 CG LYS A 51 -14.031 6.959 -3.394 1.00 0.00 C ATOM 757 CD LYS A 51 -14.718 6.098 -4.467 1.00 0.00 C ATOM 758 CE LYS A 51 -14.665 4.589 -4.180 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.252 3.813 -5.286 1.00 0.00 N ATOM 0 H LYS A 51 -12.291 5.841 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.652 8.282 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.433 5.564 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.296 7.034 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.582 6.847 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.113 8.005 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.760 6.405 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.247 6.292 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.630 4.282 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.202 4.373 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.404 2.831 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.162 4.235 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.605 3.824 -6.100 1.00 0.00 H new ATOM 773 N LEU A 52 -9.886 5.498 -3.664 1.00 0.00 N ATOM 774 CA LEU A 52 -8.694 4.906 -3.096 1.00 0.00 C ATOM 775 C LEU A 52 -7.668 4.618 -4.188 1.00 0.00 C ATOM 776 O LEU A 52 -7.889 3.759 -5.040 1.00 0.00 O ATOM 777 CB LEU A 52 -9.125 3.627 -2.362 1.00 0.00 C ATOM 778 CG LEU A 52 -8.014 2.943 -1.557 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.581 3.820 -0.381 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.549 1.606 -1.034 1.00 0.00 C ATOM 0 H LEU A 52 -10.510 4.817 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.213 5.587 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.946 3.871 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.513 2.918 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.147 2.782 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.792 3.316 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.209 4.773 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.434 3.996 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.772 1.104 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.415 1.785 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.841 0.977 -1.875 1.00 0.00 H new ATOM 792 N LYS A 53 -6.530 5.310 -4.152 1.00 0.00 N ATOM 793 CA LYS A 53 -5.409 5.004 -5.026 1.00 0.00 C ATOM 794 C LYS A 53 -4.737 3.789 -4.395 1.00 0.00 C ATOM 795 O LYS A 53 -4.988 3.477 -3.232 1.00 0.00 O ATOM 796 CB LYS A 53 -4.443 6.198 -5.112 1.00 0.00 C ATOM 797 CG LYS A 53 -4.203 6.682 -6.549 1.00 0.00 C ATOM 798 CD LYS A 53 -3.461 5.636 -7.400 1.00 0.00 C ATOM 799 CE LYS A 53 -3.080 6.181 -8.782 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.064 7.245 -8.699 1.00 0.00 N ATOM 0 H LYS A 53 -6.364 6.093 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.726 4.801 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.841 7.022 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.489 5.917 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.160 6.915 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.625 7.606 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.560 5.316 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.090 4.754 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.702 5.367 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.971 6.569 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.701 7.454 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.492 8.103 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.281 6.930 -8.091 1.00 0.00 H new ATOM 814 N CYS A 54 -3.894 3.079 -5.136 1.00 0.00 N ATOM 815 CA CYS A 54 -3.246 1.893 -4.613 1.00 0.00 C ATOM 816 C CYS A 54 -1.860 1.811 -5.210 1.00 0.00 C ATOM 817 O CYS A 54 -1.651 2.259 -6.339 1.00 0.00 O ATOM 818 CB CYS A 54 -4.091 0.679 -4.947 1.00 0.00 C ATOM 819 SG CYS A 54 -3.265 -0.794 -4.325 1.00 0.00 S ATOM 0 H CYS A 54 -3.647 3.308 -6.099 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.149 1.933 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.081 0.774 -4.500 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.234 0.604 -6.025 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.546 -0.483 -3.288 1.00 0.00 H new ATOM 825 N VAL A 55 -0.897 1.302 -4.447 1.00 0.00 N ATOM 826 CA VAL A 55 0.477 1.321 -4.905 1.00 0.00 C ATOM 827 C VAL A 55 1.298 0.225 -4.247 1.00 0.00 C ATOM 828 O VAL A 55 0.861 -0.410 -3.290 1.00 0.00 O ATOM 829 CB VAL A 55 1.115 2.705 -4.642 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.766 3.209 -5.928 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.164 3.798 -4.128 1.00 0.00 C ATOM 0 H VAL A 55 -1.043 0.881 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 55 0.472 1.134 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 55 1.831 2.532 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.218 4.185 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.536 2.506 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.010 3.297 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.720 4.724 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.628 3.964 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.275 3.483 -3.182 1.00 0.00 H new ATOM 841 N LYS A 56 2.503 0.019 -4.776 1.00 0.00 N ATOM 842 CA LYS A 56 3.440 -0.983 -4.322 1.00 0.00 C ATOM 843 C LYS A 56 4.845 -0.376 -4.245 1.00 0.00 C ATOM 844 O LYS A 56 5.477 -0.121 -5.272 1.00 0.00 O ATOM 845 CB LYS A 56 3.370 -2.154 -5.295 1.00 0.00 C ATOM 846 CG LYS A 56 1.979 -2.794 -5.257 1.00 0.00 C ATOM 847 CD LYS A 56 1.978 -4.112 -6.027 1.00 0.00 C ATOM 848 CE LYS A 56 2.032 -3.861 -7.539 1.00 0.00 C ATOM 849 NZ LYS A 56 1.951 -5.121 -8.296 1.00 0.00 N ATOM 0 H LYS A 56 2.857 0.569 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 56 3.193 -1.339 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.592 -1.810 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.126 -2.896 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.681 -2.969 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.246 -2.113 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.833 -4.716 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.082 -4.682 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.211 -3.206 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.957 -3.343 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.990 -4.917 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.749 -5.735 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.057 -5.603 -8.074 1.00 0.00 H new ATOM 863 N LEU A 57 5.339 -0.140 -3.028 1.00 0.00 N ATOM 864 CA LEU A 57 6.663 0.438 -2.806 1.00 0.00 C ATOM 865 C LEU A 57 7.704 -0.671 -2.765 1.00 0.00 C ATOM 866 O LEU A 57 7.673 -1.533 -1.887 1.00 0.00 O ATOM 867 CB LEU A 57 6.714 1.265 -1.513 1.00 0.00 C ATOM 868 CG LEU A 57 8.092 1.925 -1.294 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.046 3.420 -1.623 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.541 1.730 0.156 1.00 0.00 C ATOM 0 H LEU A 57 4.830 -0.345 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 57 6.880 1.114 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.945 2.037 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.482 0.622 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 57 8.806 1.447 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.030 3.859 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.757 3.554 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.318 3.912 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.514 2.199 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.814 2.188 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.615 0.665 0.374 1.00 0.00 H new ATOM 882 N ASN A 58 8.647 -0.658 -3.711 1.00 0.00 N ATOM 883 CA ASN A 58 9.710 -1.650 -3.672 1.00 0.00 C ATOM 884 C ASN A 58 10.671 -1.292 -2.537 1.00 0.00 C ATOM 885 O ASN A 58 11.488 -0.384 -2.648 1.00 0.00 O ATOM 886 CB ASN A 58 10.427 -1.772 -5.010 1.00 0.00 C ATOM 887 CG ASN A 58 11.432 -2.922 -4.924 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.298 -2.953 -4.055 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.299 -3.916 -5.789 1.00 0.00 N ATOM 0 H ASN A 58 8.693 0.005 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 58 9.277 -2.632 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.708 -1.957 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.939 -0.840 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.921 -4.722 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.574 -3.875 -6.505 1.00 0.00 H new ATOM 896 N THR A 59 10.559 -2.041 -1.447 1.00 0.00 N ATOM 897 CA THR A 59 11.298 -1.871 -0.205 1.00 0.00 C ATOM 898 C THR A 59 12.806 -1.903 -0.428 1.00 0.00 C ATOM 899 O THR A 59 13.553 -1.082 0.094 1.00 0.00 O ATOM 900 CB THR A 59 10.895 -3.030 0.721 1.00 0.00 C ATOM 901 OG1 THR A 59 9.513 -2.937 0.996 1.00 0.00 O ATOM 902 CG2 THR A 59 11.688 -3.031 2.024 1.00 0.00 C ATOM 0 H THR A 59 9.912 -2.829 -1.405 1.00 0.00 H new ATOM 0 HA THR A 59 11.059 -0.900 0.228 1.00 0.00 H new ATOM 0 HB THR A 59 11.120 -3.966 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.008 -3.406 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.367 -3.868 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.751 -3.129 1.803 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.513 -2.096 2.557 1.00 0.00 H new ATOM 910 N ASP A 60 13.233 -2.895 -1.199 1.00 0.00 N ATOM 911 CA ASP A 60 14.616 -3.248 -1.455 1.00 0.00 C ATOM 912 C ASP A 60 15.313 -2.141 -2.257 1.00 0.00 C ATOM 913 O ASP A 60 16.472 -1.808 -2.026 1.00 0.00 O ATOM 914 CB ASP A 60 14.534 -4.592 -2.180 1.00 0.00 C ATOM 915 CG ASP A 60 15.828 -5.384 -2.190 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.804 -4.903 -2.801 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.780 -6.487 -1.599 1.00 0.00 O ATOM 0 H ASP A 60 12.582 -3.508 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 60 15.223 -3.342 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.757 -5.196 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.223 -4.416 -3.210 1.00 0.00 H new ATOM 922 N GLU A 61 14.548 -1.544 -3.175 1.00 0.00 N ATOM 923 CA GLU A 61 14.934 -0.437 -4.033 1.00 0.00 C ATOM 924 C GLU A 61 14.742 0.908 -3.320 1.00 0.00 C ATOM 925 O GLU A 61 15.395 1.889 -3.670 1.00 0.00 O ATOM 926 CB GLU A 61 14.051 -0.509 -5.282 1.00 0.00 C ATOM 927 CG GLU A 61 14.431 0.495 -6.372 1.00 0.00 C ATOM 928 CD GLU A 61 13.490 0.372 -7.565 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.299 0.704 -7.376 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.971 -0.063 -8.633 1.00 0.00 O ATOM 0 H GLU A 61 13.588 -1.843 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 61 15.990 -0.511 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.105 -1.516 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.014 -0.339 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.389 1.508 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.458 0.321 -6.692 1.00 0.00 H new ATOM 937 N SER A 62 13.824 0.973 -2.348 1.00 0.00 N ATOM 938 CA SER A 62 13.461 2.166 -1.596 1.00 0.00 C ATOM 939 C SER A 62 13.665 1.975 -0.083 1.00 0.00 C ATOM 940 O SER A 62 12.742 2.245 0.692 1.00 0.00 O ATOM 941 CB SER A 62 11.998 2.483 -1.928 1.00 0.00 C ATOM 942 OG SER A 62 11.710 3.829 -1.621 1.00 0.00 O ATOM 0 H SER A 62 13.293 0.153 -2.056 1.00 0.00 H new ATOM 0 HA SER A 62 14.107 2.997 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.808 2.295 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.338 1.824 -1.363 1.00 0.00 H new ATOM 0 HG SER A 62 11.922 4.003 -0.680 1.00 0.00 H new ATOM 948 N PRO A 63 14.876 1.582 0.354 1.00 0.00 N ATOM 949 CA PRO A 63 15.215 1.393 1.755 1.00 0.00 C ATOM 950 C PRO A 63 15.028 2.687 2.543 1.00 0.00 C ATOM 951 O PRO A 63 14.823 2.651 3.753 1.00 0.00 O ATOM 952 CB PRO A 63 16.672 0.924 1.787 1.00 0.00 C ATOM 953 CG PRO A 63 17.242 1.402 0.455 1.00 0.00 C ATOM 954 CD PRO A 63 16.035 1.316 -0.473 1.00 0.00 C ATOM 0 HA PRO A 63 14.561 0.657 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.212 1.355 2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.741 -0.159 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.631 2.418 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.061 0.769 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.112 2.043 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.967 0.331 -0.935 1.00 0.00 H new ATOM 962 N ASN A 64 15.107 3.829 1.856 1.00 0.00 N ATOM 963 CA ASN A 64 14.903 5.150 2.441 1.00 0.00 C ATOM 964 C ASN A 64 13.577 5.161 3.200 1.00 0.00 C ATOM 965 O ASN A 64 13.538 5.143 4.427 1.00 0.00 O ATOM 966 CB ASN A 64 14.883 6.219 1.338 1.00 0.00 C ATOM 967 CG ASN A 64 16.238 6.501 0.702 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.210 5.782 0.907 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.293 7.549 -0.111 1.00 0.00 N ATOM 0 H ASN A 64 15.319 3.859 0.859 1.00 0.00 H new ATOM 0 HA ASN A 64 15.720 5.373 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.189 5.905 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.493 7.147 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.164 7.778 -0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.464 8.125 -0.258 1.00 0.00 H new ATOM 976 N VAL A 65 12.481 5.140 2.444 1.00 0.00 N ATOM 977 CA VAL A 65 11.124 5.145 2.958 1.00 0.00 C ATOM 978 C VAL A 65 10.946 4.011 3.966 1.00 0.00 C ATOM 979 O VAL A 65 10.429 4.214 5.065 1.00 0.00 O ATOM 980 CB VAL A 65 10.171 5.023 1.759 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.721 4.835 2.207 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.282 6.274 0.878 1.00 0.00 C ATOM 0 H VAL A 65 12.521 5.118 1.425 1.00 0.00 H new ATOM 0 HA VAL A 65 10.902 6.070 3.490 1.00 0.00 H new ATOM 0 HB VAL A 65 10.463 4.141 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.077 4.753 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.639 3.927 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.411 5.692 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.604 6.183 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.015 7.155 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.305 6.375 0.516 1.00 0.00 H new ATOM 992 N ALA A 66 11.386 2.814 3.575 1.00 0.00 N ATOM 993 CA ALA A 66 11.295 1.624 4.407 1.00 0.00 C ATOM 994 C ALA A 66 11.848 1.869 5.816 1.00 0.00 C ATOM 995 O ALA A 66 11.182 1.566 6.805 1.00 0.00 O ATOM 996 CB ALA A 66 12.051 0.475 3.744 1.00 0.00 C ATOM 0 H ALA A 66 11.817 2.647 2.666 1.00 0.00 H new ATOM 0 HA ALA A 66 10.241 1.365 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.981 -0.415 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.614 0.268 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.098 0.751 3.622 1.00 0.00 H new ATOM 1002 N SER A 67 13.068 2.405 5.903 1.00 0.00 N ATOM 1003 CA SER A 67 13.744 2.668 7.166 1.00 0.00 C ATOM 1004 C SER A 67 13.081 3.826 7.907 1.00 0.00 C ATOM 1005 O SER A 67 12.861 3.732 9.111 1.00 0.00 O ATOM 1006 CB SER A 67 15.237 2.925 6.921 1.00 0.00 C ATOM 1007 OG SER A 67 15.455 4.020 6.056 1.00 0.00 O ATOM 0 H SER A 67 13.617 2.670 5.085 1.00 0.00 H new ATOM 0 HA SER A 67 13.656 1.789 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.733 3.112 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.693 2.031 6.495 1.00 0.00 H new ATOM 0 HG SER A 67 15.250 3.755 5.135 1.00 0.00 H new ATOM 1013 N GLU A 68 12.753 4.903 7.189 1.00 0.00 N ATOM 1014 CA GLU A 68 12.087 6.075 7.750 1.00 0.00 C ATOM 1015 C GLU A 68 10.816 5.658 8.495 1.00 0.00 C ATOM 1016 O GLU A 68 10.584 6.098 9.618 1.00 0.00 O ATOM 1017 CB GLU A 68 11.746 7.061 6.628 1.00 0.00 C ATOM 1018 CG GLU A 68 13.000 7.759 6.084 1.00 0.00 C ATOM 1019 CD GLU A 68 12.760 8.356 4.700 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.610 8.776 4.445 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.733 8.378 3.916 1.00 0.00 O ATOM 0 H GLU A 68 12.946 4.984 6.191 1.00 0.00 H new ATOM 0 HA GLU A 68 12.758 6.560 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.244 6.531 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.046 7.809 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.305 8.547 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.821 7.044 6.034 1.00 0.00 H new ATOM 1028 N TYR A 69 9.991 4.817 7.865 1.00 0.00 N ATOM 1029 CA TYR A 69 8.765 4.330 8.486 1.00 0.00 C ATOM 1030 C TYR A 69 9.077 3.195 9.470 1.00 0.00 C ATOM 1031 O TYR A 69 8.372 3.031 10.463 1.00 0.00 O ATOM 1032 CB TYR A 69 7.780 3.905 7.394 1.00 0.00 C ATOM 1033 CG TYR A 69 6.949 5.076 6.900 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.764 5.413 7.582 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.500 5.989 5.980 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.153 6.661 7.367 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.889 7.239 5.768 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.735 7.589 6.489 1.00 0.00 C ATOM 1039 OH TYR A 69 5.158 8.813 6.327 1.00 0.00 O ATOM 0 H TYR A 69 10.154 4.461 6.923 1.00 0.00 H new ATOM 0 HA TYR A 69 8.298 5.126 9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.328 3.470 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.120 3.128 7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.323 4.710 8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.395 5.729 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.234 6.906 7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.307 7.930 5.051 1.00 0.00 H new ATOM 0 HH TYR A 69 5.681 9.339 5.687 1.00 0.00 H new ATOM 1049 N GLY A 70 10.120 2.411 9.202 1.00 0.00 N ATOM 1050 CA GLY A 70 10.589 1.362 10.093 1.00 0.00 C ATOM 1051 C GLY A 70 9.773 0.087 9.932 1.00 0.00 C ATOM 1052 O GLY A 70 9.339 -0.517 10.913 1.00 0.00 O ATOM 0 H GLY A 70 10.668 2.491 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.639 1.152 9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.528 1.706 11.125 1.00 0.00 H new ATOM 1056 N ILE A 71 9.570 -0.340 8.686 1.00 0.00 N ATOM 1057 CA ILE A 71 8.832 -1.561 8.410 1.00 0.00 C ATOM 1058 C ILE A 71 9.696 -2.780 8.748 1.00 0.00 C ATOM 1059 O ILE A 71 10.513 -3.245 7.950 1.00 0.00 O ATOM 1060 CB ILE A 71 8.348 -1.582 6.956 1.00 0.00 C ATOM 1061 CG1 ILE A 71 9.411 -1.082 5.969 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.095 -0.704 6.835 1.00 0.00 C ATOM 1063 CD1 ILE A 71 9.210 -1.738 4.608 1.00 0.00 C ATOM 0 H ILE A 71 9.908 0.145 7.855 1.00 0.00 H new ATOM 0 HA ILE A 71 7.944 -1.597 9.042 1.00 0.00 H new ATOM 0 HB ILE A 71 8.129 -2.618 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.348 0.002 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.407 -1.310 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.743 -0.713 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.314 -1.093 7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.337 0.318 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.969 -1.377 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.296 -2.820 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.221 -1.487 4.226 1.00 0.00 H new ATOM 1075 N ARG A 72 9.479 -3.339 9.935 1.00 0.00 N ATOM 1076 CA ARG A 72 10.178 -4.508 10.437 1.00 0.00 C ATOM 1077 C ARG A 72 9.583 -5.769 9.791 1.00 0.00 C ATOM 1078 O ARG A 72 8.922 -6.577 10.438 1.00 0.00 O ATOM 1079 CB ARG A 72 10.154 -4.495 11.983 1.00 0.00 C ATOM 1080 CG ARG A 72 8.844 -4.749 12.765 1.00 0.00 C ATOM 1081 CD ARG A 72 7.615 -3.928 12.352 1.00 0.00 C ATOM 1082 NE ARG A 72 7.097 -4.400 11.064 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.302 -3.715 10.234 1.00 0.00 C ATOM 1084 NH1 ARG A 72 5.672 -2.614 10.653 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.161 -4.140 8.976 1.00 0.00 N ATOM 0 H ARG A 72 8.788 -2.976 10.592 1.00 0.00 H new ATOM 0 HA ARG A 72 11.232 -4.500 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.875 -5.240 12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.530 -3.522 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.593 -5.805 12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.038 -4.560 13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.841 -4.010 13.115 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.881 -2.873 12.280 1.00 0.00 H new ATOM 0 HE ARG A 72 7.368 -5.339 10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.795 -2.290 11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.068 -2.098 10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.655 -4.975 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.559 -3.630 8.330 1.00 0.00 H new ATOM 1099 N SER A 73 9.830 -5.907 8.485 1.00 0.00 N ATOM 1100 CA SER A 73 9.386 -6.950 7.559 1.00 0.00 C ATOM 1101 C SER A 73 8.220 -6.427 6.723 1.00 0.00 C ATOM 1102 O SER A 73 7.702 -5.338 6.971 1.00 0.00 O ATOM 1103 CB SER A 73 9.011 -8.275 8.239 1.00 0.00 C ATOM 1104 OG SER A 73 8.891 -9.288 7.255 1.00 0.00 O ATOM 0 H SER A 73 10.406 -5.218 8.001 1.00 0.00 H new ATOM 0 HA SER A 73 10.238 -7.183 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.771 -8.550 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.072 -8.166 8.782 1.00 0.00 H new ATOM 0 HG SER A 73 7.943 -9.441 7.057 1.00 0.00 H new ATOM 1110 N ILE A 74 7.822 -7.231 5.738 1.00 0.00 N ATOM 1111 CA ILE A 74 6.802 -6.933 4.739 1.00 0.00 C ATOM 1112 C ILE A 74 6.010 -8.213 4.423 1.00 0.00 C ATOM 1113 O ILE A 74 6.511 -9.299 4.712 1.00 0.00 O ATOM 1114 CB ILE A 74 7.485 -6.339 3.486 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.752 -7.101 3.064 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.812 -4.864 3.753 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.187 -6.680 1.655 1.00 0.00 C ATOM 0 H ILE A 74 8.226 -8.159 5.610 1.00 0.00 H new ATOM 0 HA ILE A 74 6.093 -6.195 5.114 1.00 0.00 H new ATOM 0 HB ILE A 74 6.787 -6.435 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.556 -6.903 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.563 -8.174 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.295 -4.434 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.892 -4.320 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.483 -4.789 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.085 -7.229 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.389 -6.901 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.397 -5.610 1.643 1.00 0.00 H new ATOM 1129 N PRO A 75 4.795 -8.145 3.839 1.00 0.00 N ATOM 1130 CA PRO A 75 4.077 -6.959 3.389 1.00 0.00 C ATOM 1131 C PRO A 75 3.613 -6.072 4.536 1.00 0.00 C ATOM 1132 O PRO A 75 3.496 -6.496 5.690 1.00 0.00 O ATOM 1133 CB PRO A 75 2.863 -7.461 2.600 1.00 0.00 C ATOM 1134 CG PRO A 75 2.594 -8.821 3.230 1.00 0.00 C ATOM 1135 CD PRO A 75 4.000 -9.324 3.548 1.00 0.00 C ATOM 0 HA PRO A 75 4.744 -6.343 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.009 -6.792 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.078 -7.544 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.980 -8.738 4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.070 -9.488 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.987 -10.005 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.416 -9.876 2.705 1.00 0.00 H new ATOM 1143 N THR A 76 3.401 -4.805 4.200 1.00 0.00 N ATOM 1144 CA THR A 76 2.875 -3.801 5.091 1.00 0.00 C ATOM 1145 C THR A 76 2.162 -2.796 4.201 1.00 0.00 C ATOM 1146 O THR A 76 2.797 -2.001 3.508 1.00 0.00 O ATOM 1147 CB THR A 76 3.970 -3.179 5.967 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.428 -4.145 6.890 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.415 -2.006 6.778 1.00 0.00 C ATOM 0 H THR A 76 3.600 -4.445 3.266 1.00 0.00 H new ATOM 0 HA THR A 76 2.178 -4.224 5.814 1.00 0.00 H new ATOM 0 HB THR A 76 4.772 -2.835 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.044 -5.018 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.209 -1.580 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.032 -1.243 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.608 -2.358 7.421 1.00 0.00 H new ATOM 1157 N ILE A 77 0.837 -2.897 4.187 1.00 0.00 N ATOM 1158 CA ILE A 77 -0.050 -1.980 3.511 1.00 0.00 C ATOM 1159 C ILE A 77 -0.168 -0.781 4.434 1.00 0.00 C ATOM 1160 O ILE A 77 -0.365 -0.981 5.628 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.414 -2.655 3.285 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.270 -3.793 2.257 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.431 -1.614 2.803 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.490 -4.719 2.207 1.00 0.00 C ATOM 0 H ILE A 77 0.342 -3.649 4.666 1.00 0.00 H new ATOM 0 HA ILE A 77 0.319 -1.680 2.530 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.770 -3.081 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.108 -3.363 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.385 -4.382 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.396 -2.095 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.535 -0.832 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.086 -1.174 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.325 -5.499 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.640 -5.176 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.374 -4.142 1.937 1.00 0.00 H new ATOM 1176 N MET A 78 -0.018 0.439 3.923 1.00 0.00 N ATOM 1177 CA MET A 78 -0.228 1.664 4.674 1.00 0.00 C ATOM 1178 C MET A 78 -1.231 2.506 3.905 1.00 0.00 C ATOM 1179 O MET A 78 -1.151 2.619 2.678 1.00 0.00 O ATOM 1180 CB MET A 78 1.066 2.452 4.858 1.00 0.00 C ATOM 1181 CG MET A 78 2.067 1.717 5.744 1.00 0.00 C ATOM 1182 SD MET A 78 3.403 2.750 6.393 1.00 0.00 S ATOM 1183 CE MET A 78 4.363 1.470 7.223 1.00 0.00 C ATOM 0 H MET A 78 0.259 0.602 2.955 1.00 0.00 H new ATOM 0 HA MET A 78 -0.594 1.414 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.516 2.641 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.839 3.423 5.298 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.531 1.271 6.582 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.504 0.898 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.201 1.927 7.750 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.729 0.945 7.937 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.741 0.763 6.485 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.174 3.086 4.642 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.182 3.960 4.076 1.00 0.00 C ATOM 1195 C VAL A 79 -2.688 5.383 4.253 1.00 0.00 C ATOM 1196 O VAL A 79 -2.770 5.928 5.350 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.542 3.760 4.759 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.544 4.790 4.213 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -5.049 2.339 4.494 1.00 0.00 C ATOM 0 H VAL A 79 -2.256 2.959 5.651 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.332 3.733 3.021 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.435 3.901 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.510 4.649 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.179 5.797 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.654 4.655 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.015 2.201 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.158 2.186 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.335 1.618 4.893 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.158 5.968 3.187 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.732 7.353 3.169 1.00 0.00 C ATOM 1211 C PHE A 80 -2.919 8.205 2.751 1.00 0.00 C ATOM 1212 O PHE A 80 -3.784 7.740 2.008 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.530 7.504 2.245 1.00 0.00 C ATOM 1214 CG PHE A 80 0.775 7.177 2.941 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.131 5.840 3.198 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.605 8.219 3.393 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.372 5.548 3.790 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.828 7.926 4.016 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.218 6.589 4.202 1.00 0.00 C ATOM 0 H PHE A 80 -2.012 5.484 2.301 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.408 7.689 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.653 6.849 1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.491 8.526 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.452 5.040 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.300 9.247 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.675 4.521 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.469 8.728 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.169 6.363 4.662 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.970 9.435 3.265 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.073 10.359 3.016 1.00 0.00 C ATOM 1231 C LYS A 81 -3.566 11.801 2.945 1.00 0.00 C ATOM 1232 O LYS A 81 -4.258 12.730 3.352 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.160 10.145 4.092 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.895 10.712 5.502 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.480 10.455 6.036 1.00 0.00 C ATOM 1236 CE LYS A 81 -3.277 11.022 7.446 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.051 10.293 8.464 1.00 0.00 N ATOM 0 H LYS A 81 -2.243 9.818 3.869 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.526 10.157 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.088 10.583 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.330 9.073 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.074 11.787 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.616 10.278 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.288 9.382 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.752 10.902 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.218 10.981 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.567 12.073 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.447 10.968 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.825 9.772 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.429 9.623 8.960 1.00 0.00 H new ATOM 1251 N GLY A 82 -2.350 11.977 2.423 1.00 0.00 N ATOM 1252 CA GLY A 82 -1.704 13.273 2.338 1.00 0.00 C ATOM 1253 C GLY A 82 -0.565 13.322 3.350 1.00 0.00 C ATOM 1254 O GLY A 82 -0.794 13.411 4.556 1.00 0.00 O ATOM 0 H GLY A 82 -1.788 11.213 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.321 13.438 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.423 14.067 2.540 1.00 0.00 H new ATOM 1258 N GLY A 83 0.671 13.228 2.862 1.00 0.00 N ATOM 1259 CA GLY A 83 1.879 13.298 3.663 1.00 0.00 C ATOM 1260 C GLY A 83 2.097 12.058 4.523 1.00 0.00 C ATOM 1261 O GLY A 83 3.005 11.271 4.272 1.00 0.00 O ATOM 0 H GLY A 83 0.858 13.097 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.737 13.432 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.831 14.176 4.307 1.00 0.00 H new ATOM 1265 N LYS A 84 1.274 11.896 5.553 1.00 0.00 N ATOM 1266 CA LYS A 84 1.405 10.824 6.526 1.00 0.00 C ATOM 1267 C LYS A 84 0.413 9.688 6.271 1.00 0.00 C ATOM 1268 O LYS A 84 -0.509 9.793 5.454 1.00 0.00 O ATOM 1269 CB LYS A 84 1.206 11.409 7.933 1.00 0.00 C ATOM 1270 CG LYS A 84 2.296 12.438 8.266 1.00 0.00 C ATOM 1271 CD LYS A 84 2.113 13.060 9.658 1.00 0.00 C ATOM 1272 CE LYS A 84 2.281 12.039 10.791 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.277 12.699 12.108 1.00 0.00 N ATOM 0 H LYS A 84 0.486 12.517 5.736 1.00 0.00 H new ATOM 0 HA LYS A 84 2.402 10.393 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.225 11.880 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.223 10.606 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.273 11.958 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.287 13.228 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.836 13.865 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.122 13.509 9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.475 11.306 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.215 11.494 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.392 11.984 12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.061 13.381 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.375 13.199 12.243 1.00 0.00 H new ATOM 1287 N LYS A 85 0.635 8.592 7.001 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.220 7.421 7.005 1.00 0.00 C ATOM 1289 C LYS A 85 -1.375 7.640 7.986 1.00 0.00 C ATOM 1290 O LYS A 85 -1.323 8.534 8.830 1.00 0.00 O ATOM 1291 CB LYS A 85 0.587 6.166 7.367 1.00 0.00 C ATOM 1292 CG LYS A 85 1.131 6.183 8.804 1.00 0.00 C ATOM 1293 CD LYS A 85 1.895 4.898 9.152 1.00 0.00 C ATOM 1294 CE LYS A 85 1.038 3.628 9.076 1.00 0.00 C ATOM 1295 NZ LYS A 85 -0.189 3.733 9.888 1.00 0.00 N ATOM 0 H LYS A 85 1.440 8.501 7.621 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.632 7.269 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.044 5.287 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.421 6.066 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.791 7.041 8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.304 6.312 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.742 4.795 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.303 4.990 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.769 3.435 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.625 2.775 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.667 2.810 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.059 4.024 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.825 4.439 9.466 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.403 6.801 7.881 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.571 6.794 8.749 1.00 0.00 C ATOM 1311 C CYS A 86 -3.649 5.451 9.460 1.00 0.00 C ATOM 1312 O CYS A 86 -3.634 5.391 10.684 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.842 7.024 7.926 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.204 7.358 9.069 1.00 0.00 S ATOM 0 H CYS A 86 -2.444 6.081 7.160 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.485 7.595 9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.706 7.862 7.242 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.064 6.148 7.316 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.292 6.391 9.934 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.733 4.375 8.673 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.846 3.001 9.142 1.00 0.00 C ATOM 1322 C GLU A 87 -2.857 2.117 8.374 1.00 0.00 C ATOM 1323 O GLU A 87 -2.185 2.600 7.460 1.00 0.00 O ATOM 1324 CB GLU A 87 -5.284 2.510 8.933 1.00 0.00 C ATOM 1325 CG GLU A 87 -6.377 3.455 9.457 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.264 3.739 10.951 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.908 2.793 11.688 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.559 4.894 11.328 1.00 0.00 O ATOM 0 H GLU A 87 -3.723 4.445 7.655 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.608 2.949 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.445 2.348 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.396 1.543 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.326 4.397 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.354 3.019 9.250 1.00 0.00 H new ATOM 1335 N THR A 88 -2.766 0.828 8.726 1.00 0.00 N ATOM 1336 CA THR A 88 -1.841 -0.106 8.095 1.00 0.00 C ATOM 1337 C THR A 88 -2.304 -1.553 8.305 1.00 0.00 C ATOM 1338 O THR A 88 -3.134 -1.798 9.180 1.00 0.00 O ATOM 1339 CB THR A 88 -0.425 0.143 8.661 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.524 -0.766 8.149 1.00 0.00 O ATOM 1341 CG2 THR A 88 -0.379 0.024 10.189 1.00 0.00 C ATOM 0 H THR A 88 -3.336 0.408 9.460 1.00 0.00 H new ATOM 0 HA THR A 88 -1.818 0.057 7.018 1.00 0.00 H new ATOM 0 HB THR A 88 -0.179 1.159 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.271 -1.025 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.637 0.208 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.053 0.758 10.632 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.689 -0.978 10.485 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.817 -2.496 7.492 1.00 0.00 N ATOM 1350 CA ILE A 89 -2.100 -3.927 7.593 1.00 0.00 C ATOM 1351 C ILE A 89 -0.769 -4.636 7.345 1.00 0.00 C ATOM 1352 O ILE A 89 -0.164 -4.403 6.302 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.150 -4.391 6.557 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.297 -3.378 6.394 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.686 -5.763 6.993 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.335 -3.808 5.353 1.00 0.00 C ATOM 0 H ILE A 89 -1.192 -2.273 6.718 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.519 -4.160 8.572 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.672 -4.466 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.791 -3.240 7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.882 -2.412 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.429 -6.108 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.864 -6.478 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.146 -5.678 7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.117 -3.052 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.852 -3.919 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.775 -4.760 5.650 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.305 -5.467 8.282 1.00 0.00 N ATOM 1369 CA ILE A 90 0.981 -6.153 8.200 1.00 0.00 C ATOM 1370 C ILE A 90 0.747 -7.642 7.929 1.00 0.00 C ATOM 1371 O ILE A 90 -0.157 -8.233 8.517 1.00 0.00 O ATOM 1372 CB ILE A 90 1.756 -5.937 9.519 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.930 -4.429 9.795 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.133 -6.620 9.449 1.00 0.00 C ATOM 1375 CD1 ILE A 90 2.560 -4.131 11.159 1.00 0.00 C ATOM 0 H ILE A 90 -0.824 -5.684 9.133 1.00 0.00 H new ATOM 0 HA ILE A 90 1.576 -5.748 7.381 1.00 0.00 H new ATOM 0 HB ILE A 90 1.184 -6.382 10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.551 -3.993 9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.957 -3.942 9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.667 -6.459 10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.001 -7.690 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.708 -6.196 8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.654 -3.053 11.289 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.928 -4.538 11.948 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.547 -4.590 11.212 1.00 0.00 H new ATOM 1387 N GLY A 91 1.572 -8.246 7.067 1.00 0.00 N ATOM 1388 CA GLY A 91 1.508 -9.674 6.776 1.00 0.00 C ATOM 1389 C GLY A 91 0.451 -10.027 5.728 1.00 0.00 C ATOM 1390 O GLY A 91 -0.527 -9.305 5.533 1.00 0.00 O ATOM 0 H GLY A 91 2.303 -7.754 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.484 -10.011 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.294 -10.217 7.697 1.00 0.00 H new ATOM 1394 N ALA A 92 0.662 -11.143 5.018 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.242 -11.589 3.967 1.00 0.00 C ATOM 1396 C ALA A 92 -1.526 -12.180 4.552 1.00 0.00 C ATOM 1397 O ALA A 92 -1.726 -13.393 4.520 1.00 0.00 O ATOM 1398 CB ALA A 92 0.485 -12.612 3.094 1.00 0.00 C ATOM 0 H ALA A 92 1.464 -11.756 5.161 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.535 -10.734 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.182 -12.954 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.367 -12.150 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.788 -13.462 3.705 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.409 -11.327 5.072 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.683 -11.783 5.616 1.00 0.00 C ATOM 1406 C VAL A 93 -4.642 -12.045 4.438 1.00 0.00 C ATOM 1407 O VAL A 93 -4.522 -11.380 3.409 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.247 -10.749 6.610 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.276 -10.532 7.778 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.580 -9.397 5.966 1.00 0.00 C ATOM 0 H VAL A 93 -2.264 -10.319 5.127 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.553 -12.709 6.176 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.184 -11.171 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.694 -9.798 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.121 -11.475 8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.322 -10.168 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.972 -8.719 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.677 -8.970 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.328 -9.540 5.186 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.572 -13.014 4.537 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.501 -13.339 3.458 1.00 0.00 C ATOM 1422 C PRO A 94 -7.299 -12.137 2.941 1.00 0.00 C ATOM 1423 O PRO A 94 -7.529 -11.169 3.668 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.448 -14.396 4.027 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.598 -15.094 5.085 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.707 -13.975 5.625 1.00 0.00 C ATOM 0 HA PRO A 94 -5.938 -13.691 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.340 -13.945 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.784 -15.091 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.214 -15.530 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.009 -15.904 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.153 -13.510 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.734 -14.362 5.928 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.785 -12.242 1.699 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.540 -11.189 1.036 1.00 0.00 C ATOM 1436 C LYS A 95 -9.702 -10.702 1.897 1.00 0.00 C ATOM 1437 O LYS A 95 -9.910 -9.504 2.036 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.036 -11.662 -0.338 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.005 -12.853 -0.369 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.296 -13.279 -1.818 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.884 -12.164 -2.700 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.115 -11.590 -2.128 1.00 0.00 N ATOM 0 H LYS A 95 -7.660 -13.075 1.124 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.868 -10.343 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.523 -10.819 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.165 -11.921 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.578 -13.690 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.936 -12.584 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.372 -13.636 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.990 -14.120 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.143 -11.375 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.098 -12.563 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.484 -10.855 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.827 -12.339 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.904 -11.170 -1.200 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.458 -11.634 2.477 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.584 -11.322 3.349 1.00 0.00 C ATOM 1458 C ALA A 96 -11.152 -10.347 4.449 1.00 0.00 C ATOM 1459 O ALA A 96 -11.837 -9.359 4.723 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.129 -12.617 3.957 1.00 0.00 C ATOM 0 H ALA A 96 -10.303 -12.634 2.352 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.371 -10.844 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.971 -12.386 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.460 -13.282 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.345 -13.105 4.536 1.00 0.00 H new ATOM 1466 N THR A 97 -10.025 -10.634 5.103 1.00 0.00 N ATOM 1467 CA THR A 97 -9.477 -9.783 6.142 1.00 0.00 C ATOM 1468 C THR A 97 -9.091 -8.435 5.534 1.00 0.00 C ATOM 1469 O THR A 97 -9.458 -7.403 6.092 1.00 0.00 O ATOM 1470 CB THR A 97 -8.272 -10.467 6.817 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.036 -11.742 6.254 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.526 -10.657 8.312 1.00 0.00 C ATOM 0 H THR A 97 -9.469 -11.470 4.920 1.00 0.00 H new ATOM 0 HA THR A 97 -10.227 -9.613 6.914 1.00 0.00 H new ATOM 0 HB THR A 97 -7.407 -9.822 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.701 -11.639 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.663 -11.141 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.687 -9.686 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.409 -11.279 8.455 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.371 -8.434 4.402 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.968 -7.191 3.744 1.00 0.00 C ATOM 1482 C ILE A 98 -9.211 -6.324 3.512 1.00 0.00 C ATOM 1483 O ILE A 98 -9.263 -5.197 3.993 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.202 -7.458 2.425 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.893 -8.217 2.709 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.875 -6.124 1.730 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.063 -8.515 1.455 1.00 0.00 C ATOM 0 H ILE A 98 -8.058 -9.281 3.927 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.275 -6.656 4.393 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.833 -8.065 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.289 -7.632 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.130 -9.157 3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.336 -6.319 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.801 -5.593 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.256 -5.513 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.157 -9.051 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.648 -9.127 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.793 -7.579 0.966 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.213 -6.851 2.804 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.468 -6.174 2.499 1.00 0.00 C ATOM 1501 C VAL A 99 -12.055 -5.567 3.775 1.00 0.00 C ATOM 1502 O VAL A 99 -12.202 -4.349 3.866 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.436 -7.177 1.834 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.884 -6.670 1.775 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.979 -7.478 0.400 1.00 0.00 C ATOM 0 H VAL A 99 -10.168 -7.793 2.416 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.297 -5.355 1.800 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.415 -8.073 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.513 -7.421 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.246 -6.484 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.922 -5.745 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.668 -8.186 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.967 -6.555 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.977 -7.907 0.420 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.369 -6.404 4.769 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.964 -5.939 6.018 1.00 0.00 C ATOM 1517 C GLN A 100 -12.137 -4.815 6.644 1.00 0.00 C ATOM 1518 O GLN A 100 -12.682 -3.794 7.058 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.087 -7.117 6.988 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.235 -8.037 6.560 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.219 -9.337 7.350 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.055 -9.569 8.217 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.254 -10.197 7.050 1.00 0.00 N ATOM 0 H GLN A 100 -12.218 -7.412 4.728 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.954 -5.536 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.152 -7.677 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.264 -6.749 7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.188 -7.529 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.153 -8.254 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.576 -9.970 6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.190 -11.086 7.547 1.00 0.00 H new ATOM 1532 N THR A 101 -10.821 -5.000 6.706 1.00 0.00 N ATOM 1533 CA THR A 101 -9.919 -4.022 7.291 1.00 0.00 C ATOM 1534 C THR A 101 -9.949 -2.705 6.499 1.00 0.00 C ATOM 1535 O THR A 101 -10.016 -1.629 7.092 1.00 0.00 O ATOM 1536 CB THR A 101 -8.515 -4.633 7.378 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.567 -5.833 8.122 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.550 -3.693 8.091 1.00 0.00 C ATOM 0 H THR A 101 -10.353 -5.834 6.351 1.00 0.00 H new ATOM 0 HA THR A 101 -10.242 -3.770 8.301 1.00 0.00 H new ATOM 0 HB THR A 101 -8.169 -4.813 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.773 -6.581 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.563 -4.152 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.487 -2.752 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.909 -3.501 9.102 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.914 -2.759 5.163 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.974 -1.546 4.359 1.00 0.00 C ATOM 1548 C VAL A 102 -11.306 -0.848 4.617 1.00 0.00 C ATOM 1549 O VAL A 102 -11.322 0.351 4.863 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.747 -1.841 2.866 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.948 -0.571 2.022 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.309 -2.318 2.629 1.00 0.00 C ATOM 0 H VAL A 102 -9.845 -3.623 4.625 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.166 -0.876 4.653 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.464 -2.609 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.782 -0.803 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.965 -0.202 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.239 0.194 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.164 -2.523 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.612 -1.543 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.128 -3.227 3.202 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.414 -1.591 4.602 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.733 -1.033 4.866 1.00 0.00 C ATOM 1564 C GLU A 103 -13.732 -0.325 6.224 1.00 0.00 C ATOM 1565 O GLU A 103 -14.060 0.852 6.320 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.780 -2.152 4.805 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.934 -2.747 3.395 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.726 -1.877 2.419 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.115 -0.754 2.802 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.927 -2.371 1.287 1.00 0.00 O ATOM 0 H GLU A 103 -12.418 -2.592 4.407 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.988 -0.292 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.500 -2.944 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.742 -1.762 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.942 -2.925 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.424 -3.717 3.476 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.320 -1.043 7.270 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.191 -0.524 8.629 1.00 0.00 C ATOM 1579 C LYS A 104 -12.450 0.820 8.614 1.00 0.00 C ATOM 1580 O LYS A 104 -12.891 1.784 9.235 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.436 -1.569 9.465 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.000 -1.115 10.866 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.833 -2.003 11.314 1.00 0.00 C ATOM 1584 CE LYS A 104 -10.360 -1.629 12.722 1.00 0.00 C ATOM 1585 NZ LYS A 104 -9.205 -2.448 13.130 1.00 0.00 N ATOM 0 H LYS A 104 -13.061 -2.026 7.192 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.173 -0.347 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.070 -2.450 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.549 -1.878 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.697 -0.068 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.830 -1.195 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.141 -3.048 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.006 -1.903 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.089 -0.574 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.176 -1.767 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.906 -2.173 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.473 -3.453 13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.420 -2.297 12.465 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.303 0.868 7.935 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.476 2.064 7.856 1.00 0.00 C ATOM 1601 C TYR A 105 -11.060 3.151 6.955 1.00 0.00 C ATOM 1602 O TYR A 105 -10.795 4.330 7.177 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.109 1.672 7.283 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.260 0.697 8.069 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.518 0.425 9.425 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.125 0.149 7.446 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.627 -0.372 10.161 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.214 -0.618 8.195 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.480 -0.899 9.548 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.621 -1.652 10.288 1.00 0.00 O ATOM 0 H TYR A 105 -10.923 0.072 7.423 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.411 2.470 8.866 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.272 1.249 6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.530 2.585 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.400 0.829 9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.953 0.317 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.825 -0.580 11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.312 -0.991 7.732 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.713 -1.555 9.933 1.00 0.00 H new ATOM 1620 N LEU A 106 -11.797 2.764 5.915 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.243 3.629 4.853 1.00 0.00 C ATOM 1622 C LEU A 106 -13.508 3.055 4.221 1.00 0.00 C ATOM 1623 O LEU A 106 -13.471 2.127 3.415 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.136 3.720 3.800 1.00 0.00 C ATOM 1625 CG LEU A 106 -10.046 4.769 4.055 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -9.219 4.821 2.772 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -10.584 6.181 4.327 1.00 0.00 C ATOM 0 H LEU A 106 -12.106 1.799 5.796 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.464 4.621 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.659 2.743 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -11.597 3.932 2.835 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.488 4.479 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.419 5.553 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.788 3.839 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.859 5.108 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.750 6.862 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.161 6.522 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.223 6.163 5.210 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.616 3.674 4.589 1.00 0.00 N ATOM 1640 CA ASN A 107 -15.980 3.458 4.139 1.00 0.00 C ATOM 1641 C ASN A 107 -16.680 4.790 4.416 1.00 0.00 C ATOM 1642 O ASN A 107 -16.145 5.526 5.278 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.617 2.289 4.909 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.975 1.797 4.397 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -18.311 0.631 4.584 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.794 2.632 3.768 1.00 0.00 N ATOM 1647 OXT ASN A 107 -17.711 5.052 3.760 1.00 0.00 O ATOM 0 H ASN A 107 -14.578 4.419 5.284 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.052 3.183 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.921 1.450 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.732 2.588 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.703 2.305 3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -18.514 3.601 3.613 1.00 0.00 H new TER 1654 ASN A 107