USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 9:sc= 0.712 USER MOD Set 1.2: A 41 ASN : amide:sc= -2.92! C(o=-2.2!,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.00177) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.082 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -48:sc=0.000167 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.731 X(o=-0.73,f=-0.67) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 0.464 (180deg=0.0718) USER MOD Single : A 18 GLN : amide:sc= -0.178 K(o=-0.18,f=-4.1!) USER MOD Single : A 31 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.21) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.532) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.51 K(o=-2.5,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.228 -12.985 -20.776 1.00 0.00 N ATOM 2 CA GLY A 1 26.382 -12.798 -21.635 1.00 0.00 C ATOM 3 C GLY A 1 27.551 -13.676 -21.234 1.00 0.00 C ATOM 4 O GLY A 1 28.177 -14.313 -22.081 1.00 0.00 O ATOM 0 H1 GLY A 1 24.451 -12.376 -21.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.926 -13.980 -20.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.479 -12.734 -19.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.103 -13.018 -22.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.689 -11.753 -21.604 1.00 0.00 H new ATOM 8 N SER A 2 27.849 -13.707 -19.939 1.00 0.00 N ATOM 9 CA SER A 2 28.955 -14.509 -19.428 1.00 0.00 C ATOM 10 C SER A 2 28.465 -15.506 -18.383 1.00 0.00 C ATOM 11 O SER A 2 27.334 -15.416 -17.904 1.00 0.00 O ATOM 12 CB SER A 2 30.030 -13.605 -18.822 1.00 0.00 C ATOM 13 OG SER A 2 30.819 -13.003 -19.833 1.00 0.00 O ATOM 0 H SER A 2 27.340 -13.186 -19.225 1.00 0.00 H new ATOM 0 HA SER A 2 29.385 -15.064 -20.262 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.559 -12.832 -18.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.668 -14.188 -18.157 1.00 0.00 H new ATOM 0 HG SER A 2 31.497 -12.429 -19.420 1.00 0.00 H new ATOM 19 N SER A 3 29.325 -16.457 -18.033 1.00 0.00 N ATOM 20 CA SER A 3 28.980 -17.475 -17.047 1.00 0.00 C ATOM 21 C SER A 3 29.258 -16.978 -15.632 1.00 0.00 C ATOM 22 O SER A 3 30.151 -16.160 -15.414 1.00 0.00 O ATOM 23 CB SER A 3 29.767 -18.760 -17.313 1.00 0.00 C ATOM 24 OG SER A 3 31.153 -18.564 -17.089 1.00 0.00 O ATOM 0 H SER A 3 30.266 -16.544 -18.417 1.00 0.00 H new ATOM 0 HA SER A 3 27.914 -17.685 -17.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.400 -19.556 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.604 -19.084 -18.341 1.00 0.00 H new ATOM 0 HG SER A 3 31.634 -19.400 -17.264 1.00 0.00 H new ATOM 30 N GLY A 4 28.486 -17.478 -14.673 1.00 0.00 N ATOM 31 CA GLY A 4 28.664 -17.074 -13.290 1.00 0.00 C ATOM 32 C GLY A 4 28.212 -15.649 -13.041 1.00 0.00 C ATOM 33 O GLY A 4 28.890 -14.888 -12.350 1.00 0.00 O ATOM 0 H GLY A 4 27.740 -18.156 -14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.104 -17.748 -12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.715 -17.171 -13.018 1.00 0.00 H new ATOM 37 N SER A 5 27.066 -15.285 -13.606 1.00 0.00 N ATOM 38 CA SER A 5 26.527 -13.939 -13.446 1.00 0.00 C ATOM 39 C SER A 5 25.531 -13.886 -12.292 1.00 0.00 C ATOM 40 O SER A 5 25.555 -12.963 -11.478 1.00 0.00 O ATOM 41 CB SER A 5 25.852 -13.480 -14.739 1.00 0.00 C ATOM 42 OG SER A 5 25.491 -12.111 -14.668 1.00 0.00 O ATOM 0 H SER A 5 26.492 -15.903 -14.179 1.00 0.00 H new ATOM 0 HA SER A 5 27.355 -13.268 -13.219 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.526 -13.638 -15.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.964 -14.084 -14.924 1.00 0.00 H new ATOM 0 HG SER A 5 25.063 -11.842 -15.507 1.00 0.00 H new ATOM 48 N SER A 6 24.656 -14.885 -12.228 1.00 0.00 N ATOM 49 CA SER A 6 23.648 -14.951 -11.176 1.00 0.00 C ATOM 50 C SER A 6 24.235 -14.526 -9.833 1.00 0.00 C ATOM 51 O SER A 6 23.658 -13.703 -9.124 1.00 0.00 O ATOM 52 CB SER A 6 23.082 -16.369 -11.072 1.00 0.00 C ATOM 53 OG SER A 6 24.102 -17.304 -10.763 1.00 0.00 O ATOM 0 H SER A 6 24.625 -15.659 -12.892 1.00 0.00 H new ATOM 0 HA SER A 6 22.843 -14.263 -11.435 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.310 -16.400 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.605 -16.644 -12.013 1.00 0.00 H new ATOM 0 HG SER A 6 23.715 -18.202 -10.700 1.00 0.00 H new ATOM 59 N GLY A 7 25.388 -15.094 -9.492 1.00 0.00 N ATOM 60 CA GLY A 7 26.034 -14.762 -8.236 1.00 0.00 C ATOM 61 C GLY A 7 26.925 -13.540 -8.347 1.00 0.00 C ATOM 62 O GLY A 7 28.146 -13.660 -8.436 1.00 0.00 O ATOM 0 H GLY A 7 25.886 -15.777 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.273 -14.585 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.628 -15.612 -7.901 1.00 0.00 H new ATOM 66 N MET A 8 26.312 -12.361 -8.344 1.00 0.00 N ATOM 67 CA MET A 8 27.058 -11.112 -8.446 1.00 0.00 C ATOM 68 C MET A 8 27.451 -10.599 -7.064 1.00 0.00 C ATOM 69 O MET A 8 28.532 -10.039 -6.884 1.00 0.00 O ATOM 70 CB MET A 8 26.228 -10.055 -9.178 1.00 0.00 C ATOM 71 CG MET A 8 24.988 -9.620 -8.413 1.00 0.00 C ATOM 72 SD MET A 8 24.213 -8.155 -9.124 1.00 0.00 S ATOM 73 CE MET A 8 24.598 -6.929 -7.876 1.00 0.00 C ATOM 0 H MET A 8 25.301 -12.244 -8.272 1.00 0.00 H new ATOM 0 HA MET A 8 27.968 -11.307 -9.014 1.00 0.00 H new ATOM 0 HB2 MET A 8 26.852 -9.182 -9.368 1.00 0.00 H new ATOM 0 HB3 MET A 8 25.927 -10.449 -10.149 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.268 -10.438 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.258 -9.417 -7.377 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.184 -5.965 -8.173 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.165 -7.232 -6.923 1.00 0.00 H new ATOM 0 HE3 MET A 8 25.680 -6.843 -7.772 1.00 0.00 H new ATOM 83 N ALA A 9 26.567 -10.795 -6.092 1.00 0.00 N ATOM 84 CA ALA A 9 26.823 -10.353 -4.726 1.00 0.00 C ATOM 85 C ALA A 9 28.144 -10.911 -4.208 1.00 0.00 C ATOM 86 O ALA A 9 28.234 -12.083 -3.844 1.00 0.00 O ATOM 87 CB ALA A 9 25.678 -10.769 -3.814 1.00 0.00 C ATOM 0 H ALA A 9 25.667 -11.257 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 9 26.894 -9.265 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 9 25.882 -10.433 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 9 24.750 -10.318 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 9 25.581 -11.855 -3.824 1.00 0.00 H new ATOM 93 N SER A 10 29.168 -10.063 -4.178 1.00 0.00 N ATOM 94 CA SER A 10 30.486 -10.473 -3.708 1.00 0.00 C ATOM 95 C SER A 10 30.615 -10.265 -2.202 1.00 0.00 C ATOM 96 O SER A 10 31.714 -10.307 -1.650 1.00 0.00 O ATOM 97 CB SER A 10 31.577 -9.687 -4.438 1.00 0.00 C ATOM 98 OG SER A 10 32.785 -10.427 -4.497 1.00 0.00 O ATOM 0 H SER A 10 29.110 -9.088 -4.474 1.00 0.00 H new ATOM 0 HA SER A 10 30.607 -11.535 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 10 31.244 -9.448 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 31.751 -8.740 -3.927 1.00 0.00 H new ATOM 0 HG SER A 10 32.994 -10.783 -3.608 1.00 0.00 H new ATOM 104 N GLY A 11 29.482 -10.040 -1.543 1.00 0.00 N ATOM 105 CA GLY A 11 29.489 -9.828 -0.107 1.00 0.00 C ATOM 106 C GLY A 11 30.010 -11.031 0.654 1.00 0.00 C ATOM 107 O GLY A 11 29.970 -12.155 0.152 1.00 0.00 O ATOM 0 H GLY A 11 28.560 -10.001 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 11 30.105 -8.960 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 11 28.477 -9.600 0.228 1.00 0.00 H new ATOM 111 N GLN A 12 30.502 -10.796 1.866 1.00 0.00 N ATOM 112 CA GLN A 12 31.035 -11.870 2.695 1.00 0.00 C ATOM 113 C GLN A 12 29.938 -12.859 3.077 1.00 0.00 C ATOM 114 O GLN A 12 30.215 -14.016 3.393 1.00 0.00 O ATOM 115 CB GLN A 12 31.681 -11.295 3.957 1.00 0.00 C ATOM 116 CG GLN A 12 32.873 -10.395 3.674 1.00 0.00 C ATOM 117 CD GLN A 12 33.424 -9.744 4.928 1.00 0.00 C ATOM 118 OE1 GLN A 12 34.444 -10.174 5.467 1.00 0.00 O ATOM 119 NE2 GLN A 12 32.750 -8.702 5.399 1.00 0.00 N ATOM 0 H GLN A 12 30.542 -9.872 2.295 1.00 0.00 H new ATOM 0 HA GLN A 12 31.791 -12.400 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.933 -10.729 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 12 32.001 -12.116 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 12 33.660 -10.980 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 12 32.578 -9.620 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 12 31.909 -8.380 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 12 33.073 -8.224 6.240 1.00 0.00 H new ATOM 128 N PHE A 13 28.693 -12.395 3.046 1.00 0.00 N ATOM 129 CA PHE A 13 27.555 -13.239 3.389 1.00 0.00 C ATOM 130 C PHE A 13 27.460 -14.435 2.447 1.00 0.00 C ATOM 131 O PHE A 13 27.876 -14.363 1.291 1.00 0.00 O ATOM 132 CB PHE A 13 26.258 -12.428 3.335 1.00 0.00 C ATOM 133 CG PHE A 13 26.001 -11.798 1.996 1.00 0.00 C ATOM 134 CD1 PHE A 13 25.357 -12.506 0.994 1.00 0.00 C ATOM 135 CD2 PHE A 13 26.403 -10.497 1.739 1.00 0.00 C ATOM 136 CE1 PHE A 13 25.118 -11.929 -0.239 1.00 0.00 C ATOM 137 CE2 PHE A 13 26.167 -9.915 0.509 1.00 0.00 C ATOM 138 CZ PHE A 13 25.525 -10.632 -0.482 1.00 0.00 C ATOM 0 H PHE A 13 28.447 -11.440 2.787 1.00 0.00 H new ATOM 0 HA PHE A 13 27.702 -13.610 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 13 25.421 -13.079 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 13 26.295 -11.647 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 13 25.038 -13.521 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 13 26.907 -9.932 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 13 24.614 -12.491 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 13 26.484 -8.900 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 13 25.342 -10.179 -1.445 1.00 0.00 H new ATOM 148 N VAL A 14 26.910 -15.535 2.951 1.00 0.00 N ATOM 149 CA VAL A 14 26.760 -16.748 2.156 1.00 0.00 C ATOM 150 C VAL A 14 25.431 -17.435 2.447 1.00 0.00 C ATOM 151 O VAL A 14 25.171 -17.853 3.575 1.00 0.00 O ATOM 152 CB VAL A 14 27.908 -17.740 2.422 1.00 0.00 C ATOM 153 CG1 VAL A 14 27.715 -19.011 1.609 1.00 0.00 C ATOM 154 CG2 VAL A 14 29.250 -17.096 2.110 1.00 0.00 C ATOM 0 H VAL A 14 26.561 -15.611 3.906 1.00 0.00 H new ATOM 0 HA VAL A 14 26.787 -16.445 1.109 1.00 0.00 H new ATOM 0 HB VAL A 14 27.896 -18.008 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.536 -19.700 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.771 -19.480 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.700 -18.765 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 30.050 -17.810 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.275 -16.798 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 14 29.388 -16.218 2.741 1.00 0.00 H new ATOM 164 N ASN A 15 24.592 -17.550 1.423 1.00 0.00 N ATOM 165 CA ASN A 15 23.289 -18.187 1.569 1.00 0.00 C ATOM 166 C ASN A 15 22.408 -17.407 2.540 1.00 0.00 C ATOM 167 O ASN A 15 21.727 -17.989 3.384 1.00 0.00 O ATOM 168 CB ASN A 15 23.454 -19.627 2.058 1.00 0.00 C ATOM 169 CG ASN A 15 22.135 -20.373 2.115 1.00 0.00 C ATOM 170 OD1 ASN A 15 21.757 -20.911 3.156 1.00 0.00 O ATOM 171 ND2 ASN A 15 21.427 -20.410 0.991 1.00 0.00 N ATOM 0 H ASN A 15 24.792 -17.210 0.482 1.00 0.00 H new ATOM 0 HA ASN A 15 22.805 -18.195 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 15 24.139 -20.156 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.908 -19.622 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.532 -20.898 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 15 21.779 -19.950 0.151 1.00 0.00 H new ATOM 178 N LYS A 16 22.425 -16.084 2.414 1.00 0.00 N ATOM 179 CA LYS A 16 21.627 -15.222 3.277 1.00 0.00 C ATOM 180 C LYS A 16 20.151 -15.286 2.897 1.00 0.00 C ATOM 181 O LYS A 16 19.808 -15.444 1.724 1.00 0.00 O ATOM 182 CB LYS A 16 22.124 -13.777 3.191 1.00 0.00 C ATOM 183 CG LYS A 16 21.914 -12.984 4.469 1.00 0.00 C ATOM 184 CD LYS A 16 20.566 -12.282 4.474 1.00 0.00 C ATOM 185 CE LYS A 16 20.466 -11.277 5.611 1.00 0.00 C ATOM 186 NZ LYS A 16 19.050 -10.991 5.975 1.00 0.00 N ATOM 0 H LYS A 16 22.984 -15.585 1.721 1.00 0.00 H new ATOM 0 HA LYS A 16 21.736 -15.577 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.186 -13.781 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.610 -13.273 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.981 -13.652 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.710 -12.247 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.416 -11.772 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.770 -13.021 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.995 -11.661 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.961 -10.350 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.988 -10.785 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.712 -10.170 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.460 -11.818 5.753 1.00 0.00 H new ATOM 200 N LEU A 17 19.282 -15.162 3.893 1.00 0.00 N ATOM 201 CA LEU A 17 17.842 -15.204 3.663 1.00 0.00 C ATOM 202 C LEU A 17 17.184 -13.896 4.088 1.00 0.00 C ATOM 203 O LEU A 17 17.367 -13.436 5.215 1.00 0.00 O ATOM 204 CB LEU A 17 17.218 -16.374 4.426 1.00 0.00 C ATOM 205 CG LEU A 17 15.975 -17.002 3.792 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.912 -15.944 3.541 1.00 0.00 C ATOM 207 CD2 LEU A 17 16.339 -17.713 2.497 1.00 0.00 C ATOM 0 H LEU A 17 19.549 -15.031 4.869 1.00 0.00 H new ATOM 0 HA LEU A 17 17.673 -15.343 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.974 -17.151 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.957 -16.031 5.427 1.00 0.00 H new ATOM 0 HG LEU A 17 15.569 -17.738 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.035 -16.409 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.631 -15.480 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.307 -15.184 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.443 -18.154 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.770 -16.997 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.065 -18.499 2.705 1.00 0.00 H new ATOM 219 N GLN A 18 16.416 -13.303 3.180 1.00 0.00 N ATOM 220 CA GLN A 18 15.729 -12.048 3.462 1.00 0.00 C ATOM 221 C GLN A 18 14.311 -12.065 2.901 1.00 0.00 C ATOM 222 O GLN A 18 13.923 -12.999 2.200 1.00 0.00 O ATOM 223 CB GLN A 18 16.509 -10.871 2.872 1.00 0.00 C ATOM 224 CG GLN A 18 16.465 -10.812 1.354 1.00 0.00 C ATOM 225 CD GLN A 18 17.576 -11.615 0.706 1.00 0.00 C ATOM 226 OE1 GLN A 18 17.550 -12.846 0.708 1.00 0.00 O ATOM 227 NE2 GLN A 18 18.560 -10.921 0.148 1.00 0.00 N ATOM 0 H GLN A 18 16.254 -13.671 2.243 1.00 0.00 H new ATOM 0 HA GLN A 18 15.671 -11.931 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.108 -9.941 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.548 -10.936 3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.502 -11.186 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.538 -9.773 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.541 -9.901 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.335 -11.407 -0.303 1.00 0.00 H new ATOM 236 N GLU A 19 13.542 -11.027 3.217 1.00 0.00 N ATOM 237 CA GLU A 19 12.166 -10.925 2.744 1.00 0.00 C ATOM 238 C GLU A 19 11.951 -9.627 1.972 1.00 0.00 C ATOM 239 O GLU A 19 12.456 -8.573 2.358 1.00 0.00 O ATOM 240 CB GLU A 19 11.193 -10.999 3.923 1.00 0.00 C ATOM 241 CG GLU A 19 9.758 -10.667 3.548 1.00 0.00 C ATOM 242 CD GLU A 19 8.774 -11.008 4.650 1.00 0.00 C ATOM 243 OE1 GLU A 19 8.983 -10.556 5.795 1.00 0.00 O ATOM 244 OE2 GLU A 19 7.793 -11.728 4.366 1.00 0.00 O ATOM 0 H GLU A 19 13.848 -10.246 3.798 1.00 0.00 H new ATOM 0 HA GLU A 19 11.976 -11.762 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.226 -12.002 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.525 -10.312 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.684 -9.605 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.488 -11.211 2.643 1.00 0.00 H new ATOM 251 N GLU A 20 11.198 -9.713 0.880 1.00 0.00 N ATOM 252 CA GLU A 20 10.917 -8.545 0.053 1.00 0.00 C ATOM 253 C GLU A 20 9.427 -8.444 -0.258 1.00 0.00 C ATOM 254 O GLU A 20 8.764 -9.451 -0.509 1.00 0.00 O ATOM 255 CB GLU A 20 11.718 -8.610 -1.249 1.00 0.00 C ATOM 256 CG GLU A 20 11.153 -9.590 -2.263 1.00 0.00 C ATOM 257 CD GLU A 20 11.973 -9.649 -3.537 1.00 0.00 C ATOM 258 OE1 GLU A 20 11.685 -8.867 -4.466 1.00 0.00 O ATOM 259 OE2 GLU A 20 12.904 -10.479 -3.604 1.00 0.00 O ATOM 0 H GLU A 20 10.772 -10.578 0.548 1.00 0.00 H new ATOM 0 HA GLU A 20 11.215 -7.657 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.750 -7.616 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.746 -8.890 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.109 -10.584 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.130 -9.305 -2.507 1.00 0.00 H new ATOM 266 N VAL A 21 8.905 -7.222 -0.239 1.00 0.00 N ATOM 267 CA VAL A 21 7.494 -6.988 -0.520 1.00 0.00 C ATOM 268 C VAL A 21 7.292 -5.672 -1.263 1.00 0.00 C ATOM 269 O VAL A 21 8.191 -4.833 -1.314 1.00 0.00 O ATOM 270 CB VAL A 21 6.660 -6.967 0.775 1.00 0.00 C ATOM 271 CG1 VAL A 21 6.426 -8.382 1.283 1.00 0.00 C ATOM 272 CG2 VAL A 21 7.346 -6.118 1.836 1.00 0.00 C ATOM 0 H VAL A 21 9.439 -6.378 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 21 7.156 -7.812 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 21 5.690 -6.521 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.835 -8.347 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.890 -8.956 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.385 -8.858 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.743 -6.114 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.330 -6.534 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.457 -5.097 1.470 1.00 0.00 H new ATOM 282 N ILE A 22 6.106 -5.500 -1.837 1.00 0.00 N ATOM 283 CA ILE A 22 5.785 -4.285 -2.576 1.00 0.00 C ATOM 284 C ILE A 22 4.313 -3.918 -2.418 1.00 0.00 C ATOM 285 O ILE A 22 3.455 -4.791 -2.288 1.00 0.00 O ATOM 286 CB ILE A 22 6.106 -4.437 -4.074 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.584 -4.782 -4.269 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.752 -3.161 -4.824 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.900 -5.336 -5.641 1.00 0.00 C ATOM 0 H ILE A 22 5.352 -6.186 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 22 6.402 -3.489 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 22 5.505 -5.252 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.183 -3.887 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.881 -5.511 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.985 -3.284 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.688 -2.954 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.329 -2.329 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.965 -5.558 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.328 -6.249 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.635 -4.600 -6.400 1.00 0.00 H new ATOM 301 N CYS A 23 4.028 -2.620 -2.431 1.00 0.00 N ATOM 302 CA CYS A 23 2.661 -2.136 -2.291 1.00 0.00 C ATOM 303 C CYS A 23 1.898 -2.270 -3.606 1.00 0.00 C ATOM 304 O CYS A 23 2.259 -1.681 -4.625 1.00 0.00 O ATOM 305 CB CYS A 23 2.659 -0.675 -1.835 1.00 0.00 C ATOM 306 SG CYS A 23 1.108 -0.147 -1.038 1.00 0.00 S ATOM 0 H CYS A 23 4.727 -1.885 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 23 2.162 -2.746 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.483 -0.522 -1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.848 -0.036 -2.698 1.00 0.00 H new ATOM 311 N PRO A 24 0.817 -3.064 -3.585 1.00 0.00 N ATOM 312 CA PRO A 24 -0.019 -3.294 -4.766 1.00 0.00 C ATOM 313 C PRO A 24 -0.816 -2.056 -5.163 1.00 0.00 C ATOM 314 O PRO A 24 -1.551 -2.069 -6.150 1.00 0.00 O ATOM 315 CB PRO A 24 -0.961 -4.416 -4.321 1.00 0.00 C ATOM 316 CG PRO A 24 -1.025 -4.291 -2.838 1.00 0.00 C ATOM 317 CD PRO A 24 0.329 -3.798 -2.405 1.00 0.00 C ATOM 0 HA PRO A 24 0.577 -3.542 -5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.948 -4.306 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.582 -5.393 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.808 -3.594 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.257 -5.250 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.261 -3.152 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.992 -4.622 -2.142 1.00 0.00 H new ATOM 325 N ILE A 25 -0.664 -0.987 -4.387 1.00 0.00 N ATOM 326 CA ILE A 25 -1.368 0.259 -4.659 1.00 0.00 C ATOM 327 C ILE A 25 -0.478 1.240 -5.416 1.00 0.00 C ATOM 328 O ILE A 25 -0.718 1.538 -6.586 1.00 0.00 O ATOM 329 CB ILE A 25 -1.858 0.925 -3.360 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.712 -0.053 -2.551 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.644 2.189 -3.675 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.902 0.361 -1.108 1.00 0.00 C ATOM 0 H ILE A 25 -0.060 -0.960 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.231 0.005 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.990 1.201 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.689 -0.148 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.247 -1.038 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.983 2.648 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.006 2.890 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.507 1.937 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.517 -0.378 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.931 0.428 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.395 1.332 -1.070 1.00 0.00 H new ATOM 344 N CYS A 26 0.552 1.738 -4.740 1.00 0.00 N ATOM 345 CA CYS A 26 1.480 2.684 -5.347 1.00 0.00 C ATOM 346 C CYS A 26 2.528 1.957 -6.184 1.00 0.00 C ATOM 347 O CYS A 26 3.179 2.555 -7.041 1.00 0.00 O ATOM 348 CB CYS A 26 2.166 3.522 -4.266 1.00 0.00 C ATOM 349 SG CYS A 26 2.768 2.555 -2.845 1.00 0.00 S ATOM 0 H CYS A 26 0.765 1.502 -3.771 1.00 0.00 H new ATOM 0 HA CYS A 26 0.911 3.343 -6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.007 4.053 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.466 4.277 -3.908 1.00 0.00 H new ATOM 354 N LEU A 27 2.686 0.663 -5.929 1.00 0.00 N ATOM 355 CA LEU A 27 3.655 -0.148 -6.659 1.00 0.00 C ATOM 356 C LEU A 27 5.071 0.383 -6.458 1.00 0.00 C ATOM 357 O LEU A 27 5.842 0.501 -7.410 1.00 0.00 O ATOM 358 CB LEU A 27 3.313 -0.168 -8.150 1.00 0.00 C ATOM 359 CG LEU A 27 2.111 -1.023 -8.551 1.00 0.00 C ATOM 360 CD1 LEU A 27 0.820 -0.402 -8.040 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.060 -1.197 -10.062 1.00 0.00 C ATOM 0 H LEU A 27 2.156 0.153 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 27 3.609 -1.164 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.129 0.856 -8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.186 -0.524 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 27 2.222 -2.007 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.025 -1.024 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.856 -0.331 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.702 0.595 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.198 -1.808 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.974 -0.220 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.972 -1.687 -10.403 1.00 0.00 H new ATOM 373 N ASP A 28 5.407 0.700 -5.212 1.00 0.00 N ATOM 374 CA ASP A 28 6.731 1.216 -4.885 1.00 0.00 C ATOM 375 C ASP A 28 7.359 0.417 -3.746 1.00 0.00 C ATOM 376 O ASP A 28 6.684 -0.368 -3.080 1.00 0.00 O ATOM 377 CB ASP A 28 6.646 2.694 -4.501 1.00 0.00 C ATOM 378 CG ASP A 28 6.435 2.895 -3.013 1.00 0.00 C ATOM 379 OD1 ASP A 28 7.303 2.461 -2.227 1.00 0.00 O ATOM 380 OD2 ASP A 28 5.403 3.487 -2.636 1.00 0.00 O ATOM 0 H ASP A 28 4.781 0.609 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 28 7.362 1.114 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.562 3.199 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.827 3.162 -5.047 1.00 0.00 H new ATOM 385 N ILE A 29 8.653 0.623 -3.530 1.00 0.00 N ATOM 386 CA ILE A 29 9.371 -0.078 -2.472 1.00 0.00 C ATOM 387 C ILE A 29 8.721 0.162 -1.114 1.00 0.00 C ATOM 388 O ILE A 29 8.861 1.236 -0.527 1.00 0.00 O ATOM 389 CB ILE A 29 10.846 0.361 -2.407 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.535 0.112 -3.751 1.00 0.00 C ATOM 391 CG2 ILE A 29 11.569 -0.377 -1.290 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.599 -1.349 -4.135 1.00 0.00 C ATOM 0 H ILE A 29 9.226 1.269 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 29 9.326 -1.141 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 29 10.883 1.429 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.005 0.661 -4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.548 0.514 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.610 -0.056 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.090 -0.154 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.526 -1.450 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.100 -1.451 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.155 -1.900 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.588 -1.751 -4.208 1.00 0.00 H new ATOM 404 N LEU A 30 8.011 -0.845 -0.619 1.00 0.00 N ATOM 405 CA LEU A 30 7.339 -0.746 0.673 1.00 0.00 C ATOM 406 C LEU A 30 8.313 -0.302 1.760 1.00 0.00 C ATOM 407 O LEU A 30 9.131 -1.090 2.233 1.00 0.00 O ATOM 408 CB LEU A 30 6.714 -2.090 1.050 1.00 0.00 C ATOM 409 CG LEU A 30 5.266 -2.304 0.609 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.862 -3.759 0.792 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.331 -1.387 1.384 1.00 0.00 C ATOM 0 H LEU A 30 7.885 -1.740 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 30 6.551 0.002 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.324 -2.885 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.763 -2.200 2.133 1.00 0.00 H new ATOM 0 HG LEU A 30 5.189 -2.057 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.828 -3.892 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.512 -4.395 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.956 -4.033 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.305 -1.553 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.411 -1.602 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.606 -0.348 1.201 1.00 0.00 H new ATOM 423 N GLN A 31 8.216 0.964 2.152 1.00 0.00 N ATOM 424 CA GLN A 31 9.088 1.512 3.185 1.00 0.00 C ATOM 425 C GLN A 31 8.866 0.803 4.517 1.00 0.00 C ATOM 426 O GLN A 31 9.811 0.555 5.266 1.00 0.00 O ATOM 427 CB GLN A 31 8.843 3.013 3.345 1.00 0.00 C ATOM 428 CG GLN A 31 9.368 3.843 2.185 1.00 0.00 C ATOM 429 CD GLN A 31 10.833 3.582 1.897 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.664 3.573 2.806 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.159 3.368 0.628 1.00 0.00 N ATOM 0 H GLN A 31 7.543 1.629 1.771 1.00 0.00 H new ATOM 0 HA GLN A 31 10.121 1.351 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.772 3.188 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.315 3.353 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.782 3.625 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.228 4.901 2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.438 3.384 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.130 3.187 0.375 1.00 0.00 H new ATOM 440 N LYS A 32 7.610 0.480 4.807 1.00 0.00 N ATOM 441 CA LYS A 32 7.262 -0.201 6.048 1.00 0.00 C ATOM 442 C LYS A 32 6.081 -1.143 5.839 1.00 0.00 C ATOM 443 O LYS A 32 4.926 -0.723 5.764 1.00 0.00 O ATOM 444 CB LYS A 32 6.926 0.820 7.138 1.00 0.00 C ATOM 445 CG LYS A 32 8.149 1.487 7.744 1.00 0.00 C ATOM 446 CD LYS A 32 7.788 2.296 8.979 1.00 0.00 C ATOM 447 CE LYS A 32 9.024 2.894 9.634 1.00 0.00 C ATOM 448 NZ LYS A 32 9.757 1.890 10.454 1.00 0.00 N ATOM 0 H LYS A 32 6.816 0.679 4.199 1.00 0.00 H new ATOM 0 HA LYS A 32 8.123 -0.790 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.275 1.587 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.364 0.323 7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.886 0.728 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.614 2.139 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.098 3.094 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.268 1.658 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.688 3.289 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.731 3.734 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.593 2.336 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.132 1.531 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.059 1.101 9.848 1.00 0.00 H new ATOM 462 N PRO A 33 6.374 -2.449 5.744 1.00 0.00 N ATOM 463 CA PRO A 33 5.349 -3.478 5.545 1.00 0.00 C ATOM 464 C PRO A 33 4.469 -3.665 6.775 1.00 0.00 C ATOM 465 O PRO A 33 4.925 -4.152 7.810 1.00 0.00 O ATOM 466 CB PRO A 33 6.166 -4.744 5.274 1.00 0.00 C ATOM 467 CG PRO A 33 7.476 -4.499 5.939 1.00 0.00 C ATOM 468 CD PRO A 33 7.729 -3.021 5.825 1.00 0.00 C ATOM 0 HA PRO A 33 4.661 -3.218 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.674 -5.627 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.291 -4.913 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.448 -4.811 6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.271 -5.069 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.276 -2.639 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.320 -2.781 4.941 1.00 0.00 H new ATOM 476 N VAL A 34 3.203 -3.275 6.657 1.00 0.00 N ATOM 477 CA VAL A 34 2.258 -3.402 7.759 1.00 0.00 C ATOM 478 C VAL A 34 1.220 -4.482 7.472 1.00 0.00 C ATOM 479 O VAL A 34 0.295 -4.277 6.685 1.00 0.00 O ATOM 480 CB VAL A 34 1.534 -2.070 8.033 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.562 -2.220 9.194 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.541 -0.964 8.309 1.00 0.00 C ATOM 0 H VAL A 34 2.809 -2.868 5.809 1.00 0.00 H new ATOM 0 HA VAL A 34 2.835 -3.682 8.640 1.00 0.00 H new ATOM 0 HB VAL A 34 0.963 -1.797 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.060 -1.269 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.179 -2.982 8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.108 -2.516 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.012 -0.030 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.140 -1.227 9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.193 -0.841 7.444 1.00 0.00 H new ATOM 492 N THR A 35 1.380 -5.634 8.116 1.00 0.00 N ATOM 493 CA THR A 35 0.458 -6.747 7.931 1.00 0.00 C ATOM 494 C THR A 35 -0.927 -6.411 8.472 1.00 0.00 C ATOM 495 O THR A 35 -1.120 -6.301 9.683 1.00 0.00 O ATOM 496 CB THR A 35 0.971 -8.023 8.624 1.00 0.00 C ATOM 497 OG1 THR A 35 2.336 -8.263 8.261 1.00 0.00 O ATOM 498 CG2 THR A 35 0.121 -9.226 8.243 1.00 0.00 C ATOM 0 H THR A 35 2.140 -5.820 8.770 1.00 0.00 H new ATOM 0 HA THR A 35 0.392 -6.926 6.858 1.00 0.00 H new ATOM 0 HB THR A 35 0.902 -7.877 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.682 -7.493 7.763 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.503 -10.115 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.911 -9.053 8.547 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.162 -9.373 7.164 1.00 0.00 H new ATOM 506 N ILE A 36 -1.887 -6.249 7.567 1.00 0.00 N ATOM 507 CA ILE A 36 -3.254 -5.927 7.955 1.00 0.00 C ATOM 508 C ILE A 36 -4.058 -7.191 8.237 1.00 0.00 C ATOM 509 O ILE A 36 -3.683 -8.285 7.815 1.00 0.00 O ATOM 510 CB ILE A 36 -3.971 -5.109 6.864 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.356 -5.398 5.493 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.898 -3.623 7.181 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.104 -4.753 4.347 1.00 0.00 C ATOM 0 H ILE A 36 -1.743 -6.336 6.561 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.191 -5.329 8.864 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.020 -5.404 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.324 -5.048 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.328 -6.476 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.409 -3.059 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.378 -3.432 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.854 -3.312 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.612 -5.000 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.129 -5.122 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.110 -3.671 4.480 1.00 0.00 H new ATOM 525 N ASP A 37 -5.167 -7.034 8.952 1.00 0.00 N ATOM 526 CA ASP A 37 -6.026 -8.162 9.289 1.00 0.00 C ATOM 527 C ASP A 37 -6.414 -8.942 8.037 1.00 0.00 C ATOM 528 O ASP A 37 -6.870 -10.084 8.120 1.00 0.00 O ATOM 529 CB ASP A 37 -7.283 -7.676 10.012 1.00 0.00 C ATOM 530 CG ASP A 37 -8.252 -8.803 10.312 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.815 -9.825 10.882 1.00 0.00 O ATOM 532 OD2 ASP A 37 -9.446 -8.663 9.977 1.00 0.00 O ATOM 0 H ASP A 37 -5.492 -6.136 9.309 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.470 -8.825 9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.997 -7.189 10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.783 -6.925 9.400 1.00 0.00 H new ATOM 537 N CYS A 38 -6.232 -8.319 6.878 1.00 0.00 N ATOM 538 CA CYS A 38 -6.564 -8.953 5.607 1.00 0.00 C ATOM 539 C CYS A 38 -5.587 -10.081 5.291 1.00 0.00 C ATOM 540 O CYS A 38 -5.939 -11.053 4.623 1.00 0.00 O ATOM 541 CB CYS A 38 -6.551 -7.920 4.479 1.00 0.00 C ATOM 542 SG CYS A 38 -4.933 -7.730 3.664 1.00 0.00 S ATOM 0 H CYS A 38 -5.856 -7.375 6.792 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.565 -9.376 5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.291 -8.205 3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.859 -6.955 4.881 1.00 0.00 H new ATOM 547 N GLY A 39 -4.356 -9.945 5.775 1.00 0.00 N ATOM 548 CA GLY A 39 -3.347 -10.959 5.534 1.00 0.00 C ATOM 549 C GLY A 39 -2.108 -10.396 4.867 1.00 0.00 C ATOM 550 O GLY A 39 -0.986 -10.651 5.308 1.00 0.00 O ATOM 0 H GLY A 39 -4.040 -9.150 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.068 -11.422 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.768 -11.745 4.907 1.00 0.00 H new ATOM 554 N HIS A 40 -2.308 -9.630 3.799 1.00 0.00 N ATOM 555 CA HIS A 40 -1.197 -9.031 3.069 1.00 0.00 C ATOM 556 C HIS A 40 -0.698 -7.774 3.775 1.00 0.00 C ATOM 557 O HIS A 40 -1.274 -7.340 4.771 1.00 0.00 O ATOM 558 CB HIS A 40 -1.622 -8.692 1.640 1.00 0.00 C ATOM 559 CG HIS A 40 -2.478 -9.744 1.004 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.826 -9.574 0.765 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.172 -10.984 0.557 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.311 -10.664 0.199 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.328 -11.535 0.061 1.00 0.00 N ATOM 0 H HIS A 40 -3.229 -9.410 3.420 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.383 -9.756 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.166 -7.747 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.731 -8.543 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.200 -11.453 0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.337 -10.817 -0.100 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.413 -12.466 -0.348 1.00 0.00 H new ATOM 571 N ASN A 41 0.379 -7.195 3.252 1.00 0.00 N ATOM 572 CA ASN A 41 0.956 -5.989 3.833 1.00 0.00 C ATOM 573 C ASN A 41 0.828 -4.808 2.875 1.00 0.00 C ATOM 574 O ASN A 41 0.597 -4.988 1.679 1.00 0.00 O ATOM 575 CB ASN A 41 2.428 -6.220 4.182 1.00 0.00 C ATOM 576 CG ASN A 41 2.601 -7.100 5.405 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.904 -6.615 6.495 1.00 0.00 O ATOM 578 ND2 ASN A 41 2.409 -8.402 5.228 1.00 0.00 N ATOM 0 H ASN A 41 0.869 -7.542 2.427 1.00 0.00 H new ATOM 0 HA ASN A 41 0.406 -5.756 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.932 -6.680 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.912 -5.259 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.512 -9.044 6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.159 -8.760 4.306 1.00 0.00 H new ATOM 585 N PHE A 42 0.981 -3.601 3.409 1.00 0.00 N ATOM 586 CA PHE A 42 0.882 -2.390 2.603 1.00 0.00 C ATOM 587 C PHE A 42 1.775 -1.288 3.165 1.00 0.00 C ATOM 588 O PHE A 42 2.287 -1.396 4.279 1.00 0.00 O ATOM 589 CB PHE A 42 -0.569 -1.907 2.545 1.00 0.00 C ATOM 590 CG PHE A 42 -1.448 -2.753 1.668 1.00 0.00 C ATOM 591 CD1 PHE A 42 -1.821 -4.027 2.062 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.901 -2.273 0.450 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.629 -4.808 1.257 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.709 -3.048 -0.360 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.075 -4.317 0.045 1.00 0.00 C ATOM 0 H PHE A 42 1.174 -3.435 4.397 1.00 0.00 H new ATOM 0 HA PHE A 42 1.219 -2.627 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.980 -1.895 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.587 -0.880 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.477 -4.415 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.619 -1.281 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.911 -5.801 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.054 -2.662 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.709 -4.924 -0.585 1.00 0.00 H new ATOM 605 N CYS A 43 1.957 -0.227 2.385 1.00 0.00 N ATOM 606 CA CYS A 43 2.788 0.895 2.802 1.00 0.00 C ATOM 607 C CYS A 43 1.972 1.912 3.594 1.00 0.00 C ATOM 608 O CYS A 43 0.849 2.252 3.218 1.00 0.00 O ATOM 609 CB CYS A 43 3.419 1.570 1.583 1.00 0.00 C ATOM 610 SG CYS A 43 2.418 2.920 0.879 1.00 0.00 S ATOM 0 H CYS A 43 1.540 -0.122 1.460 1.00 0.00 H new ATOM 0 HA CYS A 43 3.579 0.509 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.395 1.965 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.589 0.818 0.812 1.00 0.00 H new ATOM 615 N LEU A 44 2.542 2.394 4.693 1.00 0.00 N ATOM 616 CA LEU A 44 1.868 3.373 5.539 1.00 0.00 C ATOM 617 C LEU A 44 1.276 4.501 4.701 1.00 0.00 C ATOM 618 O LEU A 44 0.121 4.886 4.886 1.00 0.00 O ATOM 619 CB LEU A 44 2.844 3.945 6.568 1.00 0.00 C ATOM 620 CG LEU A 44 2.216 4.562 7.818 1.00 0.00 C ATOM 621 CD1 LEU A 44 3.262 4.743 8.907 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.558 5.893 7.482 1.00 0.00 C ATOM 0 H LEU A 44 3.470 2.123 5.019 1.00 0.00 H new ATOM 0 HA LEU A 44 1.055 2.867 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.519 3.149 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.453 4.705 6.078 1.00 0.00 H new ATOM 0 HG LEU A 44 1.449 3.883 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.797 5.183 9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.688 3.774 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.052 5.402 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.116 6.318 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.307 6.579 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.779 5.736 6.736 1.00 0.00 H new ATOM 634 N LYS A 45 2.073 5.026 3.777 1.00 0.00 N ATOM 635 CA LYS A 45 1.628 6.108 2.907 1.00 0.00 C ATOM 636 C LYS A 45 0.286 5.773 2.264 1.00 0.00 C ATOM 637 O LYS A 45 -0.495 6.665 1.932 1.00 0.00 O ATOM 638 CB LYS A 45 2.672 6.379 1.821 1.00 0.00 C ATOM 639 CG LYS A 45 2.096 7.020 0.570 1.00 0.00 C ATOM 640 CD LYS A 45 1.344 8.299 0.894 1.00 0.00 C ATOM 641 CE LYS A 45 2.231 9.524 0.733 1.00 0.00 C ATOM 642 NZ LYS A 45 3.099 9.741 1.924 1.00 0.00 N ATOM 0 H LYS A 45 3.032 4.719 3.611 1.00 0.00 H new ATOM 0 HA LYS A 45 1.505 7.003 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.447 7.028 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.153 5.440 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.901 7.238 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.425 6.317 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.477 8.388 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.968 8.252 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.854 9.407 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.609 10.404 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.413 10.732 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.562 9.526 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.929 9.117 1.867 1.00 0.00 H new ATOM 656 N CYS A 46 0.023 4.481 2.093 1.00 0.00 N ATOM 657 CA CYS A 46 -1.225 4.027 1.492 1.00 0.00 C ATOM 658 C CYS A 46 -2.257 3.695 2.565 1.00 0.00 C ATOM 659 O CYS A 46 -3.407 4.127 2.490 1.00 0.00 O ATOM 660 CB CYS A 46 -0.975 2.801 0.612 1.00 0.00 C ATOM 661 SG CYS A 46 -0.612 3.196 -1.129 1.00 0.00 S ATOM 0 H CYS A 46 0.658 3.730 2.363 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.617 4.835 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.141 2.234 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.851 2.154 0.651 1.00 0.00 H new ATOM 666 N ILE A 47 -1.836 2.926 3.564 1.00 0.00 N ATOM 667 CA ILE A 47 -2.723 2.537 4.654 1.00 0.00 C ATOM 668 C ILE A 47 -3.269 3.760 5.381 1.00 0.00 C ATOM 669 O ILE A 47 -4.208 3.660 6.172 1.00 0.00 O ATOM 670 CB ILE A 47 -2.004 1.628 5.668 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.525 0.345 4.987 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.925 1.304 6.835 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.450 -0.385 5.761 1.00 0.00 C ATOM 0 H ILE A 47 -0.887 2.560 3.641 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.549 1.985 4.207 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.133 2.158 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.376 -0.321 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.144 0.590 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.403 0.661 7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.220 2.228 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.813 0.791 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.159 -1.285 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.418 0.264 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.833 -0.661 6.743 1.00 0.00 H new ATOM 685 N THR A 48 -2.675 4.918 5.109 1.00 0.00 N ATOM 686 CA THR A 48 -3.102 6.163 5.736 1.00 0.00 C ATOM 687 C THR A 48 -4.110 6.901 4.864 1.00 0.00 C ATOM 688 O THR A 48 -5.108 7.423 5.360 1.00 0.00 O ATOM 689 CB THR A 48 -1.905 7.090 6.015 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.303 8.158 6.883 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.351 7.663 4.719 1.00 0.00 C ATOM 0 H THR A 48 -1.896 5.019 4.458 1.00 0.00 H new ATOM 0 HA THR A 48 -3.573 5.895 6.682 1.00 0.00 H new ATOM 0 HB THR A 48 -1.124 6.503 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.535 8.742 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.506 8.315 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.021 6.849 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.128 8.236 4.213 1.00 0.00 H new ATOM 699 N GLN A 49 -3.843 6.940 3.562 1.00 0.00 N ATOM 700 CA GLN A 49 -4.729 7.616 2.621 1.00 0.00 C ATOM 701 C GLN A 49 -5.939 6.747 2.294 1.00 0.00 C ATOM 702 O GLN A 49 -7.003 7.257 1.940 1.00 0.00 O ATOM 703 CB GLN A 49 -3.973 7.964 1.338 1.00 0.00 C ATOM 704 CG GLN A 49 -3.450 6.747 0.591 1.00 0.00 C ATOM 705 CD GLN A 49 -4.433 6.227 -0.439 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.720 5.031 -0.491 1.00 0.00 O ATOM 707 NE2 GLN A 49 -4.955 7.125 -1.266 1.00 0.00 N ATOM 0 H GLN A 49 -3.021 6.512 3.135 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.081 8.536 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.633 8.529 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.135 8.616 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.513 7.004 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.226 5.955 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.689 8.106 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.622 6.833 -1.980 1.00 0.00 H new ATOM 716 N ILE A 50 -5.769 5.435 2.413 1.00 0.00 N ATOM 717 CA ILE A 50 -6.848 4.497 2.130 1.00 0.00 C ATOM 718 C ILE A 50 -8.044 4.742 3.045 1.00 0.00 C ATOM 719 O ILE A 50 -9.193 4.575 2.639 1.00 0.00 O ATOM 720 CB ILE A 50 -6.382 3.038 2.293 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.518 2.620 1.101 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.581 2.112 2.435 1.00 0.00 C ATOM 723 CD1 ILE A 50 -4.824 1.289 1.295 1.00 0.00 C ATOM 0 H ILE A 50 -4.895 4.997 2.703 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.146 4.662 1.095 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.780 2.963 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.143 2.568 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.767 3.389 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.236 1.084 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.161 2.400 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.207 2.188 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.230 1.056 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.172 1.342 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.570 0.509 1.446 1.00 0.00 H new ATOM 735 N GLY A 51 -7.764 5.141 4.282 1.00 0.00 N ATOM 736 CA GLY A 51 -8.827 5.404 5.234 1.00 0.00 C ATOM 737 C GLY A 51 -8.790 6.823 5.766 1.00 0.00 C ATOM 738 O GLY A 51 -9.177 7.075 6.906 1.00 0.00 O ATOM 0 H GLY A 51 -6.821 5.287 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.790 5.223 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.746 4.705 6.066 1.00 0.00 H new ATOM 742 N GLU A 52 -8.320 7.752 4.939 1.00 0.00 N ATOM 743 CA GLU A 52 -8.232 9.153 5.334 1.00 0.00 C ATOM 744 C GLU A 52 -9.531 9.889 5.022 1.00 0.00 C ATOM 745 O GLU A 52 -9.932 10.800 5.747 1.00 0.00 O ATOM 746 CB GLU A 52 -7.062 9.834 4.621 1.00 0.00 C ATOM 747 CG GLU A 52 -7.366 10.218 3.183 1.00 0.00 C ATOM 748 CD GLU A 52 -6.447 11.306 2.663 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.876 12.047 3.490 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.298 11.416 1.428 1.00 0.00 O ATOM 0 H GLU A 52 -7.994 7.560 3.992 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.064 9.191 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.781 10.729 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.200 9.166 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.275 9.336 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.400 10.556 3.112 1.00 0.00 H new ATOM 757 N THR A 53 -10.185 9.489 3.936 1.00 0.00 N ATOM 758 CA THR A 53 -11.438 10.110 3.525 1.00 0.00 C ATOM 759 C THR A 53 -12.637 9.351 4.081 1.00 0.00 C ATOM 760 O THR A 53 -13.616 9.953 4.520 1.00 0.00 O ATOM 761 CB THR A 53 -11.554 10.180 1.991 1.00 0.00 C ATOM 762 OG1 THR A 53 -12.797 10.786 1.621 1.00 0.00 O ATOM 763 CG2 THR A 53 -11.459 8.791 1.378 1.00 0.00 C ATOM 0 H THR A 53 -9.867 8.737 3.325 1.00 0.00 H new ATOM 0 HA THR A 53 -11.435 11.123 3.928 1.00 0.00 H new ATOM 0 HB THR A 53 -10.729 10.784 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.862 10.828 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.543 8.865 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.499 8.344 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.266 8.167 1.763 1.00 0.00 H new ATOM 771 N SER A 54 -12.553 8.024 4.058 1.00 0.00 N ATOM 772 CA SER A 54 -13.634 7.182 4.557 1.00 0.00 C ATOM 773 C SER A 54 -13.296 6.625 5.937 1.00 0.00 C ATOM 774 O SER A 54 -12.126 6.506 6.301 1.00 0.00 O ATOM 775 CB SER A 54 -13.904 6.033 3.583 1.00 0.00 C ATOM 776 OG SER A 54 -14.359 6.520 2.333 1.00 0.00 O ATOM 0 H SER A 54 -11.748 7.510 3.700 1.00 0.00 H new ATOM 0 HA SER A 54 -14.531 7.796 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.993 5.451 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.649 5.360 4.007 1.00 0.00 H new ATOM 0 HG SER A 54 -14.523 5.766 1.728 1.00 0.00 H new ATOM 782 N CYS A 55 -14.329 6.287 6.700 1.00 0.00 N ATOM 783 CA CYS A 55 -14.144 5.744 8.041 1.00 0.00 C ATOM 784 C CYS A 55 -14.967 4.474 8.232 1.00 0.00 C ATOM 785 O CYS A 55 -16.109 4.389 7.783 1.00 0.00 O ATOM 786 CB CYS A 55 -14.535 6.783 9.093 1.00 0.00 C ATOM 787 SG CYS A 55 -13.437 8.219 9.156 1.00 0.00 S ATOM 0 H CYS A 55 -15.303 6.379 6.413 1.00 0.00 H new ATOM 0 HA CYS A 55 -13.090 5.494 8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -15.550 7.124 8.891 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -14.548 6.305 10.073 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.851 9.042 10.074 1.00 0.00 H new ATOM 793 N GLY A 56 -14.378 3.488 8.901 1.00 0.00 N ATOM 794 CA GLY A 56 -15.071 2.235 9.138 1.00 0.00 C ATOM 795 C GLY A 56 -14.138 1.041 9.105 1.00 0.00 C ATOM 796 O GLY A 56 -13.301 0.873 9.992 1.00 0.00 O ATOM 0 H GLY A 56 -13.433 3.534 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.569 2.276 10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.849 2.105 8.385 1.00 0.00 H new ATOM 800 N PHE A 57 -14.281 0.208 8.080 1.00 0.00 N ATOM 801 CA PHE A 57 -13.446 -0.979 7.936 1.00 0.00 C ATOM 802 C PHE A 57 -12.513 -0.844 6.736 1.00 0.00 C ATOM 803 O PHE A 57 -12.933 -0.444 5.650 1.00 0.00 O ATOM 804 CB PHE A 57 -14.318 -2.226 7.781 1.00 0.00 C ATOM 805 CG PHE A 57 -14.985 -2.654 9.057 1.00 0.00 C ATOM 806 CD1 PHE A 57 -14.286 -3.376 10.011 1.00 0.00 C ATOM 807 CD2 PHE A 57 -16.311 -2.334 9.302 1.00 0.00 C ATOM 808 CE1 PHE A 57 -14.897 -3.770 11.187 1.00 0.00 C ATOM 809 CE2 PHE A 57 -16.926 -2.726 10.476 1.00 0.00 C ATOM 810 CZ PHE A 57 -16.219 -3.446 11.419 1.00 0.00 C ATOM 0 H PHE A 57 -14.968 0.333 7.336 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.840 -1.078 8.836 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.082 -2.034 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.703 -3.046 7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.252 -3.634 9.834 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.870 -1.772 8.568 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.341 -4.331 11.924 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.959 -2.469 10.656 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.699 -3.755 12.336 1.00 0.00 H new ATOM 820 N PHE A 58 -11.244 -1.181 6.940 1.00 0.00 N ATOM 821 CA PHE A 58 -10.250 -1.097 5.877 1.00 0.00 C ATOM 822 C PHE A 58 -10.508 -2.153 4.806 1.00 0.00 C ATOM 823 O PHE A 58 -10.913 -3.276 5.110 1.00 0.00 O ATOM 824 CB PHE A 58 -8.842 -1.270 6.451 1.00 0.00 C ATOM 825 CG PHE A 58 -7.776 -1.392 5.399 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.679 -2.535 4.623 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.872 -0.363 5.188 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.700 -2.651 3.654 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.892 -0.473 4.220 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.804 -1.618 3.453 1.00 0.00 C ATOM 0 H PHE A 58 -10.880 -1.515 7.832 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.329 -0.112 5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.613 -0.419 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.822 -2.159 7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.376 -3.345 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.934 0.534 5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.635 -3.547 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.195 0.337 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.037 -1.706 2.698 1.00 0.00 H new ATOM 840 N LYS A 59 -10.271 -1.786 3.552 1.00 0.00 N ATOM 841 CA LYS A 59 -10.476 -2.700 2.435 1.00 0.00 C ATOM 842 C LYS A 59 -9.170 -2.944 1.684 1.00 0.00 C ATOM 843 O LYS A 59 -8.365 -2.030 1.505 1.00 0.00 O ATOM 844 CB LYS A 59 -11.529 -2.139 1.477 1.00 0.00 C ATOM 845 CG LYS A 59 -12.947 -2.568 1.813 1.00 0.00 C ATOM 846 CD LYS A 59 -13.963 -1.527 1.375 1.00 0.00 C ATOM 847 CE LYS A 59 -13.943 -0.310 2.286 1.00 0.00 C ATOM 848 NZ LYS A 59 -14.896 0.740 1.831 1.00 0.00 N ATOM 0 H LYS A 59 -9.936 -0.861 3.283 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.827 -3.651 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.475 -1.050 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.292 -2.459 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.166 -3.518 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.033 -2.733 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.752 -1.219 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.960 -1.967 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.195 -0.613 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.935 0.104 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.852 1.553 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.641 1.048 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.862 0.354 1.825 1.00 0.00 H new ATOM 862 N CYS A 60 -8.967 -4.182 1.247 1.00 0.00 N ATOM 863 CA CYS A 60 -7.760 -4.547 0.515 1.00 0.00 C ATOM 864 C CYS A 60 -8.093 -4.941 -0.921 1.00 0.00 C ATOM 865 O CYS A 60 -9.061 -5.653 -1.187 1.00 0.00 O ATOM 866 CB CYS A 60 -7.041 -5.700 1.219 1.00 0.00 C ATOM 867 SG CYS A 60 -5.683 -6.431 0.248 1.00 0.00 S ATOM 0 H CYS A 60 -9.623 -4.950 1.387 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.102 -3.678 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.643 -5.341 2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.767 -6.479 1.452 1.00 0.00 H new ATOM 872 N PRO A 61 -7.271 -4.468 -1.870 1.00 0.00 N ATOM 873 CA PRO A 61 -7.457 -4.759 -3.294 1.00 0.00 C ATOM 874 C PRO A 61 -7.166 -6.217 -3.631 1.00 0.00 C ATOM 875 O PRO A 61 -7.880 -6.837 -4.421 1.00 0.00 O ATOM 876 CB PRO A 61 -6.442 -3.840 -3.979 1.00 0.00 C ATOM 877 CG PRO A 61 -5.389 -3.605 -2.951 1.00 0.00 C ATOM 878 CD PRO A 61 -6.096 -3.614 -1.624 1.00 0.00 C ATOM 0 HA PRO A 61 -8.486 -4.594 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.026 -4.306 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.904 -2.904 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.625 -4.381 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.886 -2.653 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.463 -4.019 -0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.386 -2.609 -1.316 1.00 0.00 H new ATOM 886 N LEU A 62 -6.115 -6.761 -3.028 1.00 0.00 N ATOM 887 CA LEU A 62 -5.730 -8.148 -3.264 1.00 0.00 C ATOM 888 C LEU A 62 -6.815 -9.104 -2.779 1.00 0.00 C ATOM 889 O LEU A 62 -7.194 -10.039 -3.485 1.00 0.00 O ATOM 890 CB LEU A 62 -4.409 -8.459 -2.558 1.00 0.00 C ATOM 891 CG LEU A 62 -3.259 -7.486 -2.827 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.040 -7.859 -1.998 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.914 -7.466 -4.309 1.00 0.00 C ATOM 0 H LEU A 62 -5.514 -6.263 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.603 -8.286 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.592 -8.486 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.089 -9.459 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.578 -6.485 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.232 -7.156 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.295 -7.821 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.718 -8.867 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.094 -6.769 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.614 -8.465 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.786 -7.150 -4.881 1.00 0.00 H new ATOM 905 N CYS A 63 -7.313 -8.863 -1.571 1.00 0.00 N ATOM 906 CA CYS A 63 -8.356 -9.700 -0.992 1.00 0.00 C ATOM 907 C CYS A 63 -9.649 -9.593 -1.796 1.00 0.00 C ATOM 908 O CYS A 63 -9.776 -8.742 -2.675 1.00 0.00 O ATOM 909 CB CYS A 63 -8.612 -9.299 0.463 1.00 0.00 C ATOM 910 SG CYS A 63 -7.236 -9.683 1.593 1.00 0.00 S ATOM 0 H CYS A 63 -7.010 -8.094 -0.974 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.015 -10.735 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.813 -8.229 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.510 -9.806 0.816 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.397 2.187 -1.098 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.350 -8.428 1.452 1.00 0.00 ZN