USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 143:sc= -0.857 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ -179:sc= -1.96 (180deg=-2.02) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.13! USER MOD Single : A 9 THR OG1 : rot 73:sc= -1.34 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00269 X(o=-0.0027,f=-0.0027) USER MOD Single : A 14 CYS SG : rot -30:sc= -0.633 USER MOD Single : A 15 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.287) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.113) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.552 K(o=-0.55,f=-0.022) USER MOD Single : A 49 THR OG1 : rot -20:sc= 0.472 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -154:sc= -0.128 (180deg=-0.808) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 57:sc= -0.0237 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.011 -10.818 -8.371 1.00 0.00 N ATOM 2 CA MET A 1 4.552 -9.433 -8.382 1.00 0.00 C ATOM 3 C MET A 1 3.436 -8.405 -8.233 1.00 0.00 C ATOM 4 O MET A 1 3.064 -7.744 -9.202 1.00 0.00 O ATOM 5 CB MET A 1 5.301 -9.213 -9.698 1.00 0.00 C ATOM 6 CG MET A 1 6.786 -9.530 -9.614 1.00 0.00 C ATOM 7 SD MET A 1 7.107 -11.225 -9.091 1.00 0.00 S ATOM 8 CE MET A 1 6.253 -12.142 -10.369 1.00 0.00 C ATOM 0 H1 MET A 1 4.794 -11.497 -8.457 1.00 0.00 H new ATOM 0 H2 MET A 1 3.504 -10.985 -7.479 1.00 0.00 H new ATOM 0 H3 MET A 1 3.357 -10.941 -9.170 1.00 0.00 H new ATOM 0 HA MET A 1 5.230 -9.306 -7.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.849 -9.833 -10.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.177 -8.175 -10.008 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.245 -9.362 -10.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.261 -8.842 -8.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.820 -13.040 -10.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.262 -12.424 -10.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.156 -11.521 -11.259 1.00 0.00 H new ATOM 20 N MET A 2 2.900 -8.266 -7.019 1.00 0.00 N ATOM 21 CA MET A 2 1.829 -7.304 -6.787 1.00 0.00 C ATOM 22 C MET A 2 2.391 -5.891 -6.630 1.00 0.00 C ATOM 23 O MET A 2 3.079 -5.590 -5.659 1.00 0.00 O ATOM 24 CB MET A 2 1.016 -7.693 -5.550 1.00 0.00 C ATOM 25 CG MET A 2 -0.423 -7.204 -5.590 1.00 0.00 C ATOM 26 SD MET A 2 -1.573 -8.360 -4.823 1.00 0.00 S ATOM 27 CE MET A 2 -2.906 -7.256 -4.361 1.00 0.00 C ATOM 0 H MET A 2 3.185 -8.798 -6.197 1.00 0.00 H new ATOM 0 HA MET A 2 1.170 -7.316 -7.655 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.020 -8.778 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.504 -7.289 -4.663 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.489 -6.242 -5.083 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.717 -7.039 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.697 -7.825 -3.873 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.529 -6.497 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 2 -3.304 -6.773 -5.253 1.00 0.00 H new ATOM 37 N LYS A 3 2.091 -5.027 -7.597 1.00 0.00 N ATOM 38 CA LYS A 3 2.568 -3.646 -7.566 1.00 0.00 C ATOM 39 C LYS A 3 1.873 -2.863 -6.461 1.00 0.00 C ATOM 40 O LYS A 3 0.660 -2.654 -6.501 1.00 0.00 O ATOM 41 CB LYS A 3 2.326 -2.969 -8.917 1.00 0.00 C ATOM 42 CG LYS A 3 3.251 -3.461 -10.019 1.00 0.00 C ATOM 43 CD LYS A 3 2.900 -2.838 -11.361 1.00 0.00 C ATOM 44 CE LYS A 3 4.148 -2.463 -12.146 1.00 0.00 C ATOM 45 NZ LYS A 3 4.037 -1.107 -12.752 1.00 0.00 N ATOM 0 H LYS A 3 1.521 -5.258 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 3 3.639 -3.659 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.293 -3.139 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.452 -1.892 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.283 -3.220 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.186 -4.547 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.300 -3.538 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.288 -1.950 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.015 -2.496 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.317 -3.199 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.907 -0.890 -13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.225 -1.082 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.901 -0.401 -12.001 1.00 0.00 H new ATOM 59 N ILE A 4 2.648 -2.443 -5.470 1.00 0.00 N ATOM 60 CA ILE A 4 2.106 -1.693 -4.344 1.00 0.00 C ATOM 61 C ILE A 4 2.801 -0.345 -4.178 1.00 0.00 C ATOM 62 O ILE A 4 4.012 -0.274 -3.975 1.00 0.00 O ATOM 63 CB ILE A 4 2.230 -2.506 -3.040 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.276 -3.695 -3.079 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.959 -1.640 -1.820 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.981 -5.016 -3.235 1.00 0.00 C ATOM 0 H ILE A 4 3.653 -2.609 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 4 1.053 -1.509 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 4 3.253 -2.873 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.688 -3.711 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.576 -3.564 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.054 -2.243 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.678 -0.822 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.949 -1.233 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.246 -5.821 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.548 -5.018 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.661 -5.167 -2.396 1.00 0.00 H new ATOM 78 N GLN A 5 2.011 0.717 -4.258 1.00 0.00 N ATOM 79 CA GLN A 5 2.522 2.075 -4.108 1.00 0.00 C ATOM 80 C GLN A 5 2.020 2.689 -2.805 1.00 0.00 C ATOM 81 O GLN A 5 0.819 2.680 -2.532 1.00 0.00 O ATOM 82 CB GLN A 5 2.091 2.938 -5.295 1.00 0.00 C ATOM 83 CG GLN A 5 2.831 2.613 -6.583 1.00 0.00 C ATOM 84 CD GLN A 5 1.893 2.304 -7.733 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.707 3.122 -8.635 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.296 1.118 -7.709 1.00 0.00 N ATOM 0 H GLN A 5 1.007 0.664 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 5 3.611 2.034 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.021 2.809 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.252 3.987 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.467 3.455 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.487 1.759 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.479 0.470 -6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.655 0.855 -8.457 1.00 0.00 H new ATOM 95 N ILE A 6 2.936 3.221 -1.998 1.00 0.00 N ATOM 96 CA ILE A 6 2.558 3.829 -0.726 1.00 0.00 C ATOM 97 C ILE A 6 2.808 5.331 -0.730 1.00 0.00 C ATOM 98 O ILE A 6 3.955 5.777 -0.699 1.00 0.00 O ATOM 99 CB ILE A 6 3.318 3.196 0.460 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.711 2.729 0.030 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.522 2.035 1.038 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.687 2.602 1.179 1.00 0.00 C ATOM 0 H ILE A 6 3.936 3.243 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 6 1.491 3.643 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 6 3.439 3.956 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.624 1.765 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.112 3.432 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.070 1.598 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.554 2.395 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.371 1.278 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.653 2.267 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.804 3.570 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.308 1.877 1.900 1.00 0.00 H new ATOM 114 N TYR A 7 1.730 6.114 -0.760 1.00 0.00 N ATOM 115 CA TYR A 7 1.850 7.562 -0.759 1.00 0.00 C ATOM 116 C TYR A 7 1.765 8.106 0.659 1.00 0.00 C ATOM 117 O TYR A 7 0.762 7.923 1.348 1.00 0.00 O ATOM 118 CB TYR A 7 0.765 8.192 -1.634 1.00 0.00 C ATOM 119 CG TYR A 7 0.691 7.605 -3.032 1.00 0.00 C ATOM 120 CD1 TYR A 7 -0.058 6.463 -3.272 1.00 0.00 C ATOM 121 CD2 TYR A 7 1.364 8.184 -4.110 1.00 0.00 C ATOM 122 CE1 TYR A 7 -0.142 5.907 -4.533 1.00 0.00 C ATOM 123 CE2 TYR A 7 1.280 7.633 -5.377 1.00 0.00 C ATOM 124 CZ TYR A 7 0.529 6.496 -5.581 1.00 0.00 C ATOM 125 OH TYR A 7 0.450 5.945 -6.840 1.00 0.00 O ATOM 0 H TYR A 7 0.771 5.767 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 7 2.824 7.823 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.201 8.067 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.948 9.264 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.588 5.998 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.957 9.073 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.730 5.016 -4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.802 8.093 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 7 0.980 6.482 -7.466 1.00 0.00 H new ATOM 135 N GLY A 8 2.830 8.769 1.090 1.00 0.00 N ATOM 136 CA GLY A 8 2.862 9.326 2.425 1.00 0.00 C ATOM 137 C GLY A 8 4.094 10.170 2.671 1.00 0.00 C ATOM 138 O GLY A 8 4.064 11.390 2.506 1.00 0.00 O ATOM 0 H GLY A 8 3.672 8.930 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.971 9.934 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.829 8.516 3.154 1.00 0.00 H new ATOM 142 N THR A 9 5.182 9.520 3.072 1.00 0.00 N ATOM 143 CA THR A 9 6.432 10.222 3.347 1.00 0.00 C ATOM 144 C THR A 9 6.223 11.309 4.396 1.00 0.00 C ATOM 145 O THR A 9 6.129 12.492 4.070 1.00 0.00 O ATOM 146 CB THR A 9 7.013 10.858 2.070 1.00 0.00 C ATOM 147 OG1 THR A 9 7.097 9.879 1.027 1.00 0.00 O ATOM 148 CG2 THR A 9 8.394 11.441 2.335 1.00 0.00 C ATOM 0 H THR A 9 5.224 8.511 3.214 1.00 0.00 H new ATOM 0 HA THR A 9 7.138 9.483 3.725 1.00 0.00 H new ATOM 0 HB THR A 9 6.348 11.664 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.198 9.681 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.784 11.884 1.419 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.324 12.207 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.065 10.650 2.669 1.00 0.00 H new ATOM 156 N GLY A 10 6.140 10.896 5.657 1.00 0.00 N ATOM 157 CA GLY A 10 5.929 11.844 6.734 1.00 0.00 C ATOM 158 C GLY A 10 4.470 11.939 7.131 1.00 0.00 C ATOM 159 O GLY A 10 3.625 12.322 6.320 1.00 0.00 O ATOM 0 H GLY A 10 6.215 9.922 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.521 11.547 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.285 12.827 6.426 1.00 0.00 H new ATOM 163 N CYS A 11 4.172 11.581 8.377 1.00 0.00 N ATOM 164 CA CYS A 11 2.801 11.615 8.889 1.00 0.00 C ATOM 165 C CYS A 11 2.011 10.401 8.412 1.00 0.00 C ATOM 166 O CYS A 11 1.480 9.639 9.221 1.00 0.00 O ATOM 167 CB CYS A 11 2.091 12.904 8.462 1.00 0.00 C ATOM 168 SG CYS A 11 0.918 13.538 9.683 1.00 0.00 S ATOM 0 H CYS A 11 4.864 11.262 9.055 1.00 0.00 H new ATOM 0 HA CYS A 11 2.853 11.590 9.977 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.840 13.670 8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.563 12.722 7.526 1.00 0.00 H new ATOM 0 HG CYS A 11 0.371 14.629 9.234 1.00 0.00 H new ATOM 174 N ALA A 12 1.935 10.220 7.095 1.00 0.00 N ATOM 175 CA ALA A 12 1.209 9.094 6.518 1.00 0.00 C ATOM 176 C ALA A 12 1.709 7.768 7.089 1.00 0.00 C ATOM 177 O ALA A 12 2.891 7.443 6.990 1.00 0.00 O ATOM 178 CB ALA A 12 1.336 9.104 4.999 1.00 0.00 C ATOM 0 H ALA A 12 2.367 10.839 6.409 1.00 0.00 H new ATOM 0 HA ALA A 12 0.156 9.198 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.789 8.258 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.922 10.033 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.387 9.029 4.721 1.00 0.00 H new ATOM 184 N ASN A 13 0.794 7.010 7.690 1.00 0.00 N ATOM 185 CA ASN A 13 1.126 5.717 8.289 1.00 0.00 C ATOM 186 C ASN A 13 1.306 4.620 7.234 1.00 0.00 C ATOM 187 O ASN A 13 1.205 3.434 7.546 1.00 0.00 O ATOM 188 CB ASN A 13 0.037 5.302 9.279 1.00 0.00 C ATOM 189 CG ASN A 13 -0.346 6.425 10.223 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.490 6.937 10.968 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.615 6.814 10.197 1.00 0.00 N ATOM 0 H ASN A 13 -0.189 7.270 7.776 1.00 0.00 H new ATOM 0 HA ASN A 13 2.076 5.837 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.846 4.977 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.384 4.446 9.859 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.931 7.565 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.274 6.362 9.564 1.00 0.00 H new ATOM 198 N CYS A 14 1.570 5.013 5.989 1.00 0.00 N ATOM 199 CA CYS A 14 1.757 4.044 4.904 1.00 0.00 C ATOM 200 C CYS A 14 2.794 2.988 5.280 1.00 0.00 C ATOM 201 O CYS A 14 2.776 1.870 4.765 1.00 0.00 O ATOM 202 CB CYS A 14 2.195 4.755 3.619 1.00 0.00 C ATOM 203 SG CYS A 14 3.476 6.006 3.867 1.00 0.00 S ATOM 0 H CYS A 14 1.659 5.989 5.705 1.00 0.00 H new ATOM 0 HA CYS A 14 0.800 3.549 4.736 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.561 4.011 2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.325 5.227 3.163 1.00 0.00 H new ATOM 0 HG CYS A 14 3.357 6.520 5.055 1.00 0.00 H new ATOM 209 N GLN A 15 3.701 3.359 6.174 1.00 0.00 N ATOM 210 CA GLN A 15 4.759 2.471 6.627 1.00 0.00 C ATOM 211 C GLN A 15 4.195 1.230 7.323 1.00 0.00 C ATOM 212 O GLN A 15 4.788 0.152 7.266 1.00 0.00 O ATOM 213 CB GLN A 15 5.688 3.256 7.561 1.00 0.00 C ATOM 214 CG GLN A 15 5.711 2.761 9.001 1.00 0.00 C ATOM 215 CD GLN A 15 6.654 3.560 9.878 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.481 2.997 10.595 1.00 0.00 O ATOM 217 NE2 GLN A 15 6.533 4.882 9.828 1.00 0.00 N ATOM 0 H GLN A 15 3.723 4.284 6.604 1.00 0.00 H new ATOM 0 HA GLN A 15 5.321 2.113 5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.701 3.215 7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.385 4.303 7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.704 2.813 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.008 1.712 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.834 5.307 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.139 5.472 10.398 1.00 0.00 H new ATOM 226 N MET A 16 3.054 1.390 7.989 1.00 0.00 N ATOM 227 CA MET A 16 2.428 0.281 8.704 1.00 0.00 C ATOM 228 C MET A 16 2.007 -0.829 7.746 1.00 0.00 C ATOM 229 O MET A 16 2.508 -1.951 7.827 1.00 0.00 O ATOM 230 CB MET A 16 1.214 0.782 9.493 1.00 0.00 C ATOM 231 CG MET A 16 1.489 0.970 10.977 1.00 0.00 C ATOM 232 SD MET A 16 0.233 1.974 11.793 1.00 0.00 S ATOM 233 CE MET A 16 -0.603 0.733 12.778 1.00 0.00 C ATOM 0 H MET A 16 2.546 2.273 8.048 1.00 0.00 H new ATOM 0 HA MET A 16 3.163 -0.131 9.396 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.882 1.730 9.070 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.394 0.074 9.371 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.539 -0.006 11.460 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.464 1.440 11.105 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.410 1.200 13.343 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.016 -0.034 12.123 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.107 0.277 13.468 1.00 0.00 H new ATOM 243 N LEU A 17 1.092 -0.514 6.837 1.00 0.00 N ATOM 244 CA LEU A 17 0.618 -1.493 5.865 1.00 0.00 C ATOM 245 C LEU A 17 1.728 -1.858 4.885 1.00 0.00 C ATOM 246 O LEU A 17 1.690 -2.914 4.255 1.00 0.00 O ATOM 247 CB LEU A 17 -0.595 -0.948 5.109 1.00 0.00 C ATOM 248 CG LEU A 17 -1.533 -2.007 4.523 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.892 -2.680 3.319 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.908 -3.039 5.577 1.00 0.00 C ATOM 0 H LEU A 17 0.664 0.408 6.752 1.00 0.00 H new ATOM 0 HA LEU A 17 0.321 -2.394 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.168 -0.313 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.241 -0.312 4.298 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.446 -1.510 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.573 -3.430 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.681 -1.933 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.038 -3.161 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.575 -3.781 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.006 -3.531 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.412 -2.544 6.407 1.00 0.00 H new ATOM 262 N GLU A 18 2.720 -0.977 4.765 1.00 0.00 N ATOM 263 CA GLU A 18 3.849 -1.225 3.855 1.00 0.00 C ATOM 264 C GLU A 18 4.543 -2.533 4.220 1.00 0.00 C ATOM 265 O GLU A 18 4.803 -3.372 3.357 1.00 0.00 O ATOM 266 CB GLU A 18 4.881 -0.077 3.866 1.00 0.00 C ATOM 267 CG GLU A 18 6.046 -0.307 2.916 1.00 0.00 C ATOM 268 CD GLU A 18 7.325 0.350 3.397 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.546 1.533 3.063 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.106 -0.318 4.108 1.00 0.00 O ATOM 0 H GLU A 18 2.770 -0.096 5.276 1.00 0.00 H new ATOM 0 HA GLU A 18 3.435 -1.288 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.381 0.854 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.266 0.047 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.212 -1.378 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.790 0.082 1.931 1.00 0.00 H new ATOM 277 N LYS A 19 4.836 -2.703 5.506 1.00 0.00 N ATOM 278 CA LYS A 19 5.496 -3.912 5.984 1.00 0.00 C ATOM 279 C LYS A 19 4.543 -5.103 5.938 1.00 0.00 C ATOM 280 O LYS A 19 4.905 -6.184 5.472 1.00 0.00 O ATOM 281 CB LYS A 19 6.007 -3.710 7.411 1.00 0.00 C ATOM 282 CG LYS A 19 7.130 -4.660 7.796 1.00 0.00 C ATOM 283 CD LYS A 19 7.252 -4.797 9.305 1.00 0.00 C ATOM 284 CE LYS A 19 8.368 -3.924 9.856 1.00 0.00 C ATOM 285 NZ LYS A 19 8.936 -4.476 11.116 1.00 0.00 N ATOM 0 H LYS A 19 4.627 -2.020 6.234 1.00 0.00 H new ATOM 0 HA LYS A 19 6.342 -4.118 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.357 -2.684 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.178 -3.840 8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.947 -5.640 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.072 -4.297 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.308 -4.521 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.443 -5.839 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.159 -3.833 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.986 -2.920 10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.694 -3.851 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.188 -4.539 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.324 -5.424 10.936 1.00 0.00 H new ATOM 299 N ASN A 20 3.325 -4.896 6.428 1.00 0.00 N ATOM 300 CA ASN A 20 2.316 -5.952 6.448 1.00 0.00 C ATOM 301 C ASN A 20 2.022 -6.460 5.038 1.00 0.00 C ATOM 302 O ASN A 20 1.770 -7.647 4.836 1.00 0.00 O ATOM 303 CB ASN A 20 1.020 -5.444 7.091 1.00 0.00 C ATOM 304 CG ASN A 20 1.271 -4.629 8.345 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.214 -4.891 9.092 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.424 -3.634 8.583 1.00 0.00 N ATOM 0 H ASN A 20 3.012 -4.007 6.817 1.00 0.00 H new ATOM 0 HA ASN A 20 2.713 -6.777 7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.475 -4.835 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.383 -6.294 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.541 -3.052 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.344 -3.452 7.937 1.00 0.00 H new ATOM 313 N ALA A 21 2.041 -5.551 4.071 1.00 0.00 N ATOM 314 CA ALA A 21 1.763 -5.902 2.683 1.00 0.00 C ATOM 315 C ALA A 21 2.845 -6.805 2.090 1.00 0.00 C ATOM 316 O ALA A 21 2.539 -7.839 1.499 1.00 0.00 O ATOM 317 CB ALA A 21 1.616 -4.641 1.849 1.00 0.00 C ATOM 0 H ALA A 21 2.246 -4.563 4.222 1.00 0.00 H new ATOM 0 HA ALA A 21 0.828 -6.462 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.409 -4.912 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.794 -4.041 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.540 -4.065 1.895 1.00 0.00 H new ATOM 323 N ARG A 22 4.107 -6.408 2.235 1.00 0.00 N ATOM 324 CA ARG A 22 5.220 -7.186 1.697 1.00 0.00 C ATOM 325 C ARG A 22 5.199 -8.620 2.216 1.00 0.00 C ATOM 326 O ARG A 22 5.517 -9.556 1.481 1.00 0.00 O ATOM 327 CB ARG A 22 6.555 -6.519 2.053 1.00 0.00 C ATOM 328 CG ARG A 22 7.619 -6.667 0.976 1.00 0.00 C ATOM 329 CD ARG A 22 8.911 -5.972 1.373 1.00 0.00 C ATOM 330 NE ARG A 22 9.808 -5.789 0.234 1.00 0.00 N ATOM 331 CZ ARG A 22 11.092 -5.454 0.348 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.633 -5.267 1.545 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.838 -5.306 -0.739 1.00 0.00 N ATOM 0 H ARG A 22 4.384 -5.554 2.719 1.00 0.00 H new ATOM 0 HA ARG A 22 5.111 -7.217 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.383 -5.459 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.929 -6.948 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.813 -7.725 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.252 -6.248 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.680 -5.001 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.416 -6.557 2.141 1.00 0.00 H new ATOM 0 HE ARG A 22 9.429 -5.926 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.065 -5.380 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.617 -5.011 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.428 -5.449 -1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.821 -5.049 -0.652 1.00 0.00 H new ATOM 347 N GLU A 23 4.831 -8.793 3.481 1.00 0.00 N ATOM 348 CA GLU A 23 4.783 -10.122 4.076 1.00 0.00 C ATOM 349 C GLU A 23 3.578 -10.911 3.570 1.00 0.00 C ATOM 350 O GLU A 23 3.711 -12.065 3.168 1.00 0.00 O ATOM 351 CB GLU A 23 4.751 -10.029 5.605 1.00 0.00 C ATOM 352 CG GLU A 23 3.604 -9.194 6.150 1.00 0.00 C ATOM 353 CD GLU A 23 3.591 -9.139 7.665 1.00 0.00 C ATOM 354 OE1 GLU A 23 4.649 -9.398 8.277 1.00 0.00 O ATOM 355 OE2 GLU A 23 2.522 -8.840 8.239 1.00 0.00 O ATOM 0 H GLU A 23 4.564 -8.035 4.109 1.00 0.00 H new ATOM 0 HA GLU A 23 5.687 -10.652 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.683 -11.035 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.693 -9.605 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.677 -8.181 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.659 -9.607 5.797 1.00 0.00 H new ATOM 362 N ALA A 24 2.406 -10.287 3.594 1.00 0.00 N ATOM 363 CA ALA A 24 1.182 -10.942 3.141 1.00 0.00 C ATOM 364 C ALA A 24 1.240 -11.282 1.656 1.00 0.00 C ATOM 365 O ALA A 24 0.974 -12.417 1.263 1.00 0.00 O ATOM 366 CB ALA A 24 -0.026 -10.064 3.437 1.00 0.00 C ATOM 0 H ALA A 24 2.276 -9.330 3.922 1.00 0.00 H new ATOM 0 HA ALA A 24 1.085 -11.879 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.932 -10.564 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.093 -9.887 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.081 -9.111 2.918 1.00 0.00 H new ATOM 372 N VAL A 25 1.584 -10.298 0.833 1.00 0.00 N ATOM 373 CA VAL A 25 1.668 -10.509 -0.608 1.00 0.00 C ATOM 374 C VAL A 25 2.585 -11.695 -0.930 1.00 0.00 C ATOM 375 O VAL A 25 2.171 -12.643 -1.597 1.00 0.00 O ATOM 376 CB VAL A 25 2.157 -9.224 -1.342 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.626 -8.945 -1.063 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.902 -9.335 -2.838 1.00 0.00 C ATOM 0 H VAL A 25 1.808 -9.350 1.137 1.00 0.00 H new ATOM 0 HA VAL A 25 0.665 -10.739 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 25 1.585 -8.381 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.932 -8.042 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.773 -8.806 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.228 -9.787 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.250 -8.429 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.439 -10.196 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.834 -9.460 -3.017 1.00 0.00 H new ATOM 388 N LYS A 26 3.820 -11.645 -0.441 1.00 0.00 N ATOM 389 CA LYS A 26 4.780 -12.720 -0.665 1.00 0.00 C ATOM 390 C LYS A 26 4.350 -14.000 0.051 1.00 0.00 C ATOM 391 O LYS A 26 4.325 -15.075 -0.550 1.00 0.00 O ATOM 392 CB LYS A 26 6.169 -12.296 -0.186 1.00 0.00 C ATOM 393 CG LYS A 26 6.889 -11.370 -1.155 1.00 0.00 C ATOM 394 CD LYS A 26 7.894 -10.481 -0.438 1.00 0.00 C ATOM 395 CE LYS A 26 8.954 -11.302 0.278 1.00 0.00 C ATOM 396 NZ LYS A 26 8.664 -11.437 1.732 1.00 0.00 N ATOM 0 H LYS A 26 4.180 -10.869 0.115 1.00 0.00 H new ATOM 0 HA LYS A 26 4.816 -12.922 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.075 -11.797 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.777 -13.186 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.402 -11.963 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.160 -10.749 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.372 -9.817 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.374 -9.849 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.013 -12.292 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.929 -10.832 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.529 -11.725 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.334 -10.524 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.926 -12.156 1.874 1.00 0.00 H new ATOM 410 N GLU A 27 4.011 -13.885 1.336 1.00 0.00 N ATOM 411 CA GLU A 27 3.583 -15.043 2.121 1.00 0.00 C ATOM 412 C GLU A 27 2.393 -15.733 1.462 1.00 0.00 C ATOM 413 O GLU A 27 2.350 -16.958 1.363 1.00 0.00 O ATOM 414 CB GLU A 27 3.216 -14.629 3.547 1.00 0.00 C ATOM 415 CG GLU A 27 2.806 -15.795 4.432 1.00 0.00 C ATOM 416 CD GLU A 27 3.987 -16.638 4.872 1.00 0.00 C ATOM 417 OE1 GLU A 27 5.127 -16.129 4.834 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.771 -17.806 5.256 1.00 0.00 O ATOM 0 H GLU A 27 4.024 -13.006 1.853 1.00 0.00 H new ATOM 0 HA GLU A 27 4.418 -15.743 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.068 -14.122 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.399 -13.908 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.289 -15.413 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.097 -16.423 3.893 1.00 0.00 H new ATOM 425 N LEU A 28 1.433 -14.933 1.001 1.00 0.00 N ATOM 426 CA LEU A 28 0.247 -15.463 0.337 1.00 0.00 C ATOM 427 C LEU A 28 0.644 -16.394 -0.808 1.00 0.00 C ATOM 428 O LEU A 28 -0.139 -17.246 -1.230 1.00 0.00 O ATOM 429 CB LEU A 28 -0.620 -14.313 -0.191 1.00 0.00 C ATOM 430 CG LEU A 28 -1.695 -14.713 -1.206 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.741 -15.602 -0.553 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.343 -13.475 -1.808 1.00 0.00 C ATOM 0 H LEU A 28 1.455 -13.916 1.076 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.330 -16.036 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.106 -13.829 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.032 -13.571 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.220 -15.278 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.497 -15.876 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.264 -16.504 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.214 -15.064 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.105 -13.776 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.805 -12.885 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.585 -12.876 -2.312 1.00 0.00 H new ATOM 444 N GLY A 29 1.867 -16.225 -1.303 1.00 0.00 N ATOM 445 CA GLY A 29 2.350 -17.054 -2.390 1.00 0.00 C ATOM 446 C GLY A 29 2.572 -16.266 -3.663 1.00 0.00 C ATOM 447 O GLY A 29 2.191 -16.707 -4.748 1.00 0.00 O ATOM 0 H GLY A 29 2.532 -15.527 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.285 -17.530 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.633 -17.852 -2.581 1.00 0.00 H new ATOM 451 N ILE A 30 3.195 -15.099 -3.534 1.00 0.00 N ATOM 452 CA ILE A 30 3.470 -14.253 -4.688 1.00 0.00 C ATOM 453 C ILE A 30 4.186 -12.969 -4.282 1.00 0.00 C ATOM 454 O ILE A 30 3.701 -12.202 -3.453 1.00 0.00 O ATOM 455 CB ILE A 30 2.177 -13.901 -5.449 1.00 0.00 C ATOM 456 CG1 ILE A 30 2.451 -12.867 -6.547 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.115 -13.392 -4.488 1.00 0.00 C ATOM 458 CD1 ILE A 30 1.252 -12.590 -7.428 1.00 0.00 C ATOM 0 H ILE A 30 3.518 -14.719 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 30 4.122 -14.825 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 30 1.806 -14.809 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.775 -11.935 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.275 -13.218 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.209 -13.148 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.892 -14.163 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.481 -12.499 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.518 -11.849 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.940 -13.512 -7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.433 -12.209 -6.818 1.00 0.00 H new ATOM 470 N ASP A 31 5.337 -12.746 -4.897 1.00 0.00 N ATOM 471 CA ASP A 31 6.141 -11.563 -4.637 1.00 0.00 C ATOM 472 C ASP A 31 5.431 -10.316 -5.141 1.00 0.00 C ATOM 473 O ASP A 31 4.472 -10.407 -5.904 1.00 0.00 O ATOM 474 CB ASP A 31 7.510 -11.694 -5.306 1.00 0.00 C ATOM 475 CG ASP A 31 8.636 -11.190 -4.424 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.789 -9.956 -4.303 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.364 -12.030 -3.853 1.00 0.00 O ATOM 0 H ASP A 31 5.739 -13.379 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 31 6.283 -11.473 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.690 -12.739 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.508 -11.136 -6.242 1.00 0.00 H new ATOM 482 N ALA A 32 5.900 -9.156 -4.705 1.00 0.00 N ATOM 483 CA ALA A 32 5.323 -7.895 -5.106 1.00 0.00 C ATOM 484 C ALA A 32 6.410 -6.851 -5.198 1.00 0.00 C ATOM 485 O ALA A 32 7.574 -7.130 -4.909 1.00 0.00 O ATOM 486 CB ALA A 32 4.252 -7.468 -4.121 1.00 0.00 C ATOM 0 H ALA A 32 6.690 -9.069 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 32 4.856 -8.007 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.826 -6.516 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.467 -8.223 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.692 -7.358 -3.130 1.00 0.00 H new ATOM 492 N GLU A 33 6.039 -5.649 -5.590 1.00 0.00 N ATOM 493 CA GLU A 33 7.009 -4.581 -5.700 1.00 0.00 C ATOM 494 C GLU A 33 6.505 -3.350 -4.971 1.00 0.00 C ATOM 495 O GLU A 33 5.586 -2.675 -5.434 1.00 0.00 O ATOM 496 CB GLU A 33 7.306 -4.238 -7.164 1.00 0.00 C ATOM 497 CG GLU A 33 7.021 -5.366 -8.147 1.00 0.00 C ATOM 498 CD GLU A 33 8.156 -6.368 -8.231 1.00 0.00 C ATOM 499 OE1 GLU A 33 8.336 -7.143 -7.269 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.863 -6.378 -9.260 1.00 0.00 O ATOM 0 H GLU A 33 5.083 -5.390 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 33 7.938 -4.922 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.714 -3.368 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.354 -3.953 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.108 -5.881 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.840 -4.944 -9.136 1.00 0.00 H new ATOM 507 N PHE A 34 7.095 -3.073 -3.821 1.00 0.00 N ATOM 508 CA PHE A 34 6.682 -1.933 -3.024 1.00 0.00 C ATOM 509 C PHE A 34 7.601 -0.741 -3.220 1.00 0.00 C ATOM 510 O PHE A 34 8.744 -0.729 -2.761 1.00 0.00 O ATOM 511 CB PHE A 34 6.619 -2.325 -1.552 1.00 0.00 C ATOM 512 CG PHE A 34 5.665 -3.453 -1.304 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.045 -4.765 -1.543 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.381 -3.203 -0.853 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.160 -5.803 -1.335 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.493 -4.237 -0.643 1.00 0.00 C ATOM 517 CZ PHE A 34 3.882 -5.539 -0.884 1.00 0.00 C ATOM 0 H PHE A 34 7.858 -3.619 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 34 5.690 -1.632 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.614 -2.612 -1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.317 -1.460 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.044 -4.977 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.071 -2.186 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.467 -6.821 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.494 -4.028 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.188 -6.350 -0.720 1.00 0.00 H new ATOM 527 N GLU A 35 7.072 0.265 -3.895 1.00 0.00 N ATOM 528 CA GLU A 35 7.805 1.493 -4.157 1.00 0.00 C ATOM 529 C GLU A 35 7.071 2.669 -3.527 1.00 0.00 C ATOM 530 O GLU A 35 5.847 2.760 -3.614 1.00 0.00 O ATOM 531 CB GLU A 35 7.960 1.713 -5.664 1.00 0.00 C ATOM 532 CG GLU A 35 8.965 2.796 -6.021 1.00 0.00 C ATOM 533 CD GLU A 35 10.312 2.231 -6.430 1.00 0.00 C ATOM 534 OE1 GLU A 35 11.123 1.923 -5.532 1.00 0.00 O ATOM 535 OE2 GLU A 35 10.554 2.095 -7.647 1.00 0.00 O ATOM 0 H GLU A 35 6.126 0.255 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 35 8.800 1.413 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.267 0.777 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.990 1.976 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.567 3.402 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.098 3.459 -5.166 1.00 0.00 H new ATOM 542 N LYS A 36 7.815 3.557 -2.882 1.00 0.00 N ATOM 543 CA LYS A 36 7.211 4.712 -2.233 1.00 0.00 C ATOM 544 C LYS A 36 7.114 5.892 -3.192 1.00 0.00 C ATOM 545 O LYS A 36 7.882 6.000 -4.147 1.00 0.00 O ATOM 546 CB LYS A 36 8.003 5.100 -0.986 1.00 0.00 C ATOM 547 CG LYS A 36 7.457 6.327 -0.271 1.00 0.00 C ATOM 548 CD LYS A 36 8.135 6.535 1.075 1.00 0.00 C ATOM 549 CE LYS A 36 9.554 7.056 0.912 1.00 0.00 C ATOM 550 NZ LYS A 36 10.567 6.037 1.308 1.00 0.00 N ATOM 0 H LYS A 36 8.830 3.501 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 36 6.200 4.438 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.007 4.259 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.039 5.286 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.605 7.209 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.382 6.217 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.554 7.239 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.153 5.593 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.717 7.347 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.684 7.952 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.522 6.430 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.427 5.778 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.460 5.191 0.712 1.00 0.00 H new ATOM 564 N ILE A 37 6.147 6.762 -2.935 1.00 0.00 N ATOM 565 CA ILE A 37 5.914 7.932 -3.773 1.00 0.00 C ATOM 566 C ILE A 37 5.906 9.199 -2.923 1.00 0.00 C ATOM 567 O ILE A 37 4.848 9.674 -2.508 1.00 0.00 O ATOM 568 CB ILE A 37 4.572 7.808 -4.539 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.875 6.481 -4.194 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.794 7.911 -6.038 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.620 5.258 -4.685 1.00 0.00 C ATOM 0 H ILE A 37 5.506 6.679 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 37 6.724 7.991 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 37 3.928 8.632 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.756 6.413 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.874 6.483 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.838 7.821 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.245 8.875 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.459 7.111 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.069 4.360 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.716 5.302 -5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.612 5.231 -4.234 1.00 0.00 H new ATOM 583 N LYS A 38 7.094 9.735 -2.650 1.00 0.00 N ATOM 584 CA LYS A 38 7.223 10.934 -1.831 1.00 0.00 C ATOM 585 C LYS A 38 6.995 12.201 -2.649 1.00 0.00 C ATOM 586 O LYS A 38 7.935 12.923 -2.979 1.00 0.00 O ATOM 587 CB LYS A 38 8.605 10.981 -1.174 1.00 0.00 C ATOM 588 CG LYS A 38 9.751 11.031 -2.171 1.00 0.00 C ATOM 589 CD LYS A 38 10.721 12.159 -1.852 1.00 0.00 C ATOM 590 CE LYS A 38 11.398 12.682 -3.109 1.00 0.00 C ATOM 591 NZ LYS A 38 12.021 11.586 -3.901 1.00 0.00 N ATOM 0 H LYS A 38 7.980 9.356 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 38 6.455 10.889 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.660 11.855 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.726 10.104 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.283 10.080 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.353 11.166 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.187 12.972 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.476 11.804 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.666 13.204 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.161 13.410 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.639 11.994 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.583 10.979 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.276 11.019 -4.355 1.00 0.00 H new ATOM 605 N GLU A 39 5.732 12.465 -2.960 1.00 0.00 N ATOM 606 CA GLU A 39 5.350 13.656 -3.731 1.00 0.00 C ATOM 607 C GLU A 39 3.866 13.618 -4.087 1.00 0.00 C ATOM 608 O GLU A 39 3.422 12.715 -4.795 1.00 0.00 O ATOM 609 CB GLU A 39 6.189 13.759 -5.010 1.00 0.00 C ATOM 610 CG GLU A 39 6.869 15.107 -5.184 1.00 0.00 C ATOM 611 CD GLU A 39 6.875 15.575 -6.626 1.00 0.00 C ATOM 612 OE1 GLU A 39 5.918 15.250 -7.359 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.836 16.268 -7.021 1.00 0.00 O ATOM 0 H GLU A 39 4.947 11.871 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 39 5.538 14.533 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.948 12.977 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.548 13.571 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.361 15.848 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.895 15.041 -4.823 1.00 0.00 H new ATOM 620 N MET A 40 3.098 14.602 -3.603 1.00 0.00 N ATOM 621 CA MET A 40 1.664 14.652 -3.883 1.00 0.00 C ATOM 622 C MET A 40 1.400 14.583 -5.376 1.00 0.00 C ATOM 623 O MET A 40 0.426 13.969 -5.809 1.00 0.00 O ATOM 624 CB MET A 40 1.043 15.919 -3.293 1.00 0.00 C ATOM 625 CG MET A 40 1.559 17.202 -3.924 1.00 0.00 C ATOM 626 SD MET A 40 1.620 18.572 -2.753 1.00 0.00 S ATOM 627 CE MET A 40 2.204 19.894 -3.811 1.00 0.00 C ATOM 0 H MET A 40 3.444 15.365 -3.022 1.00 0.00 H new ATOM 0 HA MET A 40 1.200 13.785 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.039 15.874 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.242 15.946 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.557 17.029 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.918 17.474 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.294 20.812 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.178 19.628 -4.222 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.496 20.048 -4.626 1.00 0.00 H new ATOM 637 N ASP A 41 2.280 15.188 -6.171 1.00 0.00 N ATOM 638 CA ASP A 41 2.126 15.148 -7.617 1.00 0.00 C ATOM 639 C ASP A 41 1.940 13.701 -8.050 1.00 0.00 C ATOM 640 O ASP A 41 1.170 13.398 -8.959 1.00 0.00 O ATOM 641 CB ASP A 41 3.348 15.760 -8.309 1.00 0.00 C ATOM 642 CG ASP A 41 2.964 16.733 -9.406 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.760 16.284 -10.554 1.00 0.00 O ATOM 644 OD2 ASP A 41 2.866 17.944 -9.118 1.00 0.00 O ATOM 0 H ASP A 41 3.095 15.704 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 41 1.253 15.733 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.961 16.274 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.960 14.963 -8.732 1.00 0.00 H new ATOM 649 N GLN A 42 2.638 12.810 -7.350 1.00 0.00 N ATOM 650 CA GLN A 42 2.546 11.384 -7.605 1.00 0.00 C ATOM 651 C GLN A 42 1.383 10.786 -6.814 1.00 0.00 C ATOM 652 O GLN A 42 0.714 9.863 -7.277 1.00 0.00 O ATOM 653 CB GLN A 42 3.854 10.687 -7.223 1.00 0.00 C ATOM 654 CG GLN A 42 5.080 11.288 -7.889 1.00 0.00 C ATOM 655 CD GLN A 42 5.193 10.908 -9.353 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.026 10.083 -9.730 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.354 11.510 -10.186 1.00 0.00 N ATOM 0 H GLN A 42 3.278 13.059 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 42 2.369 11.231 -8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.979 10.734 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.786 9.633 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.041 12.374 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.975 10.957 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.680 12.187 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.383 11.295 -11.183 1.00 0.00 H new ATOM 666 N ILE A 43 1.157 11.320 -5.611 1.00 0.00 N ATOM 667 CA ILE A 43 0.083 10.839 -4.752 1.00 0.00 C ATOM 668 C ILE A 43 -1.280 10.998 -5.417 1.00 0.00 C ATOM 669 O ILE A 43 -2.022 10.030 -5.574 1.00 0.00 O ATOM 670 CB ILE A 43 0.075 11.554 -3.382 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.476 11.548 -2.765 1.00 0.00 C ATOM 672 CG2 ILE A 43 -0.912 10.881 -2.441 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.545 12.197 -1.399 1.00 0.00 C ATOM 0 H ILE A 43 1.705 12.084 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 43 0.274 9.779 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.234 12.588 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.823 10.518 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.161 12.064 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.907 11.395 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.913 10.925 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.625 9.839 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.569 12.154 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.229 13.238 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.887 11.667 -0.711 1.00 0.00 H new ATOM 685 N LEU A 44 -1.594 12.220 -5.814 1.00 0.00 N ATOM 686 CA LEU A 44 -2.868 12.511 -6.466 1.00 0.00 C ATOM 687 C LEU A 44 -2.981 11.787 -7.804 1.00 0.00 C ATOM 688 O LEU A 44 -4.068 11.358 -8.195 1.00 0.00 O ATOM 689 CB LEU A 44 -3.047 14.027 -6.644 1.00 0.00 C ATOM 690 CG LEU A 44 -2.574 14.618 -7.978 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.217 15.975 -8.213 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.058 14.736 -8.001 1.00 0.00 C ATOM 0 H LEU A 44 -0.986 13.030 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.669 12.144 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.104 14.263 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.513 14.531 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.879 13.947 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.872 16.382 -9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.301 15.864 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.940 16.653 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.740 15.157 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.731 15.387 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.614 13.748 -7.875 1.00 0.00 H new ATOM 704 N GLU A 45 -1.857 11.641 -8.498 1.00 0.00 N ATOM 705 CA GLU A 45 -1.846 10.953 -9.782 1.00 0.00 C ATOM 706 C GLU A 45 -2.324 9.517 -9.612 1.00 0.00 C ATOM 707 O GLU A 45 -2.779 8.884 -10.565 1.00 0.00 O ATOM 708 CB GLU A 45 -0.444 10.972 -10.388 1.00 0.00 C ATOM 709 CG GLU A 45 -0.436 10.942 -11.908 1.00 0.00 C ATOM 710 CD GLU A 45 0.746 11.684 -12.502 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.372 12.484 -11.775 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.045 11.464 -13.695 1.00 0.00 O ATOM 0 H GLU A 45 -0.947 11.988 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.523 11.473 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.077 11.867 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.116 10.115 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.417 9.906 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.361 11.382 -12.281 1.00 0.00 H new ATOM 719 N ALA A 46 -2.235 9.018 -8.383 1.00 0.00 N ATOM 720 CA ALA A 46 -2.673 7.670 -8.073 1.00 0.00 C ATOM 721 C ALA A 46 -4.190 7.608 -8.090 1.00 0.00 C ATOM 722 O ALA A 46 -4.778 6.632 -8.555 1.00 0.00 O ATOM 723 CB ALA A 46 -2.137 7.238 -6.717 1.00 0.00 C ATOM 0 H ALA A 46 -1.861 9.533 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.283 6.987 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.474 6.225 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.047 7.263 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.505 7.917 -5.947 1.00 0.00 H new ATOM 729 N GLY A 47 -4.820 8.668 -7.590 1.00 0.00 N ATOM 730 CA GLY A 47 -6.266 8.716 -7.571 1.00 0.00 C ATOM 731 C GLY A 47 -6.845 8.954 -6.188 1.00 0.00 C ATOM 732 O GLY A 47 -8.026 9.280 -6.060 1.00 0.00 O ATOM 0 H GLY A 47 -4.355 9.488 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.604 9.508 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.658 7.778 -7.964 1.00 0.00 H new ATOM 736 N LEU A 48 -6.031 8.792 -5.148 1.00 0.00 N ATOM 737 CA LEU A 48 -6.511 8.998 -3.786 1.00 0.00 C ATOM 738 C LEU A 48 -6.691 10.484 -3.485 1.00 0.00 C ATOM 739 O LEU A 48 -6.090 11.339 -4.136 1.00 0.00 O ATOM 740 CB LEU A 48 -5.570 8.355 -2.749 1.00 0.00 C ATOM 741 CG LEU A 48 -4.069 8.654 -2.878 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.357 7.534 -3.616 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.821 9.995 -3.552 1.00 0.00 C ATOM 0 H LEU A 48 -5.050 8.523 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.482 8.508 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.893 8.673 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.704 7.274 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.657 8.714 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.295 7.768 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.483 6.600 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.781 7.429 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.748 10.172 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.257 9.986 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.280 10.789 -2.963 1.00 0.00 H new ATOM 755 N THR A 49 -7.522 10.782 -2.492 1.00 0.00 N ATOM 756 CA THR A 49 -7.783 12.162 -2.096 1.00 0.00 C ATOM 757 C THR A 49 -7.115 12.485 -0.763 1.00 0.00 C ATOM 758 O THR A 49 -7.049 13.642 -0.351 1.00 0.00 O ATOM 759 CB THR A 49 -9.294 12.439 -1.979 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.512 13.787 -1.542 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.946 11.474 -1.002 1.00 0.00 C ATOM 0 H THR A 49 -8.028 10.085 -1.945 1.00 0.00 H new ATOM 0 HA THR A 49 -7.365 12.799 -2.875 1.00 0.00 H new ATOM 0 HB THR A 49 -9.745 12.297 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.696 14.130 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.013 11.689 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.803 10.451 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.491 11.589 -0.018 1.00 0.00 H new ATOM 769 N ALA A 50 -6.614 11.448 -0.099 1.00 0.00 N ATOM 770 CA ALA A 50 -5.943 11.603 1.182 1.00 0.00 C ATOM 771 C ALA A 50 -4.433 11.521 1.001 1.00 0.00 C ATOM 772 O ALA A 50 -3.943 11.438 -0.125 1.00 0.00 O ATOM 773 CB ALA A 50 -6.421 10.533 2.150 1.00 0.00 C ATOM 0 H ALA A 50 -6.662 10.485 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.187 12.582 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.914 10.656 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.497 10.628 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.195 9.547 1.743 1.00 0.00 H new ATOM 779 N LEU A 51 -3.694 11.550 2.105 1.00 0.00 N ATOM 780 CA LEU A 51 -2.241 11.483 2.027 1.00 0.00 C ATOM 781 C LEU A 51 -1.742 10.042 2.066 1.00 0.00 C ATOM 782 O LEU A 51 -1.008 9.614 1.177 1.00 0.00 O ATOM 783 CB LEU A 51 -1.584 12.308 3.142 1.00 0.00 C ATOM 784 CG LEU A 51 -2.493 13.333 3.825 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.714 14.131 4.859 1.00 0.00 C ATOM 786 CD2 LEU A 51 -3.117 14.261 2.793 1.00 0.00 C ATOM 0 H LEU A 51 -4.071 11.618 3.050 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.952 11.913 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.203 11.624 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.724 12.832 2.724 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.293 12.798 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.376 14.855 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.313 13.455 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.893 14.656 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.760 14.984 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.330 14.789 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.709 13.676 2.089 1.00 0.00 H new ATOM 798 N PRO A 52 -2.132 9.269 3.091 1.00 0.00 N ATOM 799 CA PRO A 52 -1.716 7.871 3.229 1.00 0.00 C ATOM 800 C PRO A 52 -2.365 6.964 2.184 1.00 0.00 C ATOM 801 O PRO A 52 -2.957 5.939 2.524 1.00 0.00 O ATOM 802 CB PRO A 52 -2.188 7.479 4.640 1.00 0.00 C ATOM 803 CG PRO A 52 -2.605 8.754 5.299 1.00 0.00 C ATOM 804 CD PRO A 52 -3.002 9.686 4.193 1.00 0.00 C ATOM 0 HA PRO A 52 -0.642 7.759 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.018 6.774 4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.388 6.993 5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.437 8.585 5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.789 9.173 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.057 9.584 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.839 10.729 4.465 1.00 0.00 H new ATOM 812 N GLY A 53 -2.252 7.339 0.912 1.00 0.00 N ATOM 813 CA GLY A 53 -2.831 6.540 -0.147 1.00 0.00 C ATOM 814 C GLY A 53 -2.071 5.253 -0.374 1.00 0.00 C ATOM 815 O GLY A 53 -0.892 5.152 -0.036 1.00 0.00 O ATOM 0 H GLY A 53 -1.770 8.182 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.867 6.309 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.845 7.119 -1.070 1.00 0.00 H new ATOM 819 N LEU A 54 -2.744 4.265 -0.948 1.00 0.00 N ATOM 820 CA LEU A 54 -2.118 2.978 -1.219 1.00 0.00 C ATOM 821 C LEU A 54 -2.808 2.276 -2.377 1.00 0.00 C ATOM 822 O LEU A 54 -3.878 1.688 -2.212 1.00 0.00 O ATOM 823 CB LEU A 54 -2.158 2.096 0.032 1.00 0.00 C ATOM 824 CG LEU A 54 -0.874 1.315 0.314 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.920 0.695 1.701 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.661 0.242 -0.744 1.00 0.00 C ATOM 0 H LEU A 54 -3.721 4.330 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.078 3.154 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.380 2.725 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.981 1.389 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.034 2.008 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.002 0.143 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.026 1.482 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.769 0.015 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.257 -0.304 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.504 -0.448 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.583 0.709 -1.726 1.00 0.00 H new ATOM 838 N ALA A 55 -2.192 2.336 -3.552 1.00 0.00 N ATOM 839 CA ALA A 55 -2.758 1.700 -4.732 1.00 0.00 C ATOM 840 C ALA A 55 -2.078 0.366 -5.006 1.00 0.00 C ATOM 841 O ALA A 55 -0.854 0.290 -5.108 1.00 0.00 O ATOM 842 CB ALA A 55 -2.638 2.616 -5.940 1.00 0.00 C ATOM 0 H ALA A 55 -1.306 2.816 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.815 1.512 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.066 2.124 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.175 3.545 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.587 2.836 -6.127 1.00 0.00 H new ATOM 848 N VAL A 56 -2.879 -0.687 -5.120 1.00 0.00 N ATOM 849 CA VAL A 56 -2.352 -2.019 -5.375 1.00 0.00 C ATOM 850 C VAL A 56 -2.855 -2.575 -6.695 1.00 0.00 C ATOM 851 O VAL A 56 -4.015 -2.390 -7.063 1.00 0.00 O ATOM 852 CB VAL A 56 -2.709 -3.000 -4.247 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.620 -2.989 -3.193 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.064 -2.662 -3.636 1.00 0.00 C ATOM 0 H VAL A 56 -3.895 -0.643 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.268 -1.915 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.781 -4.004 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.878 -3.686 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.674 -3.288 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.524 -1.985 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.292 -3.372 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.036 -1.653 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.834 -2.719 -4.405 1.00 0.00 H new ATOM 864 N ASP A 57 -1.963 -3.257 -7.404 1.00 0.00 N ATOM 865 CA ASP A 57 -2.294 -3.848 -8.699 1.00 0.00 C ATOM 866 C ASP A 57 -3.077 -2.867 -9.572 1.00 0.00 C ATOM 867 O ASP A 57 -3.859 -3.273 -10.430 1.00 0.00 O ATOM 868 CB ASP A 57 -3.099 -5.135 -8.504 1.00 0.00 C ATOM 869 CG ASP A 57 -2.301 -6.375 -8.856 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.474 -6.304 -9.790 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.504 -7.419 -8.200 1.00 0.00 O ATOM 0 H ASP A 57 -1.001 -3.416 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.360 -4.084 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.428 -5.201 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.996 -5.096 -9.122 1.00 0.00 H new ATOM 876 N GLY A 58 -2.863 -1.574 -9.343 1.00 0.00 N ATOM 877 CA GLY A 58 -3.558 -0.557 -10.113 1.00 0.00 C ATOM 878 C GLY A 58 -4.974 -0.325 -9.621 1.00 0.00 C ATOM 879 O GLY A 58 -5.876 -0.049 -10.413 1.00 0.00 O ATOM 0 H GLY A 58 -2.221 -1.213 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.001 0.378 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.585 -0.854 -11.161 1.00 0.00 H new ATOM 883 N GLU A 59 -5.171 -0.438 -8.311 1.00 0.00 N ATOM 884 CA GLU A 59 -6.487 -0.241 -7.715 1.00 0.00 C ATOM 885 C GLU A 59 -6.370 0.385 -6.328 1.00 0.00 C ATOM 886 O GLU A 59 -6.092 -0.304 -5.346 1.00 0.00 O ATOM 887 CB GLU A 59 -7.233 -1.575 -7.630 1.00 0.00 C ATOM 888 CG GLU A 59 -8.529 -1.599 -8.426 1.00 0.00 C ATOM 889 CD GLU A 59 -8.493 -2.593 -9.569 1.00 0.00 C ATOM 890 OE1 GLU A 59 -7.522 -2.561 -10.354 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.437 -3.405 -9.680 1.00 0.00 O ATOM 0 H GLU A 59 -4.435 -0.665 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.050 0.442 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.580 -2.370 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.454 -1.792 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.355 -1.847 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.726 -0.603 -8.822 1.00 0.00 H new ATOM 898 N LEU A 60 -6.585 1.695 -6.258 1.00 0.00 N ATOM 899 CA LEU A 60 -6.504 2.417 -4.992 1.00 0.00 C ATOM 900 C LEU A 60 -7.664 2.046 -4.076 1.00 0.00 C ATOM 901 O LEU A 60 -8.822 2.044 -4.493 1.00 0.00 O ATOM 902 CB LEU A 60 -6.504 3.926 -5.243 1.00 0.00 C ATOM 903 CG LEU A 60 -5.698 4.375 -6.465 1.00 0.00 C ATOM 904 CD1 LEU A 60 -6.623 4.853 -7.572 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.712 5.469 -6.081 1.00 0.00 C ATOM 0 H LEU A 60 -6.816 2.278 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.573 2.134 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.535 4.260 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.107 4.427 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.135 3.519 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.030 5.168 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.287 4.041 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.216 5.694 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.148 5.776 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.256 6.325 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.025 5.090 -5.324 1.00 0.00 H new ATOM 917 N LYS A 61 -7.345 1.728 -2.824 1.00 0.00 N ATOM 918 CA LYS A 61 -8.366 1.352 -1.852 1.00 0.00 C ATOM 919 C LYS A 61 -8.005 1.821 -0.442 1.00 0.00 C ATOM 920 O LYS A 61 -8.637 1.416 0.532 1.00 0.00 O ATOM 921 CB LYS A 61 -8.569 -0.165 -1.863 1.00 0.00 C ATOM 922 CG LYS A 61 -10.024 -0.581 -2.004 1.00 0.00 C ATOM 923 CD LYS A 61 -10.188 -1.715 -3.003 1.00 0.00 C ATOM 924 CE LYS A 61 -11.645 -1.915 -3.386 1.00 0.00 C ATOM 925 NZ LYS A 61 -11.788 -2.481 -4.755 1.00 0.00 N ATOM 0 H LYS A 61 -6.392 1.723 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.295 1.845 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.995 -0.594 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.167 -0.584 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.410 -0.892 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.618 0.275 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.602 -1.501 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.793 -2.637 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.121 -2.581 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.169 -0.961 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.797 -2.602 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.357 -1.834 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.311 -3.404 -4.801 1.00 0.00 H new ATOM 939 N ILE A 62 -6.989 2.674 -0.334 1.00 0.00 N ATOM 940 CA ILE A 62 -6.561 3.186 0.964 1.00 0.00 C ATOM 941 C ILE A 62 -6.363 4.699 0.902 1.00 0.00 C ATOM 942 O ILE A 62 -5.611 5.196 0.067 1.00 0.00 O ATOM 943 CB ILE A 62 -5.257 2.496 1.422 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.547 1.055 1.850 1.00 0.00 C ATOM 945 CG2 ILE A 62 -4.593 3.260 2.559 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.402 0.050 0.727 1.00 0.00 C ATOM 0 H ILE A 62 -6.449 3.023 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.342 2.964 1.691 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.567 2.488 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.871 0.782 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.560 1.000 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.678 2.747 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.351 4.269 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.273 3.311 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.622 -0.949 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.097 0.298 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.382 0.077 0.344 1.00 0.00 H new ATOM 958 N MET A 63 -7.054 5.429 1.777 1.00 0.00 N ATOM 959 CA MET A 63 -6.950 6.885 1.794 1.00 0.00 C ATOM 960 C MET A 63 -7.085 7.462 3.202 1.00 0.00 C ATOM 961 O MET A 63 -8.095 7.247 3.874 1.00 0.00 O ATOM 962 CB MET A 63 -8.025 7.491 0.896 1.00 0.00 C ATOM 963 CG MET A 63 -7.634 7.533 -0.569 1.00 0.00 C ATOM 964 SD MET A 63 -8.926 6.903 -1.658 1.00 0.00 S ATOM 965 CE MET A 63 -8.314 5.254 -1.992 1.00 0.00 C ATOM 0 H MET A 63 -7.686 5.039 2.477 1.00 0.00 H new ATOM 0 HA MET A 63 -5.957 7.141 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.944 6.915 1.003 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.243 8.504 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.400 8.560 -0.848 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.726 6.948 -0.714 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.699 4.911 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.225 5.269 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.645 4.577 -1.205 1.00 0.00 H new ATOM 975 N GLY A 64 -6.079 8.223 3.633 1.00 0.00 N ATOM 976 CA GLY A 64 -6.139 8.847 4.948 1.00 0.00 C ATOM 977 C GLY A 64 -6.002 7.869 6.096 1.00 0.00 C ATOM 978 O GLY A 64 -6.170 8.241 7.256 1.00 0.00 O ATOM 0 H GLY A 64 -5.231 8.418 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.348 9.593 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.087 9.377 5.045 1.00 0.00 H new ATOM 982 N ARG A 65 -5.699 6.621 5.780 1.00 0.00 N ATOM 983 CA ARG A 65 -5.545 5.597 6.806 1.00 0.00 C ATOM 984 C ARG A 65 -5.116 4.279 6.185 1.00 0.00 C ATOM 985 O ARG A 65 -5.934 3.547 5.630 1.00 0.00 O ATOM 986 CB ARG A 65 -6.849 5.411 7.587 1.00 0.00 C ATOM 987 CG ARG A 65 -8.105 5.591 6.744 1.00 0.00 C ATOM 988 CD ARG A 65 -9.373 5.375 7.560 1.00 0.00 C ATOM 989 NE ARG A 65 -9.169 5.622 8.987 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.078 6.836 9.526 1.00 0.00 C ATOM 991 NH1 ARG A 65 -9.178 7.918 8.763 1.00 0.00 N ATOM 992 NH2 ARG A 65 -8.887 6.969 10.831 1.00 0.00 N ATOM 0 H ARG A 65 -5.555 6.291 4.826 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.770 5.926 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.858 4.414 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.872 6.123 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.115 6.594 6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.086 4.889 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.157 6.035 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.723 4.353 7.418 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.092 4.816 9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.325 7.822 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.108 8.845 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.810 6.141 11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.817 7.899 11.244 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.825 3.985 6.276 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.290 2.757 5.714 1.00 0.00 C ATOM 1008 C VAL A 66 -4.012 1.535 6.283 1.00 0.00 C ATOM 1009 O VAL A 66 -4.354 1.501 7.465 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.766 2.642 5.957 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.454 1.916 7.260 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.093 1.953 4.780 1.00 0.00 C ATOM 0 H VAL A 66 -3.133 4.580 6.733 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.460 2.790 4.638 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.367 3.652 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.374 1.856 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.893 2.462 8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.872 0.910 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.021 1.879 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.509 0.953 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.265 2.532 3.873 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.244 0.538 5.436 1.00 0.00 N ATOM 1023 CA ALA A 67 -4.931 -0.676 5.859 1.00 0.00 C ATOM 1024 C ALA A 67 -4.125 -1.425 6.913 1.00 0.00 C ATOM 1025 O ALA A 67 -2.983 -1.071 7.205 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.199 -1.575 4.662 1.00 0.00 C ATOM 0 H ALA A 67 -3.967 0.547 4.454 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.883 -0.387 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.712 -2.478 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.823 -1.046 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.254 -1.847 4.192 1.00 0.00 H new ATOM 1032 N SER A 68 -4.730 -2.463 7.484 1.00 0.00 N ATOM 1033 CA SER A 68 -4.071 -3.265 8.508 1.00 0.00 C ATOM 1034 C SER A 68 -3.720 -4.648 7.967 1.00 0.00 C ATOM 1035 O SER A 68 -4.318 -5.115 6.998 1.00 0.00 O ATOM 1036 CB SER A 68 -4.969 -3.398 9.739 1.00 0.00 C ATOM 1037 OG SER A 68 -4.686 -2.386 10.689 1.00 0.00 O ATOM 0 H SER A 68 -5.676 -2.768 7.254 1.00 0.00 H new ATOM 0 HA SER A 68 -3.149 -2.760 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.015 -3.336 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.825 -4.378 10.194 1.00 0.00 H new ATOM 0 HG SER A 68 -5.275 -2.492 11.465 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.747 -5.297 8.599 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.317 -6.627 8.176 1.00 0.00 C ATOM 1045 C LYS A 69 -3.493 -7.600 8.133 1.00 0.00 C ATOM 1046 O LYS A 69 -3.608 -8.408 7.213 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.235 -7.160 9.119 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.725 -7.394 10.539 1.00 0.00 C ATOM 1049 CD LYS A 69 -0.581 -7.755 11.472 1.00 0.00 C ATOM 1050 CE LYS A 69 -0.991 -8.828 12.469 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.498 -10.175 12.069 1.00 0.00 N ATOM 0 H LYS A 69 -2.242 -4.926 9.404 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.907 -6.541 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.846 -8.096 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.405 -6.454 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.225 -6.497 10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.465 -8.195 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.269 -8.106 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.253 -6.865 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.600 -8.576 13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.078 -8.849 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.798 -10.878 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.891 -10.427 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.540 -10.162 12.013 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.364 -7.515 9.134 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.529 -8.389 9.207 1.00 0.00 C ATOM 1067 C GLU A 70 -6.426 -8.206 7.987 1.00 0.00 C ATOM 1068 O GLU A 70 -6.950 -9.176 7.439 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.324 -8.112 10.484 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.786 -6.669 10.613 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.572 -6.420 11.886 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -7.352 -7.155 12.872 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -8.407 -5.492 11.897 1.00 0.00 O ATOM 0 H GLU A 70 -4.285 -6.851 9.904 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.175 -9.420 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.195 -8.767 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.709 -8.366 11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.918 -6.010 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.403 -6.411 9.753 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.597 -6.957 7.566 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.431 -6.649 6.410 1.00 0.00 C ATOM 1082 C GLU A 71 -6.841 -7.248 5.137 1.00 0.00 C ATOM 1083 O GLU A 71 -7.571 -7.720 4.266 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.581 -5.134 6.254 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.647 -4.533 7.156 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.686 -3.740 6.387 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.661 -4.352 5.903 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -9.526 -2.507 6.270 1.00 0.00 O ATOM 0 H GLU A 71 -6.170 -6.143 8.007 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.414 -7.090 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.624 -4.658 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.824 -4.906 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.142 -5.332 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.171 -3.884 7.891 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.516 -7.227 5.036 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.830 -7.769 3.869 1.00 0.00 C ATOM 1097 C ILE A 72 -5.147 -9.251 3.688 1.00 0.00 C ATOM 1098 O ILE A 72 -5.600 -9.673 2.625 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.301 -7.588 3.979 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.954 -6.112 4.182 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.606 -8.133 2.739 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.317 -5.238 3.001 1.00 0.00 C ATOM 0 H ILE A 72 -4.896 -6.841 5.748 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.190 -7.214 3.002 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.948 -8.150 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.471 -5.744 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.885 -6.022 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.529 -7.996 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.829 -9.195 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.962 -7.599 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.043 -4.205 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.780 -5.580 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.390 -5.298 2.820 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.904 -10.035 4.733 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.164 -11.469 4.691 1.00 0.00 C ATOM 1116 C LYS A 73 -6.624 -11.751 4.350 1.00 0.00 C ATOM 1117 O LYS A 73 -6.939 -12.744 3.693 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.810 -12.112 6.034 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.343 -13.554 5.915 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.309 -13.895 6.975 1.00 0.00 C ATOM 1121 CE LYS A 73 -2.197 -14.764 6.409 1.00 0.00 C ATOM 1122 NZ LYS A 73 -2.652 -16.162 6.172 1.00 0.00 N ATOM 0 H LYS A 73 -4.527 -9.701 5.620 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.538 -11.902 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.027 -11.524 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.682 -12.074 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.198 -14.223 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.918 -13.719 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.884 -12.976 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.792 -14.414 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.841 -14.334 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.353 -14.769 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.865 -16.722 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.968 -16.581 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.441 -16.160 5.494 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.512 -10.872 4.801 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.939 -11.026 4.545 1.00 0.00 C ATOM 1138 C LYS A 74 -9.255 -10.823 3.066 1.00 0.00 C ATOM 1139 O LYS A 74 -10.073 -11.541 2.491 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.740 -10.037 5.394 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.264 -10.634 6.691 1.00 0.00 C ATOM 1142 CD LYS A 74 -11.754 -10.383 6.861 1.00 0.00 C ATOM 1143 CE LYS A 74 -12.579 -11.537 6.315 1.00 0.00 C ATOM 1144 NZ LYS A 74 -13.884 -11.668 7.019 1.00 0.00 N ATOM 0 H LYS A 74 -7.268 -10.045 5.346 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.224 -12.042 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.111 -9.178 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.581 -9.666 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.072 -11.707 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.724 -10.204 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.982 -10.239 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.030 -9.462 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.755 -11.386 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.017 -12.465 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.417 -12.466 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.717 -11.838 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.432 -10.792 6.901 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.598 -9.843 2.454 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.803 -9.550 1.044 1.00 0.00 C ATOM 1160 C ILE A 75 -8.096 -10.586 0.179 1.00 0.00 C ATOM 1161 O ILE A 75 -8.608 -10.999 -0.861 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.298 -8.131 0.686 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.279 -7.074 1.200 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -8.097 -7.986 -0.818 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -8.649 -6.077 2.149 1.00 0.00 C ATOM 0 H ILE A 75 -7.918 -9.238 2.915 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.874 -9.590 0.848 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.334 -7.980 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.701 -6.538 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.106 -7.572 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.742 -6.980 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.362 -8.715 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.044 -8.159 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.401 -5.358 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.251 -6.602 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.840 -5.552 1.641 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.915 -11.001 0.621 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.134 -11.986 -0.109 1.00 0.00 C ATOM 1179 C LEU A 76 -6.394 -13.400 0.408 1.00 0.00 C ATOM 1180 O LEU A 76 -5.685 -14.340 0.046 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.642 -11.661 -0.007 1.00 0.00 C ATOM 1182 CG LEU A 76 -4.168 -10.508 -0.892 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -2.696 -10.213 -0.644 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -4.408 -10.829 -2.359 1.00 0.00 C ATOM 0 H LEU A 76 -6.479 -10.669 1.482 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.442 -11.945 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.408 -11.422 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.073 -12.554 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.744 -9.619 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.377 -9.390 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.551 -9.939 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.104 -11.099 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.065 -9.997 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.859 -11.731 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.473 -10.989 -2.527 1.00 0.00 H new ATOM 1196 N SER A 77 -7.413 -13.551 1.253 1.00 0.00 N ATOM 1197 CA SER A 77 -7.760 -14.855 1.814 1.00 0.00 C ATOM 1198 C SER A 77 -6.530 -15.551 2.392 1.00 0.00 C ATOM 1199 O SER A 77 -5.878 -16.312 1.647 1.00 0.00 O ATOM 1200 CB SER A 77 -8.408 -15.741 0.747 1.00 0.00 C ATOM 1201 OG SER A 77 -8.012 -15.350 -0.556 1.00 0.00 O ATOM 1202 OXT SER A 77 -6.230 -15.326 3.583 1.00 0.00 O ATOM 0 H SER A 77 -8.012 -12.786 1.564 1.00 0.00 H new ATOM 0 HA SER A 77 -8.473 -14.691 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.130 -16.781 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.493 -15.683 0.833 1.00 0.00 H new ATOM 0 HG SER A 77 -7.035 -15.379 -0.624 1.00 0.00 H new TER 1208 SER A 77