USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 MET CE :methyl -118:sc= -17.4! (180deg=-16.9!) USER MOD Set 1.2: A 31 TYR OH : rot -159:sc= -5.02! USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0468 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.159) USER MOD Single : A 10 LYS NZ :NH3+ 146:sc= 0.0772 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.49) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.0923 (180deg=-0.439) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -0.0714 (180deg=-0.127) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 1.19 K(o=1.2,f=-0.09) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.195 K(o=-0.19,f=-0.81!) USER MOD Single : A 35 CYS SG : rot -123:sc= 0.00154 USER MOD Single : A 38 MET CE :methyl -149:sc= -0.464 (180deg=-0.98) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.4!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.992 -8.369 -5.208 1.00 0.00 N ATOM 2 CA GLY A 1 -8.590 -8.861 -5.117 1.00 0.00 C ATOM 3 C GLY A 1 -7.627 -8.022 -5.935 1.00 0.00 C ATOM 4 O GLY A 1 -7.922 -6.874 -6.264 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.444 -8.434 -4.274 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.992 -7.379 -5.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.521 -8.951 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.274 -8.858 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.548 -9.895 -5.460 1.00 0.00 H new ATOM 10 N GLY A 2 -6.475 -8.597 -6.263 1.00 0.00 N ATOM 11 CA GLY A 2 -5.485 -7.878 -7.044 1.00 0.00 C ATOM 12 C GLY A 2 -4.066 -8.243 -6.659 1.00 0.00 C ATOM 13 O GLY A 2 -3.827 -8.775 -5.574 1.00 0.00 O ATOM 0 H GLY A 2 -6.209 -9.547 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.637 -8.091 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.630 -6.806 -6.910 1.00 0.00 H new ATOM 17 N SER A 3 -3.120 -7.957 -7.548 1.00 0.00 N ATOM 18 CA SER A 3 -1.716 -8.260 -7.295 1.00 0.00 C ATOM 19 C SER A 3 -1.013 -7.074 -6.642 1.00 0.00 C ATOM 20 O SER A 3 -1.341 -5.919 -6.913 1.00 0.00 O ATOM 21 CB SER A 3 -1.010 -8.633 -8.599 1.00 0.00 C ATOM 22 OG SER A 3 -1.105 -10.025 -8.851 1.00 0.00 O ATOM 0 H SER A 3 -3.300 -7.516 -8.450 1.00 0.00 H new ATOM 0 HA SER A 3 -1.670 -9.107 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.453 -8.079 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.039 -8.341 -8.545 1.00 0.00 H new ATOM 0 HG SER A 3 -0.647 -10.237 -9.691 1.00 0.00 H new ATOM 28 N VAL A 4 -0.042 -7.368 -5.784 1.00 0.00 N ATOM 29 CA VAL A 4 0.711 -6.327 -5.096 1.00 0.00 C ATOM 30 C VAL A 4 1.566 -5.535 -6.081 1.00 0.00 C ATOM 31 O VAL A 4 1.850 -4.357 -5.866 1.00 0.00 O ATOM 32 CB VAL A 4 1.609 -6.924 -3.990 1.00 0.00 C ATOM 33 CG1 VAL A 4 2.551 -5.873 -3.420 1.00 0.00 C ATOM 34 CG2 VAL A 4 0.757 -7.533 -2.886 1.00 0.00 C ATOM 0 H VAL A 4 0.242 -8.319 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.011 -5.655 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 4 2.217 -7.711 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.170 -6.322 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.189 -5.487 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.969 -5.056 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.405 -7.949 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.122 -6.762 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.133 -8.324 -3.302 1.00 0.00 H new ATOM 44 N GLU A 5 1.971 -6.191 -7.163 1.00 0.00 N ATOM 45 CA GLU A 5 2.791 -5.549 -8.183 1.00 0.00 C ATOM 46 C GLU A 5 2.042 -4.381 -8.817 1.00 0.00 C ATOM 47 O GLU A 5 2.606 -3.305 -9.025 1.00 0.00 O ATOM 48 CB GLU A 5 3.189 -6.564 -9.257 1.00 0.00 C ATOM 49 CG GLU A 5 3.644 -7.900 -8.691 1.00 0.00 C ATOM 50 CD GLU A 5 4.783 -7.753 -7.700 1.00 0.00 C ATOM 51 OE1 GLU A 5 4.746 -8.429 -6.650 1.00 0.00 O ATOM 52 OE2 GLU A 5 5.710 -6.964 -7.974 1.00 0.00 O ATOM 0 H GLU A 5 1.745 -7.167 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 5 3.694 -5.165 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.341 -6.730 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.991 -6.143 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.802 -8.389 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.959 -8.549 -9.508 1.00 0.00 H new ATOM 59 N ASP A 6 0.764 -4.597 -9.111 1.00 0.00 N ATOM 60 CA ASP A 6 -0.066 -3.560 -9.709 1.00 0.00 C ATOM 61 C ASP A 6 -0.299 -2.432 -8.714 1.00 0.00 C ATOM 62 O ASP A 6 -0.251 -1.254 -9.070 1.00 0.00 O ATOM 63 CB ASP A 6 -1.405 -4.144 -10.163 1.00 0.00 C ATOM 64 CG ASP A 6 -2.214 -3.161 -10.987 1.00 0.00 C ATOM 65 OD1 ASP A 6 -1.601 -2.322 -11.681 1.00 0.00 O ATOM 66 OD2 ASP A 6 -3.460 -3.230 -10.938 1.00 0.00 O ATOM 0 H ASP A 6 0.282 -5.480 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 6 0.454 -3.160 -10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.225 -5.045 -10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.983 -4.443 -9.289 1.00 0.00 H new ATOM 71 N ILE A 7 -0.539 -2.802 -7.460 1.00 0.00 N ATOM 72 CA ILE A 7 -0.766 -1.826 -6.405 1.00 0.00 C ATOM 73 C ILE A 7 0.485 -0.986 -6.177 1.00 0.00 C ATOM 74 O ILE A 7 0.405 0.224 -5.971 1.00 0.00 O ATOM 75 CB ILE A 7 -1.168 -2.511 -5.083 1.00 0.00 C ATOM 76 CG1 ILE A 7 -2.378 -3.421 -5.303 1.00 0.00 C ATOM 77 CG2 ILE A 7 -1.466 -1.473 -4.009 1.00 0.00 C ATOM 78 CD1 ILE A 7 -2.536 -4.483 -4.237 1.00 0.00 C ATOM 0 H ILE A 7 -0.581 -3.773 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.584 -1.182 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.332 -3.122 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.281 -2.811 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.287 -3.904 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.748 -1.977 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.579 -0.864 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.285 -0.834 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.413 -5.091 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.650 -5.117 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.659 -4.007 -3.264 1.00 0.00 H new ATOM 90 N LYS A 8 1.642 -1.639 -6.224 1.00 0.00 N ATOM 91 CA LYS A 8 2.913 -0.954 -6.031 1.00 0.00 C ATOM 92 C LYS A 8 3.167 0.033 -7.163 1.00 0.00 C ATOM 93 O LYS A 8 3.548 1.180 -6.928 1.00 0.00 O ATOM 94 CB LYS A 8 4.057 -1.967 -5.959 1.00 0.00 C ATOM 95 CG LYS A 8 4.077 -2.775 -4.672 1.00 0.00 C ATOM 96 CD LYS A 8 5.004 -3.975 -4.784 1.00 0.00 C ATOM 97 CE LYS A 8 5.445 -4.468 -3.415 1.00 0.00 C ATOM 98 NZ LYS A 8 5.837 -5.904 -3.442 1.00 0.00 N ATOM 0 H LYS A 8 1.724 -2.641 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 8 2.865 -0.404 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.980 -2.650 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.005 -1.439 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.400 -2.140 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.068 -3.114 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.496 -4.780 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.880 -3.706 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.286 -3.869 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.635 -4.326 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.885 -6.269 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.132 -6.446 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.768 -6.001 -3.895 1.00 0.00 H new ATOM 112 N ALA A 9 2.954 -0.422 -8.394 1.00 0.00 N ATOM 113 CA ALA A 9 3.161 0.420 -9.566 1.00 0.00 C ATOM 114 C ALA A 9 2.240 1.636 -9.544 1.00 0.00 C ATOM 115 O ALA A 9 2.663 2.751 -9.850 1.00 0.00 O ATOM 116 CB ALA A 9 2.942 -0.386 -10.838 1.00 0.00 C ATOM 0 H ALA A 9 2.638 -1.369 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 9 4.190 0.779 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.100 0.254 -11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.646 -1.217 -10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.923 -0.773 -10.853 1.00 0.00 H new ATOM 122 N LYS A 10 0.978 1.416 -9.183 1.00 0.00 N ATOM 123 CA LYS A 10 0.004 2.501 -9.127 1.00 0.00 C ATOM 124 C LYS A 10 0.373 3.509 -8.044 1.00 0.00 C ATOM 125 O LYS A 10 0.377 4.719 -8.281 1.00 0.00 O ATOM 126 CB LYS A 10 -1.397 1.944 -8.866 1.00 0.00 C ATOM 127 CG LYS A 10 -2.499 2.717 -9.571 1.00 0.00 C ATOM 128 CD LYS A 10 -3.797 2.689 -8.778 1.00 0.00 C ATOM 129 CE LYS A 10 -4.866 1.870 -9.485 1.00 0.00 C ATOM 130 NZ LYS A 10 -4.965 0.491 -8.933 1.00 0.00 N ATOM 0 H LYS A 10 0.608 0.501 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 10 0.011 3.012 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.431 0.903 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.588 1.952 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.183 3.750 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.667 2.292 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.611 2.270 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.156 3.707 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.830 2.370 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.639 1.819 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.954 0.173 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.374 -0.152 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.636 0.488 -7.946 1.00 0.00 H new ATOM 144 N MET A 11 0.694 3.006 -6.856 1.00 0.00 N ATOM 145 CA MET A 11 1.071 3.873 -5.748 1.00 0.00 C ATOM 146 C MET A 11 2.345 4.634 -6.089 1.00 0.00 C ATOM 147 O MET A 11 2.455 5.830 -5.823 1.00 0.00 O ATOM 148 CB MET A 11 1.265 3.055 -4.470 1.00 0.00 C ATOM 149 CG MET A 11 0.018 2.299 -4.036 1.00 0.00 C ATOM 150 SD MET A 11 0.397 0.885 -2.984 1.00 0.00 S ATOM 151 CE MET A 11 -0.921 0.995 -1.777 1.00 0.00 C ATOM 0 H MET A 11 0.700 2.010 -6.638 1.00 0.00 H new ATOM 0 HA MET A 11 0.268 4.591 -5.578 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.076 2.343 -4.624 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.574 3.722 -3.665 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.646 2.978 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.521 1.956 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.495 1.154 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.576 1.829 -2.029 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.496 0.069 -1.780 1.00 0.00 H new ATOM 161 N GLN A 12 3.298 3.937 -6.705 1.00 0.00 N ATOM 162 CA GLN A 12 4.554 4.554 -7.107 1.00 0.00 C ATOM 163 C GLN A 12 4.282 5.677 -8.096 1.00 0.00 C ATOM 164 O GLN A 12 4.885 6.748 -8.021 1.00 0.00 O ATOM 165 CB GLN A 12 5.487 3.516 -7.733 1.00 0.00 C ATOM 166 CG GLN A 12 6.962 3.810 -7.508 1.00 0.00 C ATOM 167 CD GLN A 12 7.623 4.437 -8.720 1.00 0.00 C ATOM 168 OE1 GLN A 12 7.396 4.015 -9.854 1.00 0.00 O ATOM 169 NE2 GLN A 12 8.446 5.453 -8.485 1.00 0.00 N ATOM 0 H GLN A 12 3.222 2.946 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 12 5.041 4.965 -6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.254 2.534 -7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.294 3.466 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.069 4.478 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.479 2.884 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.605 5.770 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.919 5.916 -9.261 1.00 0.00 H new ATOM 178 N ALA A 13 3.349 5.430 -9.013 1.00 0.00 N ATOM 179 CA ALA A 13 2.975 6.428 -10.005 1.00 0.00 C ATOM 180 C ALA A 13 2.444 7.674 -9.311 1.00 0.00 C ATOM 181 O ALA A 13 2.843 8.795 -9.627 1.00 0.00 O ATOM 182 CB ALA A 13 1.935 5.863 -10.961 1.00 0.00 C ATOM 0 H ALA A 13 2.841 4.549 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 13 3.858 6.699 -10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.666 6.622 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.345 4.992 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.047 5.570 -10.401 1.00 0.00 H new ATOM 188 N SER A 14 1.553 7.465 -8.344 1.00 0.00 N ATOM 189 CA SER A 14 0.982 8.570 -7.586 1.00 0.00 C ATOM 190 C SER A 14 2.084 9.322 -6.847 1.00 0.00 C ATOM 191 O SER A 14 2.040 10.545 -6.717 1.00 0.00 O ATOM 192 CB SER A 14 -0.060 8.054 -6.591 1.00 0.00 C ATOM 193 OG SER A 14 -1.196 8.901 -6.556 1.00 0.00 O ATOM 0 H SER A 14 1.213 6.543 -8.069 1.00 0.00 H new ATOM 0 HA SER A 14 0.491 9.252 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.364 7.045 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.382 7.992 -5.597 1.00 0.00 H new ATOM 0 HG SER A 14 -1.847 8.548 -5.914 1.00 0.00 H new ATOM 199 N ILE A 15 3.081 8.575 -6.378 1.00 0.00 N ATOM 200 CA ILE A 15 4.209 9.160 -5.664 1.00 0.00 C ATOM 201 C ILE A 15 5.039 10.028 -6.603 1.00 0.00 C ATOM 202 O ILE A 15 5.458 11.129 -6.245 1.00 0.00 O ATOM 203 CB ILE A 15 5.105 8.063 -5.044 1.00 0.00 C ATOM 204 CG1 ILE A 15 4.338 7.334 -3.933 1.00 0.00 C ATOM 205 CG2 ILE A 15 6.407 8.657 -4.518 1.00 0.00 C ATOM 206 CD1 ILE A 15 5.205 6.834 -2.793 1.00 0.00 C ATOM 0 H ILE A 15 3.129 7.561 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 15 3.810 9.778 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 15 5.366 7.341 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.582 8.007 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.810 6.486 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.020 7.866 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.948 9.130 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.185 9.401 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.580 6.332 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.945 6.133 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.713 7.677 -2.326 1.00 0.00 H new ATOM 218 N GLU A 16 5.268 9.522 -7.808 1.00 0.00 N ATOM 219 CA GLU A 16 6.043 10.246 -8.808 1.00 0.00 C ATOM 220 C GLU A 16 5.290 11.484 -9.281 1.00 0.00 C ATOM 221 O GLU A 16 5.896 12.494 -9.637 1.00 0.00 O ATOM 222 CB GLU A 16 6.356 9.338 -9.998 1.00 0.00 C ATOM 223 CG GLU A 16 7.507 8.377 -9.745 1.00 0.00 C ATOM 224 CD GLU A 16 7.740 7.428 -10.904 1.00 0.00 C ATOM 225 OE1 GLU A 16 8.901 7.018 -11.112 1.00 0.00 O ATOM 226 OE2 GLU A 16 6.761 7.093 -11.604 1.00 0.00 O ATOM 0 H GLU A 16 4.928 8.612 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 16 6.979 10.563 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.464 8.765 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.594 9.956 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.417 8.947 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.302 7.800 -8.843 1.00 0.00 H new ATOM 233 N LYS A 17 3.963 11.398 -9.281 1.00 0.00 N ATOM 234 CA LYS A 17 3.125 12.512 -9.710 1.00 0.00 C ATOM 235 C LYS A 17 2.721 13.389 -8.525 1.00 0.00 C ATOM 236 O LYS A 17 1.819 14.220 -8.638 1.00 0.00 O ATOM 237 CB LYS A 17 1.875 11.990 -10.424 1.00 0.00 C ATOM 238 CG LYS A 17 1.953 12.095 -11.939 1.00 0.00 C ATOM 239 CD LYS A 17 1.530 10.799 -12.613 1.00 0.00 C ATOM 240 CE LYS A 17 2.260 10.593 -13.931 1.00 0.00 C ATOM 241 NZ LYS A 17 3.719 10.370 -13.731 1.00 0.00 N ATOM 0 H LYS A 17 3.446 10.569 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 17 3.706 13.121 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.717 10.947 -10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.007 12.548 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.314 12.909 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.972 12.344 -12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.732 9.959 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.455 10.814 -12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.831 9.738 -14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.110 11.464 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.105 9.849 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.202 11.287 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.870 9.818 -12.862 1.00 0.00 H new ATOM 255 N GLY A 18 3.392 13.205 -7.390 1.00 0.00 N ATOM 256 CA GLY A 18 3.082 13.993 -6.211 1.00 0.00 C ATOM 257 C GLY A 18 2.405 13.179 -5.125 1.00 0.00 C ATOM 258 O GLY A 18 1.222 13.372 -4.842 1.00 0.00 O ATOM 0 H GLY A 18 4.143 12.526 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.001 14.425 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.435 14.823 -6.494 1.00 0.00 H new ATOM 262 N GLY A 19 3.157 12.270 -4.513 1.00 0.00 N ATOM 263 CA GLY A 19 2.606 11.441 -3.456 1.00 0.00 C ATOM 264 C GLY A 19 3.593 11.214 -2.328 1.00 0.00 C ATOM 265 O GLY A 19 4.581 11.938 -2.205 1.00 0.00 O ATOM 0 H GLY A 19 4.138 12.092 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.707 11.912 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.305 10.479 -3.871 1.00 0.00 H new ATOM 269 N SER A 20 3.326 10.206 -1.502 1.00 0.00 N ATOM 270 CA SER A 20 4.201 9.888 -0.377 1.00 0.00 C ATOM 271 C SER A 20 3.695 8.667 0.387 1.00 0.00 C ATOM 272 O SER A 20 4.485 7.874 0.899 1.00 0.00 O ATOM 273 CB SER A 20 4.305 11.085 0.571 1.00 0.00 C ATOM 274 OG SER A 20 3.190 11.143 1.444 1.00 0.00 O ATOM 0 H SER A 20 2.513 9.597 -1.590 1.00 0.00 H new ATOM 0 HA SER A 20 5.189 9.659 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.223 11.013 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.366 12.007 -0.008 1.00 0.00 H new ATOM 0 HG SER A 20 3.281 11.915 2.040 1.00 0.00 H new ATOM 280 N LEU A 21 2.374 8.526 0.466 1.00 0.00 N ATOM 281 CA LEU A 21 1.759 7.405 1.175 1.00 0.00 C ATOM 282 C LEU A 21 1.875 7.594 2.686 1.00 0.00 C ATOM 283 O LEU A 21 2.859 8.148 3.176 1.00 0.00 O ATOM 284 CB LEU A 21 2.406 6.079 0.761 1.00 0.00 C ATOM 285 CG LEU A 21 2.660 5.922 -0.740 1.00 0.00 C ATOM 286 CD1 LEU A 21 3.176 4.525 -1.050 1.00 0.00 C ATOM 287 CD2 LEU A 21 1.392 6.211 -1.529 1.00 0.00 C ATOM 0 H LEU A 21 1.707 9.175 0.047 1.00 0.00 H new ATOM 0 HA LEU A 21 0.703 7.376 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.355 5.976 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.767 5.261 1.093 1.00 0.00 H new ATOM 0 HG LEU A 21 3.421 6.643 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.351 4.431 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.109 4.355 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.438 3.787 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.592 6.094 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.610 5.514 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.065 7.232 -1.331 1.00 0.00 H new ATOM 299 N PRO A 22 0.866 7.137 3.449 1.00 0.00 N ATOM 300 CA PRO A 22 0.861 7.263 4.910 1.00 0.00 C ATOM 301 C PRO A 22 2.091 6.631 5.551 1.00 0.00 C ATOM 302 O PRO A 22 2.877 5.961 4.882 1.00 0.00 O ATOM 303 CB PRO A 22 -0.406 6.516 5.336 1.00 0.00 C ATOM 304 CG PRO A 22 -1.277 6.517 4.127 1.00 0.00 C ATOM 305 CD PRO A 22 -0.348 6.467 2.949 1.00 0.00 C ATOM 0 HA PRO A 22 0.879 8.307 5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.176 5.500 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.894 7.012 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.950 5.660 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.900 7.411 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.144 5.442 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.766 6.983 2.085 1.00 0.00 H new ATOM 313 N LYS A 23 2.254 6.852 6.852 1.00 0.00 N ATOM 314 CA LYS A 23 3.394 6.307 7.584 1.00 0.00 C ATOM 315 C LYS A 23 2.944 5.407 8.737 1.00 0.00 C ATOM 316 O LYS A 23 3.753 4.680 9.313 1.00 0.00 O ATOM 317 CB LYS A 23 4.285 7.437 8.116 1.00 0.00 C ATOM 318 CG LYS A 23 3.544 8.742 8.381 1.00 0.00 C ATOM 319 CD LYS A 23 2.704 8.662 9.647 1.00 0.00 C ATOM 320 CE LYS A 23 1.217 8.778 9.344 1.00 0.00 C ATOM 321 NZ LYS A 23 0.517 9.653 10.325 1.00 0.00 N ATOM 0 H LYS A 23 1.612 7.404 7.421 1.00 0.00 H new ATOM 0 HA LYS A 23 3.970 5.699 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.759 7.107 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.083 7.624 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.262 9.557 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.902 8.975 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.899 7.717 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.999 9.458 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.081 9.178 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.766 7.786 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.507 9.625 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.709 9.316 11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.860 10.630 10.225 1.00 0.00 H new ATOM 335 N VAL A 24 1.654 5.446 9.065 1.00 0.00 N ATOM 336 CA VAL A 24 1.119 4.617 10.140 1.00 0.00 C ATOM 337 C VAL A 24 0.472 3.361 9.566 1.00 0.00 C ATOM 338 O VAL A 24 -0.342 3.439 8.649 1.00 0.00 O ATOM 339 CB VAL A 24 0.083 5.381 10.994 1.00 0.00 C ATOM 340 CG1 VAL A 24 -0.469 4.491 12.102 1.00 0.00 C ATOM 341 CG2 VAL A 24 0.697 6.646 11.578 1.00 0.00 C ATOM 0 H VAL A 24 0.964 6.040 8.604 1.00 0.00 H new ATOM 0 HA VAL A 24 1.955 4.342 10.783 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.745 5.669 10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.196 5.051 12.690 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.952 3.619 11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.347 4.166 12.748 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.049 7.170 12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.546 6.381 12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.034 7.294 10.769 1.00 0.00 H new ATOM 351 N GLU A 25 0.849 2.207 10.105 1.00 0.00 N ATOM 352 CA GLU A 25 0.319 0.925 9.646 1.00 0.00 C ATOM 353 C GLU A 25 -1.192 0.979 9.416 1.00 0.00 C ATOM 354 O GLU A 25 -1.690 0.485 8.405 1.00 0.00 O ATOM 355 CB GLU A 25 0.648 -0.172 10.660 1.00 0.00 C ATOM 356 CG GLU A 25 0.170 -1.554 10.244 1.00 0.00 C ATOM 357 CD GLU A 25 0.940 -2.666 10.928 1.00 0.00 C ATOM 358 OE1 GLU A 25 1.193 -3.701 10.275 1.00 0.00 O ATOM 359 OE2 GLU A 25 1.292 -2.502 12.115 1.00 0.00 O ATOM 0 H GLU A 25 1.524 2.132 10.866 1.00 0.00 H new ATOM 0 HA GLU A 25 0.793 0.699 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.727 -0.201 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.197 0.085 11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.890 -1.654 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.269 -1.659 9.164 1.00 0.00 H new ATOM 366 N ALA A 26 -1.919 1.567 10.360 1.00 0.00 N ATOM 367 CA ALA A 26 -3.372 1.661 10.253 1.00 0.00 C ATOM 368 C ALA A 26 -3.800 2.587 9.118 1.00 0.00 C ATOM 369 O ALA A 26 -4.773 2.310 8.413 1.00 0.00 O ATOM 370 CB ALA A 26 -3.959 2.142 11.570 1.00 0.00 C ATOM 0 H ALA A 26 -1.529 1.984 11.205 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.753 0.665 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.043 2.210 11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.702 1.438 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.553 3.124 11.812 1.00 0.00 H new ATOM 376 N LYS A 27 -3.069 3.681 8.935 1.00 0.00 N ATOM 377 CA LYS A 27 -3.388 4.629 7.876 1.00 0.00 C ATOM 378 C LYS A 27 -3.032 4.037 6.520 1.00 0.00 C ATOM 379 O LYS A 27 -3.727 4.258 5.526 1.00 0.00 O ATOM 380 CB LYS A 27 -2.637 5.942 8.092 1.00 0.00 C ATOM 381 CG LYS A 27 -3.439 7.174 7.703 1.00 0.00 C ATOM 382 CD LYS A 27 -3.984 7.895 8.926 1.00 0.00 C ATOM 383 CE LYS A 27 -5.434 7.523 9.193 1.00 0.00 C ATOM 384 NZ LYS A 27 -6.096 8.492 10.109 1.00 0.00 N ATOM 0 H LYS A 27 -2.258 3.931 9.501 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.458 4.834 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.353 6.020 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.714 5.922 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.808 7.854 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.265 6.882 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.377 7.646 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.905 8.972 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.979 7.485 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.479 6.524 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.083 8.203 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.592 8.510 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.077 9.441 9.684 1.00 0.00 H new ATOM 398 N PHE A 28 -1.957 3.260 6.497 1.00 0.00 N ATOM 399 CA PHE A 28 -1.517 2.610 5.277 1.00 0.00 C ATOM 400 C PHE A 28 -2.507 1.523 4.890 1.00 0.00 C ATOM 401 O PHE A 28 -2.935 1.435 3.741 1.00 0.00 O ATOM 402 CB PHE A 28 -0.120 2.014 5.457 1.00 0.00 C ATOM 403 CG PHE A 28 0.357 1.244 4.260 1.00 0.00 C ATOM 404 CD1 PHE A 28 0.778 1.905 3.118 1.00 0.00 C ATOM 405 CD2 PHE A 28 0.375 -0.140 4.275 1.00 0.00 C ATOM 406 CE1 PHE A 28 1.210 1.199 2.012 1.00 0.00 C ATOM 407 CE2 PHE A 28 0.807 -0.852 3.173 1.00 0.00 C ATOM 408 CZ PHE A 28 1.224 -0.181 2.039 1.00 0.00 C ATOM 0 H PHE A 28 -1.375 3.067 7.312 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.471 3.353 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.586 2.818 5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.123 1.356 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.768 2.985 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.048 -0.669 5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.536 1.726 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.819 -1.932 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.560 -0.735 1.175 1.00 0.00 H new ATOM 418 N ILE A 29 -2.877 0.704 5.868 1.00 0.00 N ATOM 419 CA ILE A 29 -3.827 -0.372 5.641 1.00 0.00 C ATOM 420 C ILE A 29 -5.155 0.188 5.149 1.00 0.00 C ATOM 421 O ILE A 29 -5.769 -0.361 4.237 1.00 0.00 O ATOM 422 CB ILE A 29 -4.059 -1.200 6.924 1.00 0.00 C ATOM 423 CG1 ILE A 29 -2.760 -1.882 7.355 1.00 0.00 C ATOM 424 CG2 ILE A 29 -5.154 -2.237 6.707 1.00 0.00 C ATOM 425 CD1 ILE A 29 -2.689 -2.164 8.840 1.00 0.00 C ATOM 0 H ILE A 29 -2.532 0.767 6.826 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.404 -1.028 4.880 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.381 -0.524 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.653 -2.820 6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.917 -1.251 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.301 -2.809 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.084 -1.734 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.862 -2.911 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.741 -2.648 9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.764 -1.227 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.511 -2.820 9.126 1.00 0.00 H new ATOM 437 N ASN A 30 -5.593 1.288 5.754 1.00 0.00 N ATOM 438 CA ASN A 30 -6.849 1.914 5.362 1.00 0.00 C ATOM 439 C ASN A 30 -6.762 2.475 3.944 1.00 0.00 C ATOM 440 O ASN A 30 -7.706 2.358 3.163 1.00 0.00 O ATOM 441 CB ASN A 30 -7.213 3.030 6.343 1.00 0.00 C ATOM 442 CG ASN A 30 -8.092 2.540 7.477 1.00 0.00 C ATOM 443 OD1 ASN A 30 -9.317 2.515 7.362 1.00 0.00 O ATOM 444 ND2 ASN A 30 -7.469 2.148 8.583 1.00 0.00 N ATOM 0 H ASN A 30 -5.100 1.761 6.512 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.627 1.151 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.300 3.460 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.727 3.828 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.009 1.810 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.451 2.185 8.635 1.00 0.00 H new ATOM 451 N TYR A 31 -5.625 3.086 3.615 1.00 0.00 N ATOM 452 CA TYR A 31 -5.426 3.664 2.288 1.00 0.00 C ATOM 453 C TYR A 31 -5.324 2.577 1.215 1.00 0.00 C ATOM 454 O TYR A 31 -6.024 2.627 0.204 1.00 0.00 O ATOM 455 CB TYR A 31 -4.191 4.584 2.301 1.00 0.00 C ATOM 456 CG TYR A 31 -3.113 4.278 1.275 1.00 0.00 C ATOM 457 CD1 TYR A 31 -3.360 4.370 -0.091 1.00 0.00 C ATOM 458 CD2 TYR A 31 -1.833 3.927 1.683 1.00 0.00 C ATOM 459 CE1 TYR A 31 -2.362 4.120 -1.015 1.00 0.00 C ATOM 460 CE2 TYR A 31 -0.833 3.670 0.767 1.00 0.00 C ATOM 461 CZ TYR A 31 -1.101 3.770 -0.580 1.00 0.00 C ATOM 462 OH TYR A 31 -0.101 3.529 -1.494 1.00 0.00 O ATOM 0 H TYR A 31 -4.831 3.193 4.246 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.296 4.268 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.527 5.610 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.742 4.540 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.347 4.641 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.616 3.854 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.569 4.198 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.154 3.392 1.105 1.00 0.00 H new ATOM 0 HH TYR A 31 0.600 2.987 -1.076 1.00 0.00 H new ATOM 472 N VAL A 32 -4.452 1.598 1.438 1.00 0.00 N ATOM 473 CA VAL A 32 -4.270 0.505 0.484 1.00 0.00 C ATOM 474 C VAL A 32 -5.512 -0.373 0.393 1.00 0.00 C ATOM 475 O VAL A 32 -5.951 -0.739 -0.697 1.00 0.00 O ATOM 476 CB VAL A 32 -3.073 -0.382 0.867 1.00 0.00 C ATOM 477 CG1 VAL A 32 -2.791 -1.403 -0.226 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.847 0.469 1.143 1.00 0.00 C ATOM 0 H VAL A 32 -3.862 1.538 2.268 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.084 0.971 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.323 -0.924 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.941 -2.021 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.667 -2.035 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.562 -0.885 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.010 -0.175 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.592 1.041 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.057 1.154 1.965 1.00 0.00 H new ATOM 488 N LYS A 33 -6.063 -0.723 1.548 1.00 0.00 N ATOM 489 CA LYS A 33 -7.245 -1.577 1.605 1.00 0.00 C ATOM 490 C LYS A 33 -8.453 -0.906 0.960 1.00 0.00 C ATOM 491 O LYS A 33 -9.253 -1.560 0.297 1.00 0.00 O ATOM 492 CB LYS A 33 -7.571 -1.946 3.053 1.00 0.00 C ATOM 493 CG LYS A 33 -8.669 -2.988 3.183 1.00 0.00 C ATOM 494 CD LYS A 33 -9.557 -2.718 4.387 1.00 0.00 C ATOM 495 CE LYS A 33 -8.821 -2.980 5.691 1.00 0.00 C ATOM 496 NZ LYS A 33 -9.112 -4.337 6.229 1.00 0.00 N ATOM 0 H LYS A 33 -5.711 -0.429 2.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.019 -2.484 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.668 -2.320 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.870 -1.046 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.275 -2.994 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.223 -3.978 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.900 -1.684 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.444 -3.349 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.748 -2.876 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.107 -2.229 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.591 -4.477 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.133 -4.428 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.816 -5.055 5.538 1.00 0.00 H new ATOM 510 N ASN A 34 -8.590 0.396 1.167 1.00 0.00 N ATOM 511 CA ASN A 34 -9.714 1.138 0.609 1.00 0.00 C ATOM 512 C ASN A 34 -9.508 1.439 -0.874 1.00 0.00 C ATOM 513 O ASN A 34 -10.459 1.427 -1.656 1.00 0.00 O ATOM 514 CB ASN A 34 -9.922 2.443 1.378 1.00 0.00 C ATOM 515 CG ASN A 34 -11.286 3.053 1.123 1.00 0.00 C ATOM 516 OD1 ASN A 34 -11.685 3.253 -0.025 1.00 0.00 O ATOM 517 ND2 ASN A 34 -12.010 3.352 2.194 1.00 0.00 N ATOM 0 H ASN A 34 -7.940 0.960 1.715 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.602 0.513 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.805 2.255 2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.149 3.157 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.936 3.765 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.640 3.169 3.127 1.00 0.00 H new ATOM 524 N CYS A 35 -8.268 1.730 -1.251 1.00 0.00 N ATOM 525 CA CYS A 35 -7.949 2.060 -2.637 1.00 0.00 C ATOM 526 C CYS A 35 -7.811 0.818 -3.519 1.00 0.00 C ATOM 527 O CYS A 35 -8.276 0.809 -4.658 1.00 0.00 O ATOM 528 CB CYS A 35 -6.658 2.878 -2.697 1.00 0.00 C ATOM 529 SG CYS A 35 -6.354 3.660 -4.299 1.00 0.00 S ATOM 0 H CYS A 35 -7.468 1.744 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.782 2.646 -3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.694 3.650 -1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.817 2.228 -2.457 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.200 3.275 -4.758 1.00 0.00 H new ATOM 535 N PHE A 36 -7.152 -0.218 -3.006 1.00 0.00 N ATOM 536 CA PHE A 36 -6.943 -1.440 -3.783 1.00 0.00 C ATOM 537 C PHE A 36 -7.719 -2.631 -3.221 1.00 0.00 C ATOM 538 O PHE A 36 -7.472 -3.773 -3.611 1.00 0.00 O ATOM 539 CB PHE A 36 -5.452 -1.773 -3.840 1.00 0.00 C ATOM 540 CG PHE A 36 -4.592 -0.590 -4.183 1.00 0.00 C ATOM 541 CD1 PHE A 36 -4.326 0.384 -3.235 1.00 0.00 C ATOM 542 CD2 PHE A 36 -4.053 -0.452 -5.451 1.00 0.00 C ATOM 543 CE1 PHE A 36 -3.538 1.476 -3.545 1.00 0.00 C ATOM 544 CE2 PHE A 36 -3.263 0.637 -5.768 1.00 0.00 C ATOM 545 CZ PHE A 36 -3.006 1.602 -4.813 1.00 0.00 C ATOM 0 H PHE A 36 -6.757 -0.238 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.322 -1.251 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.139 -2.174 -2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.290 -2.558 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.739 0.289 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.252 -1.204 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.339 2.229 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.847 0.733 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.389 2.454 -5.058 1.00 0.00 H new ATOM 555 N ARG A 37 -8.656 -2.373 -2.315 1.00 0.00 N ATOM 556 CA ARG A 37 -9.455 -3.445 -1.725 1.00 0.00 C ATOM 557 C ARG A 37 -8.566 -4.543 -1.140 1.00 0.00 C ATOM 558 O ARG A 37 -8.990 -5.691 -1.010 1.00 0.00 O ATOM 559 CB ARG A 37 -10.391 -4.041 -2.777 1.00 0.00 C ATOM 560 CG ARG A 37 -11.754 -3.369 -2.830 1.00 0.00 C ATOM 561 CD ARG A 37 -12.796 -4.159 -2.054 1.00 0.00 C ATOM 562 NE ARG A 37 -13.943 -3.335 -1.682 1.00 0.00 N ATOM 563 CZ ARG A 37 -13.948 -2.495 -0.649 1.00 0.00 C ATOM 564 NH1 ARG A 37 -12.871 -2.365 0.116 1.00 0.00 N ATOM 565 NH2 ARG A 37 -15.034 -1.782 -0.381 1.00 0.00 N ATOM 0 H ARG A 37 -8.881 -1.438 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.045 -3.017 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.919 -3.964 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.526 -5.103 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.680 -2.362 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.071 -3.268 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.135 -5.001 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.341 -4.574 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.790 -3.407 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.033 -2.910 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.881 -1.720 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.864 -1.878 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.039 -1.138 0.410 1.00 0.00 H new ATOM 579 N MET A 38 -7.333 -4.185 -0.787 1.00 0.00 N ATOM 580 CA MET A 38 -6.392 -5.144 -0.216 1.00 0.00 C ATOM 581 C MET A 38 -6.755 -5.460 1.232 1.00 0.00 C ATOM 582 O MET A 38 -6.248 -4.830 2.161 1.00 0.00 O ATOM 583 CB MET A 38 -4.961 -4.601 -0.297 1.00 0.00 C ATOM 584 CG MET A 38 -4.332 -4.752 -1.672 1.00 0.00 C ATOM 585 SD MET A 38 -4.204 -6.474 -2.192 1.00 0.00 S ATOM 586 CE MET A 38 -5.582 -6.586 -3.331 1.00 0.00 C ATOM 0 H MET A 38 -6.964 -3.239 -0.886 1.00 0.00 H new ATOM 0 HA MET A 38 -6.451 -6.066 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.965 -3.546 -0.022 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.342 -5.119 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.925 -4.199 -2.401 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.338 -4.304 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.986 -7.598 -3.315 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.358 -5.881 -3.033 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.242 -6.347 -4.339 1.00 0.00 H new ATOM 596 N THR A 39 -7.640 -6.436 1.417 1.00 0.00 N ATOM 597 CA THR A 39 -8.076 -6.833 2.752 1.00 0.00 C ATOM 598 C THR A 39 -7.414 -8.137 3.197 1.00 0.00 C ATOM 599 O THR A 39 -7.772 -8.698 4.233 1.00 0.00 O ATOM 600 CB THR A 39 -9.597 -6.987 2.786 1.00 0.00 C ATOM 601 OG1 THR A 39 -10.012 -8.048 1.944 1.00 0.00 O ATOM 602 CG2 THR A 39 -10.336 -5.740 2.351 1.00 0.00 C ATOM 0 H THR A 39 -8.069 -6.966 0.659 1.00 0.00 H new ATOM 0 HA THR A 39 -7.773 -6.048 3.445 1.00 0.00 H new ATOM 0 HB THR A 39 -9.843 -7.190 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.988 -8.132 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.410 -5.918 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.076 -4.913 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.055 -5.489 1.328 1.00 0.00 H new ATOM 610 N ASP A 40 -6.449 -8.616 2.417 1.00 0.00 N ATOM 611 CA ASP A 40 -5.747 -9.851 2.749 1.00 0.00 C ATOM 612 C ASP A 40 -4.581 -9.569 3.691 1.00 0.00 C ATOM 613 O ASP A 40 -3.763 -8.688 3.430 1.00 0.00 O ATOM 614 CB ASP A 40 -5.241 -10.533 1.475 1.00 0.00 C ATOM 615 CG ASP A 40 -5.624 -11.999 1.412 1.00 0.00 C ATOM 616 OD1 ASP A 40 -5.620 -12.566 0.299 1.00 0.00 O ATOM 617 OD2 ASP A 40 -5.930 -12.579 2.475 1.00 0.00 O ATOM 0 H ASP A 40 -6.137 -8.170 1.555 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.446 -10.519 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.646 -10.017 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.156 -10.441 1.424 1.00 0.00 H new ATOM 622 N GLN A 41 -4.513 -10.315 4.790 1.00 0.00 N ATOM 623 CA GLN A 41 -3.446 -10.131 5.768 1.00 0.00 C ATOM 624 C GLN A 41 -2.076 -10.289 5.116 1.00 0.00 C ATOM 625 O GLN A 41 -1.117 -9.617 5.496 1.00 0.00 O ATOM 626 CB GLN A 41 -3.597 -11.133 6.914 1.00 0.00 C ATOM 627 CG GLN A 41 -3.194 -10.573 8.269 1.00 0.00 C ATOM 628 CD GLN A 41 -4.295 -10.700 9.305 1.00 0.00 C ATOM 629 OE1 GLN A 41 -4.132 -11.376 10.321 1.00 0.00 O ATOM 630 NE2 GLN A 41 -5.424 -10.049 9.051 1.00 0.00 N ATOM 0 H GLN A 41 -5.181 -11.049 5.025 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.524 -9.119 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.634 -11.465 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.990 -12.013 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.305 -11.095 8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.924 -9.523 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.515 -9.500 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.200 -10.097 9.711 1.00 0.00 H new ATOM 639 N GLU A 42 -1.993 -11.171 4.127 1.00 0.00 N ATOM 640 CA GLU A 42 -0.741 -11.403 3.417 1.00 0.00 C ATOM 641 C GLU A 42 -0.370 -10.185 2.578 1.00 0.00 C ATOM 642 O GLU A 42 0.773 -9.726 2.599 1.00 0.00 O ATOM 643 CB GLU A 42 -0.855 -12.643 2.526 1.00 0.00 C ATOM 644 CG GLU A 42 0.292 -13.626 2.702 1.00 0.00 C ATOM 645 CD GLU A 42 -0.175 -14.993 3.164 1.00 0.00 C ATOM 646 OE1 GLU A 42 0.492 -15.583 4.040 1.00 0.00 O ATOM 647 OE2 GLU A 42 -1.207 -15.472 2.650 1.00 0.00 O ATOM 0 H GLU A 42 -2.776 -11.736 3.799 1.00 0.00 H new ATOM 0 HA GLU A 42 0.046 -11.572 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.795 -13.151 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.896 -12.328 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.825 -13.729 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.001 -13.225 3.426 1.00 0.00 H new ATOM 654 N ALA A 43 -1.350 -9.661 1.849 1.00 0.00 N ATOM 655 CA ALA A 43 -1.135 -8.490 1.010 1.00 0.00 C ATOM 656 C ALA A 43 -0.854 -7.266 1.869 1.00 0.00 C ATOM 657 O ALA A 43 -0.037 -6.418 1.513 1.00 0.00 O ATOM 658 CB ALA A 43 -2.343 -8.249 0.116 1.00 0.00 C ATOM 0 H ALA A 43 -2.301 -10.030 1.823 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.267 -8.672 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.167 -7.371 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.503 -9.118 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.226 -8.085 0.734 1.00 0.00 H new ATOM 664 N ILE A 44 -1.531 -7.191 3.009 1.00 0.00 N ATOM 665 CA ILE A 44 -1.352 -6.082 3.935 1.00 0.00 C ATOM 666 C ILE A 44 0.058 -6.098 4.516 1.00 0.00 C ATOM 667 O ILE A 44 0.717 -5.063 4.605 1.00 0.00 O ATOM 668 CB ILE A 44 -2.383 -6.142 5.083 1.00 0.00 C ATOM 669 CG1 ILE A 44 -3.799 -5.963 4.534 1.00 0.00 C ATOM 670 CG2 ILE A 44 -2.083 -5.084 6.136 1.00 0.00 C ATOM 671 CD1 ILE A 44 -4.874 -6.525 5.439 1.00 0.00 C ATOM 0 H ILE A 44 -2.211 -7.888 3.314 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.505 -5.157 3.378 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.312 -7.121 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.987 -4.901 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.866 -6.447 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.822 -5.146 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.088 -5.253 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.123 -4.095 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.852 -6.363 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.711 -7.594 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.834 -6.024 6.406 1.00 0.00 H new ATOM 683 N GLN A 45 0.513 -7.284 4.904 1.00 0.00 N ATOM 684 CA GLN A 45 1.844 -7.443 5.471 1.00 0.00 C ATOM 685 C GLN A 45 2.911 -7.103 4.437 1.00 0.00 C ATOM 686 O GLN A 45 3.889 -6.419 4.739 1.00 0.00 O ATOM 687 CB GLN A 45 2.037 -8.876 5.977 1.00 0.00 C ATOM 688 CG GLN A 45 1.918 -9.008 7.487 1.00 0.00 C ATOM 689 CD GLN A 45 0.493 -9.254 7.940 1.00 0.00 C ATOM 690 OE1 GLN A 45 0.171 -10.320 8.466 1.00 0.00 O ATOM 691 NE2 GLN A 45 -0.371 -8.266 7.739 1.00 0.00 N ATOM 0 H GLN A 45 -0.022 -8.150 4.836 1.00 0.00 H new ATOM 0 HA GLN A 45 1.945 -6.756 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.297 -9.522 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.018 -9.234 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.550 -9.828 7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.293 -8.100 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.061 -7.399 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.344 -8.374 8.024 1.00 0.00 H new ATOM 700 N ASP A 46 2.714 -7.583 3.213 1.00 0.00 N ATOM 701 CA ASP A 46 3.657 -7.326 2.133 1.00 0.00 C ATOM 702 C ASP A 46 3.640 -5.852 1.740 1.00 0.00 C ATOM 703 O ASP A 46 4.692 -5.234 1.561 1.00 0.00 O ATOM 704 CB ASP A 46 3.325 -8.194 0.919 1.00 0.00 C ATOM 705 CG ASP A 46 4.567 -8.685 0.202 1.00 0.00 C ATOM 706 OD1 ASP A 46 5.233 -7.864 -0.462 1.00 0.00 O ATOM 707 OD2 ASP A 46 4.875 -9.891 0.307 1.00 0.00 O ATOM 0 H ASP A 46 1.910 -8.151 2.946 1.00 0.00 H new ATOM 0 HA ASP A 46 4.656 -7.579 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.732 -9.050 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.710 -7.622 0.224 1.00 0.00 H new ATOM 712 N LEU A 47 2.441 -5.291 1.610 1.00 0.00 N ATOM 713 CA LEU A 47 2.296 -3.889 1.239 1.00 0.00 C ATOM 714 C LEU A 47 2.865 -2.986 2.326 1.00 0.00 C ATOM 715 O LEU A 47 3.481 -1.954 2.038 1.00 0.00 O ATOM 716 CB LEU A 47 0.817 -3.556 1.008 1.00 0.00 C ATOM 717 CG LEU A 47 0.343 -3.650 -0.444 1.00 0.00 C ATOM 718 CD1 LEU A 47 0.751 -2.401 -1.211 1.00 0.00 C ATOM 719 CD2 LEU A 47 0.905 -4.897 -1.113 1.00 0.00 C ATOM 0 H LEU A 47 1.560 -5.784 1.756 1.00 0.00 H new ATOM 0 HA LEU A 47 2.851 -3.717 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.211 -4.229 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.629 -2.545 1.369 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.745 -3.723 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.408 -2.479 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.301 -1.525 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.836 -2.303 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.556 -4.945 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.994 -4.857 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.568 -5.782 -0.574 1.00 0.00 H new ATOM 731 N TRP A 48 2.676 -3.386 3.579 1.00 0.00 N ATOM 732 CA TRP A 48 3.187 -2.611 4.695 1.00 0.00 C ATOM 733 C TRP A 48 4.705 -2.701 4.734 1.00 0.00 C ATOM 734 O TRP A 48 5.394 -1.698 4.924 1.00 0.00 O ATOM 735 CB TRP A 48 2.587 -3.093 6.017 1.00 0.00 C ATOM 736 CG TRP A 48 3.071 -2.315 7.205 1.00 0.00 C ATOM 737 CD1 TRP A 48 3.409 -2.816 8.429 1.00 0.00 C ATOM 738 CD2 TRP A 48 3.274 -0.896 7.282 1.00 0.00 C ATOM 739 NE1 TRP A 48 3.811 -1.800 9.261 1.00 0.00 N ATOM 740 CE2 TRP A 48 3.737 -0.612 8.581 1.00 0.00 C ATOM 741 CE3 TRP A 48 3.112 0.163 6.381 1.00 0.00 C ATOM 742 CZ2 TRP A 48 4.038 0.682 8.998 1.00 0.00 C ATOM 743 CZ3 TRP A 48 3.410 1.443 6.796 1.00 0.00 C ATOM 744 CH2 TRP A 48 3.870 1.695 8.094 1.00 0.00 C ATOM 0 H TRP A 48 2.177 -4.236 3.842 1.00 0.00 H new ATOM 0 HA TRP A 48 2.896 -1.570 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.501 -3.022 5.963 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.831 -4.146 6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.366 -3.860 8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.115 -1.911 10.228 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.759 -0.020 5.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.391 0.879 9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.286 2.266 6.108 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.097 2.709 8.388 1.00 0.00 H new ATOM 755 N GLN A 49 5.222 -3.907 4.524 1.00 0.00 N ATOM 756 CA GLN A 49 6.660 -4.121 4.506 1.00 0.00 C ATOM 757 C GLN A 49 7.278 -3.313 3.374 1.00 0.00 C ATOM 758 O GLN A 49 8.398 -2.816 3.487 1.00 0.00 O ATOM 759 CB GLN A 49 6.981 -5.607 4.330 1.00 0.00 C ATOM 760 CG GLN A 49 6.882 -6.408 5.617 1.00 0.00 C ATOM 761 CD GLN A 49 7.482 -7.795 5.488 1.00 0.00 C ATOM 762 OE1 GLN A 49 8.698 -7.950 5.372 1.00 0.00 O ATOM 763 NE2 GLN A 49 6.629 -8.813 5.505 1.00 0.00 N ATOM 0 H GLN A 49 4.666 -4.747 4.365 1.00 0.00 H new ATOM 0 HA GLN A 49 7.079 -3.792 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.299 -6.033 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.989 -5.707 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.391 -5.869 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.835 -6.495 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.629 -8.639 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.974 -9.769 5.420 1.00 0.00 H new ATOM 772 N TRP A 50 6.524 -3.175 2.286 1.00 0.00 N ATOM 773 CA TRP A 50 6.979 -2.413 1.133 1.00 0.00 C ATOM 774 C TRP A 50 7.065 -0.931 1.479 1.00 0.00 C ATOM 775 O TRP A 50 8.041 -0.264 1.141 1.00 0.00 O ATOM 776 CB TRP A 50 6.034 -2.621 -0.052 1.00 0.00 C ATOM 777 CG TRP A 50 6.456 -1.884 -1.285 1.00 0.00 C ATOM 778 CD1 TRP A 50 7.601 -2.074 -2.003 1.00 0.00 C ATOM 779 CD2 TRP A 50 5.737 -0.836 -1.946 1.00 0.00 C ATOM 780 NE1 TRP A 50 7.638 -1.211 -3.071 1.00 0.00 N ATOM 781 CE2 TRP A 50 6.505 -0.440 -3.058 1.00 0.00 C ATOM 782 CE3 TRP A 50 4.518 -0.195 -1.707 1.00 0.00 C ATOM 783 CZ2 TRP A 50 6.093 0.567 -3.926 1.00 0.00 C ATOM 784 CZ3 TRP A 50 4.111 0.805 -2.570 1.00 0.00 C ATOM 785 CH2 TRP A 50 4.896 1.177 -3.668 1.00 0.00 C ATOM 0 H TRP A 50 5.595 -3.583 2.182 1.00 0.00 H new ATOM 0 HA TRP A 50 7.971 -2.768 0.855 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.974 -3.686 -0.277 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.032 -2.298 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.367 -2.798 -1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.387 -1.153 -3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.905 -0.476 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.697 0.857 -4.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.172 1.308 -2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.550 1.961 -4.325 1.00 0.00 H new ATOM 796 N ARG A 51 6.041 -0.422 2.164 1.00 0.00 N ATOM 797 CA ARG A 51 6.020 0.985 2.559 1.00 0.00 C ATOM 798 C ARG A 51 7.128 1.281 3.564 1.00 0.00 C ATOM 799 O ARG A 51 7.699 2.371 3.572 1.00 0.00 O ATOM 800 CB ARG A 51 4.664 1.363 3.162 1.00 0.00 C ATOM 801 CG ARG A 51 4.107 2.670 2.619 1.00 0.00 C ATOM 802 CD ARG A 51 3.550 3.545 3.730 1.00 0.00 C ATOM 803 NE ARG A 51 4.597 4.018 4.632 1.00 0.00 N ATOM 804 CZ ARG A 51 5.497 4.943 4.305 1.00 0.00 C ATOM 805 NH1 ARG A 51 5.483 5.493 3.097 1.00 0.00 N ATOM 806 NH2 ARG A 51 6.413 5.318 5.187 1.00 0.00 N ATOM 0 H ARG A 51 5.223 -0.957 2.454 1.00 0.00 H new ATOM 0 HA ARG A 51 6.185 1.583 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.951 0.563 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.765 1.441 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.893 3.209 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.322 2.458 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.034 4.400 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.809 2.982 4.298 1.00 0.00 H new ATOM 0 HE ARG A 51 4.641 3.616 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.781 5.207 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.175 6.201 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.428 4.898 6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.102 6.027 4.936 1.00 0.00 H new ATOM 820 N LYS A 52 7.426 0.301 4.411 1.00 0.00 N ATOM 821 CA LYS A 52 8.466 0.452 5.423 1.00 0.00 C ATOM 822 C LYS A 52 9.843 0.486 4.774 1.00 0.00 C ATOM 823 O LYS A 52 10.764 1.131 5.274 1.00 0.00 O ATOM 824 CB LYS A 52 8.393 -0.690 6.438 1.00 0.00 C ATOM 825 CG LYS A 52 7.182 -0.615 7.352 1.00 0.00 C ATOM 826 CD LYS A 52 7.444 -1.304 8.681 1.00 0.00 C ATOM 827 CE LYS A 52 6.861 -2.708 8.706 1.00 0.00 C ATOM 828 NZ LYS A 52 6.701 -3.219 10.095 1.00 0.00 N ATOM 0 H LYS A 52 6.962 -0.607 4.417 1.00 0.00 H new ATOM 0 HA LYS A 52 8.302 1.396 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.376 -1.640 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.298 -0.683 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.921 0.429 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.326 -1.080 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.518 -1.352 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.011 -0.715 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.893 -2.708 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.510 -3.380 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.301 -4.179 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.629 -3.244 10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.062 -2.592 10.624 1.00 0.00 H new ATOM 842 N SER A 53 9.970 -0.207 3.649 1.00 0.00 N ATOM 843 CA SER A 53 11.227 -0.252 2.917 1.00 0.00 C ATOM 844 C SER A 53 11.220 0.759 1.773 1.00 0.00 C ATOM 845 O SER A 53 12.261 1.048 1.183 1.00 0.00 O ATOM 846 CB SER A 53 11.474 -1.659 2.369 1.00 0.00 C ATOM 847 OG SER A 53 11.774 -2.568 3.414 1.00 0.00 O ATOM 0 H SER A 53 9.216 -0.746 3.224 1.00 0.00 H new ATOM 0 HA SER A 53 12.032 0.006 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.593 -2.001 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.298 -1.635 1.656 1.00 0.00 H new ATOM 0 HG SER A 53 11.926 -3.460 3.038 1.00 0.00 H new ATOM 853 N LEU A 54 10.040 1.294 1.464 1.00 0.00 N ATOM 854 CA LEU A 54 9.905 2.272 0.390 1.00 0.00 C ATOM 855 C LEU A 54 10.765 3.502 0.663 1.00 0.00 C ATOM 856 O LEU A 54 11.388 3.559 1.744 1.00 0.00 O ATOM 857 CB LEU A 54 8.441 2.687 0.228 1.00 0.00 C ATOM 858 CG LEU A 54 8.080 3.262 -1.143 1.00 0.00 C ATOM 859 CD1 LEU A 54 8.489 2.303 -2.249 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.590 3.561 -1.219 1.00 0.00 C ATOM 861 OXT LEU A 54 10.810 4.397 -0.207 1.00 0.00 O ATOM 0 H LEU A 54 9.168 1.067 1.941 1.00 0.00 H new ATOM 0 HA LEU A 54 10.248 1.807 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.810 1.819 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.203 3.429 0.991 1.00 0.00 H new ATOM 0 HG LEU A 54 8.626 4.195 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.224 2.729 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.566 2.138 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.971 1.353 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.350 3.969 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.026 2.642 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.325 4.286 -0.450 1.00 0.00 H new TER 873 LEU A 54