USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0597) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0.644 (180deg=-0.651) USER MOD Single : A 18 THR OG1 : rot -96:sc= 1.98 USER MOD Single : A 22 SER OG : rot -76:sc= 0.629 USER MOD Single : A 36 MET CE :methyl -166:sc= 0 (180deg=-0.186) USER MOD Single : A 41 GLN : amide:sc= -0.0764 K(o=-0.076,f=-1.4!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -51:sc= 0.142 USER MOD Single : A 51 ASN : amide:sc= 0.00398 K(o=0.004,f=-5.6!) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.09) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 SER OG : rot 180:sc= 0.129 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.511 -38.627 9.913 1.00 18.89 N ATOM 2 CA MET A 1 14.591 -39.511 8.738 1.00 18.64 C ATOM 3 C MET A 1 13.178 -39.800 8.252 1.00 19.27 C ATOM 4 O MET A 1 12.456 -40.515 8.933 1.00 20.53 O ATOM 5 CB MET A 1 15.344 -40.810 9.064 1.00 18.88 C ATOM 6 CG MET A 1 16.808 -40.488 9.387 1.00 18.44 C ATOM 7 SD MET A 1 17.999 -41.817 9.072 1.00 18.38 S ATOM 8 CE MET A 1 17.601 -42.985 10.397 1.00 19.98 C ATOM 0 H1 MET A 1 15.468 -38.324 10.185 1.00 18.89 H new ATOM 0 H2 MET A 1 13.937 -37.792 9.681 1.00 18.89 H new ATOM 0 H3 MET A 1 14.072 -39.140 10.704 1.00 18.89 H new ATOM 0 HA MET A 1 15.154 -39.014 7.948 1.00 18.64 H new ATOM 0 HB2 MET A 1 14.876 -41.311 9.911 1.00 18.88 H new ATOM 0 HB3 MET A 1 15.290 -41.496 8.218 1.00 18.88 H new ATOM 0 HG2 MET A 1 17.105 -39.615 8.805 1.00 18.44 H new ATOM 0 HG3 MET A 1 16.875 -40.208 10.438 1.00 18.44 H new ATOM 0 HE1 MET A 1 18.257 -43.853 10.326 1.00 19.98 H new ATOM 0 HE2 MET A 1 17.742 -42.501 11.363 1.00 19.98 H new ATOM 0 HE3 MET A 1 16.564 -43.305 10.300 1.00 19.98 H new ATOM 20 N LYS A 2 12.770 -39.192 7.133 1.00 18.57 N ATOM 21 CA LYS A 2 11.487 -39.431 6.469 1.00 19.20 C ATOM 22 C LYS A 2 11.462 -38.655 5.158 1.00 18.39 C ATOM 23 O LYS A 2 11.418 -39.246 4.087 1.00 18.38 O ATOM 24 CB LYS A 2 10.265 -39.120 7.364 1.00 20.16 C ATOM 25 CG LYS A 2 10.275 -37.793 8.147 1.00 20.28 C ATOM 26 CD LYS A 2 9.289 -36.755 7.593 1.00 20.73 C ATOM 27 CE LYS A 2 9.345 -35.492 8.461 1.00 21.17 C ATOM 28 NZ LYS A 2 8.640 -34.357 7.826 1.00 21.51 N ATOM 0 H LYS A 2 13.342 -38.499 6.651 1.00 18.57 H new ATOM 0 HA LYS A 2 11.402 -40.497 6.259 1.00 19.20 H new ATOM 0 HB2 LYS A 2 9.375 -39.132 6.734 1.00 20.16 H new ATOM 0 HB3 LYS A 2 10.158 -39.933 8.082 1.00 20.16 H new ATOM 0 HG2 LYS A 2 10.033 -37.993 9.191 1.00 20.28 H new ATOM 0 HG3 LYS A 2 11.281 -37.375 8.127 1.00 20.28 H new ATOM 0 HD2 LYS A 2 9.540 -36.512 6.560 1.00 20.73 H new ATOM 0 HD3 LYS A 2 8.278 -37.163 7.588 1.00 20.73 H new ATOM 0 HE2 LYS A 2 8.898 -35.699 9.433 1.00 21.17 H new ATOM 0 HE3 LYS A 2 10.385 -35.220 8.640 1.00 21.17 H new ATOM 0 HZ1 LYS A 2 8.700 -33.522 8.443 1.00 21.51 H new ATOM 0 HZ2 LYS A 2 9.082 -34.143 6.909 1.00 21.51 H new ATOM 0 HZ3 LYS A 2 7.641 -34.607 7.679 1.00 21.51 H new ATOM 42 N GLN A 3 11.519 -37.329 5.248 1.00 17.87 N ATOM 43 CA GLN A 3 11.525 -36.413 4.121 1.00 17.08 C ATOM 44 C GLN A 3 12.031 -35.085 4.643 1.00 16.41 C ATOM 45 O GLN A 3 11.795 -34.766 5.812 1.00 17.22 O ATOM 46 CB GLN A 3 10.111 -36.277 3.543 1.00 18.05 C ATOM 47 CG GLN A 3 10.124 -35.567 2.185 1.00 17.56 C ATOM 48 CD GLN A 3 8.749 -35.637 1.529 1.00 18.64 C ATOM 49 OE1 GLN A 3 7.734 -35.428 2.179 1.00 19.52 O ATOM 50 NE2 GLN A 3 8.689 -35.944 0.239 1.00 18.86 N ATOM 0 H GLN A 3 11.564 -36.848 6.146 1.00 17.87 H new ATOM 0 HA GLN A 3 12.165 -36.775 3.317 1.00 17.08 H new ATOM 0 HB2 GLN A 3 9.665 -37.266 3.433 1.00 18.05 H new ATOM 0 HB3 GLN A 3 9.484 -35.720 4.240 1.00 18.05 H new ATOM 0 HG2 GLN A 3 10.418 -34.526 2.316 1.00 17.56 H new ATOM 0 HG3 GLN A 3 10.867 -36.028 1.535 1.00 17.56 H new ATOM 0 HE21 GLN A 3 9.547 -36.115 -0.285 1.00 18.86 H new ATOM 0 HE22 GLN A 3 7.785 -36.009 -0.228 1.00 18.86 H new ATOM 59 N ASP A 4 12.704 -34.335 3.777 1.00 15.17 N ATOM 60 CA ASP A 4 13.264 -33.043 4.097 1.00 14.64 C ATOM 61 C ASP A 4 12.662 -32.094 3.077 1.00 14.07 C ATOM 62 O ASP A 4 12.933 -32.200 1.884 1.00 13.88 O ATOM 63 CB ASP A 4 14.796 -33.096 4.043 1.00 13.85 C ATOM 64 CG ASP A 4 15.421 -31.975 4.871 1.00 14.01 C ATOM 65 OD1 ASP A 4 14.820 -31.652 5.922 1.00 14.75 O ATOM 66 OD2 ASP A 4 16.511 -31.508 4.481 1.00 13.73 O ATOM 0 H ASP A 4 12.875 -34.622 2.813 1.00 15.17 H new ATOM 0 HA ASP A 4 13.031 -32.712 5.109 1.00 14.64 H new ATOM 0 HB2 ASP A 4 15.142 -34.061 4.414 1.00 13.85 H new ATOM 0 HB3 ASP A 4 15.128 -33.015 3.008 1.00 13.85 H new ATOM 71 N GLY A 5 11.724 -31.275 3.536 1.00 14.15 N ATOM 72 CA GLY A 5 11.032 -30.317 2.698 1.00 13.71 C ATOM 73 C GLY A 5 11.854 -29.039 2.576 1.00 12.12 C ATOM 74 O GLY A 5 12.709 -28.757 3.410 1.00 11.94 O ATOM 0 H GLY A 5 11.423 -31.261 4.510 1.00 14.15 H new ATOM 0 HA2 GLY A 5 10.860 -30.744 1.710 1.00 13.71 H new ATOM 0 HA3 GLY A 5 10.054 -30.091 3.122 1.00 13.71 H new ATOM 78 N GLU A 6 11.562 -28.247 1.549 1.00 11.32 N ATOM 79 CA GLU A 6 12.241 -26.995 1.259 1.00 9.92 C ATOM 80 C GLU A 6 11.200 -25.995 0.757 1.00 9.91 C ATOM 81 O GLU A 6 10.009 -26.302 0.724 1.00 11.16 O ATOM 82 CB GLU A 6 13.365 -27.226 0.229 1.00 8.76 C ATOM 83 CG GLU A 6 14.737 -27.236 0.911 1.00 9.05 C ATOM 84 CD GLU A 6 15.859 -27.066 -0.115 1.00 8.58 C ATOM 85 OE1 GLU A 6 16.117 -25.898 -0.480 1.00 8.31 O ATOM 86 OE2 GLU A 6 16.437 -28.096 -0.529 1.00 9.20 O ATOM 0 H GLU A 6 10.825 -28.467 0.879 1.00 11.32 H new ATOM 0 HA GLU A 6 12.713 -26.593 2.156 1.00 9.92 H new ATOM 0 HB2 GLU A 6 13.203 -28.173 -0.286 1.00 8.76 H new ATOM 0 HB3 GLU A 6 13.336 -26.443 -0.528 1.00 8.76 H new ATOM 0 HG2 GLU A 6 14.787 -26.434 1.647 1.00 9.05 H new ATOM 0 HG3 GLU A 6 14.872 -28.173 1.451 1.00 9.05 H new ATOM 93 N GLU A 7 11.649 -24.802 0.365 1.00 8.82 N ATOM 94 CA GLU A 7 10.796 -23.736 -0.131 1.00 8.71 C ATOM 95 C GLU A 7 11.248 -23.370 -1.547 1.00 7.24 C ATOM 96 O GLU A 7 12.028 -24.102 -2.156 1.00 6.80 O ATOM 97 CB GLU A 7 10.849 -22.547 0.843 1.00 9.55 C ATOM 98 CG GLU A 7 9.443 -21.983 1.060 1.00 10.76 C ATOM 99 CD GLU A 7 9.486 -20.696 1.883 1.00 11.79 C ATOM 100 OE1 GLU A 7 9.684 -20.805 3.113 1.00 12.88 O ATOM 101 OE2 GLU A 7 9.324 -19.625 1.261 1.00 11.77 O ATOM 0 H GLU A 7 12.637 -24.551 0.386 1.00 8.82 H new ATOM 0 HA GLU A 7 9.754 -24.052 -0.188 1.00 8.71 H new ATOM 0 HB2 GLU A 7 11.273 -22.866 1.795 1.00 9.55 H new ATOM 0 HB3 GLU A 7 11.504 -21.771 0.447 1.00 9.55 H new ATOM 0 HG2 GLU A 7 8.974 -21.786 0.096 1.00 10.76 H new ATOM 0 HG3 GLU A 7 8.826 -22.723 1.569 1.00 10.76 H new ATOM 108 N GLY A 8 10.757 -22.255 -2.091 1.00 6.82 N ATOM 109 CA GLY A 8 11.163 -21.782 -3.404 1.00 5.77 C ATOM 110 C GLY A 8 12.136 -20.617 -3.264 1.00 5.30 C ATOM 111 O GLY A 8 12.825 -20.479 -2.258 1.00 6.11 O ATOM 0 H GLY A 8 10.069 -21.660 -1.630 1.00 6.82 H new ATOM 0 HA2 GLY A 8 11.632 -22.592 -3.962 1.00 5.77 H new ATOM 0 HA3 GLY A 8 10.288 -21.468 -3.973 1.00 5.77 H new ATOM 115 N THR A 9 12.196 -19.769 -4.288 1.00 4.66 N ATOM 116 CA THR A 9 12.993 -18.555 -4.281 1.00 4.82 C ATOM 117 C THR A 9 12.332 -17.569 -5.244 1.00 4.09 C ATOM 118 O THR A 9 11.389 -17.949 -5.939 1.00 3.99 O ATOM 119 CB THR A 9 14.448 -18.883 -4.654 1.00 6.00 C ATOM 120 OG1 THR A 9 15.250 -17.718 -4.671 1.00 6.93 O ATOM 121 CG2 THR A 9 14.555 -19.574 -6.015 1.00 6.40 C ATOM 0 H THR A 9 11.682 -19.913 -5.157 1.00 4.66 H new ATOM 0 HA THR A 9 13.032 -18.099 -3.292 1.00 4.82 H new ATOM 0 HB THR A 9 14.809 -19.566 -3.885 1.00 6.00 H new ATOM 0 HG1 THR A 9 16.170 -17.958 -4.910 1.00 6.93 H new ATOM 0 HG21 THR A 9 15.602 -19.785 -6.234 1.00 6.40 H new ATOM 0 HG22 THR A 9 13.993 -20.508 -5.994 1.00 6.40 H new ATOM 0 HG23 THR A 9 14.147 -18.922 -6.787 1.00 6.40 H new ATOM 129 N GLU A 10 12.853 -16.341 -5.283 1.00 4.53 N ATOM 130 CA GLU A 10 12.457 -15.233 -6.149 1.00 4.30 C ATOM 131 C GLU A 10 11.404 -14.400 -5.416 1.00 3.33 C ATOM 132 O GLU A 10 10.538 -14.951 -4.738 1.00 3.56 O ATOM 133 CB GLU A 10 11.940 -15.715 -7.520 1.00 4.90 C ATOM 134 CG GLU A 10 12.192 -14.676 -8.617 1.00 5.70 C ATOM 135 CD GLU A 10 13.609 -14.821 -9.178 1.00 7.02 C ATOM 136 OE1 GLU A 10 13.727 -15.056 -10.401 1.00 7.60 O ATOM 137 OE2 GLU A 10 14.555 -14.720 -8.365 1.00 7.83 O ATOM 0 H GLU A 10 13.619 -16.078 -4.664 1.00 4.53 H new ATOM 0 HA GLU A 10 13.333 -14.620 -6.362 1.00 4.30 H new ATOM 0 HB2 GLU A 10 12.431 -16.651 -7.786 1.00 4.90 H new ATOM 0 HB3 GLU A 10 10.872 -15.923 -7.454 1.00 4.90 H new ATOM 0 HG2 GLU A 10 11.463 -14.800 -9.418 1.00 5.70 H new ATOM 0 HG3 GLU A 10 12.055 -13.673 -8.214 1.00 5.70 H new ATOM 144 N GLU A 11 11.460 -13.072 -5.521 1.00 2.86 N ATOM 145 CA GLU A 11 10.444 -12.211 -4.938 1.00 1.98 C ATOM 146 C GLU A 11 10.404 -10.900 -5.719 1.00 1.74 C ATOM 147 O GLU A 11 11.392 -10.530 -6.350 1.00 2.41 O ATOM 148 CB GLU A 11 10.733 -11.960 -3.448 1.00 2.22 C ATOM 149 CG GLU A 11 12.032 -11.179 -3.198 1.00 3.48 C ATOM 150 CD GLU A 11 12.238 -10.910 -1.709 1.00 3.93 C ATOM 151 OE1 GLU A 11 11.384 -10.177 -1.156 1.00 4.33 O ATOM 152 OE2 GLU A 11 13.247 -11.389 -1.150 1.00 4.63 O ATOM 0 H GLU A 11 12.204 -12.572 -6.008 1.00 2.86 H new ATOM 0 HA GLU A 11 9.470 -12.697 -5.001 1.00 1.98 H new ATOM 0 HB2 GLU A 11 9.899 -11.411 -3.012 1.00 2.22 H new ATOM 0 HB3 GLU A 11 10.789 -12.918 -2.931 1.00 2.22 H new ATOM 0 HG2 GLU A 11 12.879 -11.743 -3.589 1.00 3.48 H new ATOM 0 HG3 GLU A 11 12.001 -10.234 -3.740 1.00 3.48 H new ATOM 159 N ASP A 12 9.284 -10.180 -5.650 1.00 1.53 N ATOM 160 CA ASP A 12 9.133 -8.854 -6.242 1.00 1.49 C ATOM 161 C ASP A 12 8.116 -8.091 -5.388 1.00 1.70 C ATOM 162 O ASP A 12 7.483 -8.704 -4.525 1.00 3.10 O ATOM 163 CB ASP A 12 8.689 -8.982 -7.708 1.00 2.35 C ATOM 164 CG ASP A 12 9.103 -7.769 -8.544 1.00 2.82 C ATOM 165 OD1 ASP A 12 9.156 -7.913 -9.784 1.00 4.02 O ATOM 166 OD2 ASP A 12 9.374 -6.711 -7.933 1.00 2.94 O ATOM 0 H ASP A 12 8.444 -10.508 -5.173 1.00 1.53 H new ATOM 0 HA ASP A 12 10.076 -8.307 -6.252 1.00 1.49 H new ATOM 0 HB2 ASP A 12 9.122 -9.884 -8.140 1.00 2.35 H new ATOM 0 HB3 ASP A 12 7.606 -9.097 -7.749 1.00 2.35 H new ATOM 171 N THR A 13 7.942 -6.779 -5.564 1.00 1.12 N ATOM 172 CA THR A 13 6.908 -5.983 -4.908 1.00 1.13 C ATOM 173 C THR A 13 5.558 -6.242 -5.578 1.00 1.00 C ATOM 174 O THR A 13 4.899 -5.324 -6.058 1.00 1.31 O ATOM 175 CB THR A 13 7.291 -4.496 -4.980 1.00 1.65 C ATOM 176 OG1 THR A 13 8.654 -4.343 -4.640 1.00 2.43 O ATOM 177 CG2 THR A 13 6.472 -3.636 -4.010 1.00 2.59 C ATOM 0 H THR A 13 8.535 -6.228 -6.185 1.00 1.12 H new ATOM 0 HA THR A 13 6.825 -6.267 -3.859 1.00 1.13 H new ATOM 0 HB THR A 13 7.090 -4.166 -5.999 1.00 1.65 H new ATOM 0 HG1 THR A 13 8.899 -3.395 -4.688 1.00 2.43 H new ATOM 0 HG21 THR A 13 6.780 -2.594 -4.099 1.00 2.59 H new ATOM 0 HG22 THR A 13 5.413 -3.723 -4.252 1.00 2.59 H new ATOM 0 HG23 THR A 13 6.641 -3.978 -2.989 1.00 2.59 H new ATOM 185 N GLU A 14 5.132 -7.502 -5.606 1.00 0.97 N ATOM 186 CA GLU A 14 3.866 -7.885 -6.181 1.00 1.28 C ATOM 187 C GLU A 14 2.790 -7.685 -5.122 1.00 1.35 C ATOM 188 O GLU A 14 1.791 -7.033 -5.396 1.00 1.58 O ATOM 189 CB GLU A 14 3.970 -9.327 -6.692 1.00 1.56 C ATOM 190 CG GLU A 14 2.709 -9.730 -7.474 1.00 1.98 C ATOM 191 CD GLU A 14 3.026 -10.576 -8.713 1.00 2.20 C ATOM 192 OE1 GLU A 14 2.488 -10.229 -9.790 1.00 3.28 O ATOM 193 OE2 GLU A 14 3.807 -11.543 -8.578 1.00 2.55 O ATOM 0 H GLU A 14 5.666 -8.283 -5.226 1.00 0.97 H new ATOM 0 HA GLU A 14 3.596 -7.271 -7.040 1.00 1.28 H new ATOM 0 HB2 GLU A 14 4.846 -9.427 -7.333 1.00 1.56 H new ATOM 0 HB3 GLU A 14 4.112 -10.005 -5.850 1.00 1.56 H new ATOM 0 HG2 GLU A 14 2.043 -10.290 -6.818 1.00 1.98 H new ATOM 0 HG3 GLU A 14 2.174 -8.831 -7.780 1.00 1.98 H new ATOM 200 N GLU A 15 3.003 -8.190 -3.899 1.00 1.25 N ATOM 201 CA GLU A 15 1.972 -8.179 -2.860 1.00 1.29 C ATOM 202 C GLU A 15 2.610 -8.017 -1.475 1.00 1.18 C ATOM 203 O GLU A 15 2.271 -8.706 -0.511 1.00 1.43 O ATOM 204 CB GLU A 15 1.117 -9.450 -2.986 1.00 1.48 C ATOM 205 CG GLU A 15 1.882 -10.743 -2.666 1.00 1.86 C ATOM 206 CD GLU A 15 1.258 -11.936 -3.385 1.00 2.43 C ATOM 207 OE1 GLU A 15 0.064 -12.199 -3.117 1.00 2.55 O ATOM 208 OE2 GLU A 15 1.980 -12.564 -4.187 1.00 3.64 O ATOM 0 H GLU A 15 3.885 -8.612 -3.607 1.00 1.25 H new ATOM 0 HA GLU A 15 1.310 -7.323 -2.991 1.00 1.29 H new ATOM 0 HB2 GLU A 15 0.261 -9.369 -2.316 1.00 1.48 H new ATOM 0 HB3 GLU A 15 0.723 -9.513 -4.000 1.00 1.48 H new ATOM 0 HG2 GLU A 15 2.925 -10.637 -2.966 1.00 1.86 H new ATOM 0 HG3 GLU A 15 1.876 -10.917 -1.590 1.00 1.86 H new ATOM 215 N LYS A 16 3.565 -7.090 -1.376 1.00 0.90 N ATOM 216 CA LYS A 16 4.402 -6.951 -0.184 1.00 0.76 C ATOM 217 C LYS A 16 4.225 -5.570 0.436 1.00 0.61 C ATOM 218 O LYS A 16 4.587 -4.572 -0.182 1.00 0.63 O ATOM 219 CB LYS A 16 5.872 -7.220 -0.527 1.00 0.75 C ATOM 220 CG LYS A 16 6.038 -8.565 -1.256 1.00 0.94 C ATOM 221 CD LYS A 16 7.486 -9.063 -1.278 1.00 1.11 C ATOM 222 CE LYS A 16 8.361 -7.959 -1.844 1.00 0.99 C ATOM 223 NZ LYS A 16 9.765 -8.388 -1.997 1.00 1.23 N ATOM 0 H LYS A 16 3.779 -6.419 -2.114 1.00 0.90 H new ATOM 0 HA LYS A 16 4.087 -7.691 0.551 1.00 0.76 H new ATOM 0 HB2 LYS A 16 6.255 -6.414 -1.154 1.00 0.75 H new ATOM 0 HB3 LYS A 16 6.466 -7.223 0.387 1.00 0.75 H new ATOM 0 HG2 LYS A 16 5.410 -9.313 -0.772 1.00 0.94 H new ATOM 0 HG3 LYS A 16 5.680 -8.463 -2.280 1.00 0.94 H new ATOM 0 HD2 LYS A 16 7.812 -9.328 -0.272 1.00 1.11 H new ATOM 0 HD3 LYS A 16 7.569 -9.963 -1.887 1.00 1.11 H new ATOM 0 HE2 LYS A 16 7.970 -7.647 -2.812 1.00 0.99 H new ATOM 0 HE3 LYS A 16 8.317 -7.090 -1.188 1.00 0.99 H new ATOM 0 HZ1 LYS A 16 10.393 -7.567 -1.884 1.00 1.23 H new ATOM 0 HZ2 LYS A 16 9.992 -9.099 -1.273 1.00 1.23 H new ATOM 0 HZ3 LYS A 16 9.901 -8.801 -2.942 1.00 1.23 H new ATOM 237 N CYS A 17 3.685 -5.516 1.655 1.00 0.63 N ATOM 238 CA CYS A 17 3.500 -4.307 2.441 1.00 0.56 C ATOM 239 C CYS A 17 4.870 -3.674 2.687 1.00 0.61 C ATOM 240 O CYS A 17 5.702 -4.232 3.403 1.00 0.80 O ATOM 241 CB CYS A 17 2.868 -4.711 3.785 1.00 0.56 C ATOM 242 SG CYS A 17 2.138 -3.315 4.675 1.00 0.63 S ATOM 0 H CYS A 17 3.353 -6.352 2.136 1.00 0.63 H new ATOM 0 HA CYS A 17 2.858 -3.594 1.924 1.00 0.56 H new ATOM 0 HB2 CYS A 17 2.099 -5.462 3.607 1.00 0.56 H new ATOM 0 HB3 CYS A 17 3.629 -5.176 4.412 1.00 0.56 H new ATOM 247 N THR A 18 5.091 -2.469 2.161 1.00 0.55 N ATOM 248 CA THR A 18 6.315 -1.727 2.451 1.00 0.61 C ATOM 249 C THR A 18 6.073 -0.755 3.612 1.00 0.62 C ATOM 250 O THR A 18 6.939 0.045 3.959 1.00 0.87 O ATOM 251 CB THR A 18 6.794 -1.002 1.191 1.00 0.76 C ATOM 252 OG1 THR A 18 5.804 -0.097 0.758 1.00 0.95 O ATOM 253 CG2 THR A 18 7.123 -2.001 0.072 1.00 0.88 C ATOM 0 H THR A 18 4.443 -1.990 1.536 1.00 0.55 H new ATOM 0 HA THR A 18 7.102 -2.417 2.756 1.00 0.61 H new ATOM 0 HB THR A 18 7.705 -0.454 1.433 1.00 0.76 H new ATOM 0 HG1 THR A 18 5.259 -0.518 0.061 1.00 0.95 H new ATOM 0 HG21 THR A 18 7.461 -1.459 -0.812 1.00 0.88 H new ATOM 0 HG22 THR A 18 7.910 -2.676 0.407 1.00 0.88 H new ATOM 0 HG23 THR A 18 6.231 -2.578 -0.175 1.00 0.88 H new ATOM 261 N ILE A 19 4.887 -0.822 4.223 1.00 0.56 N ATOM 262 CA ILE A 19 4.507 0.049 5.314 1.00 0.60 C ATOM 263 C ILE A 19 4.982 -0.584 6.618 1.00 0.68 C ATOM 264 O ILE A 19 5.857 -0.036 7.279 1.00 0.78 O ATOM 265 CB ILE A 19 2.994 0.258 5.302 1.00 0.57 C ATOM 266 CG1 ILE A 19 2.542 0.711 3.899 1.00 0.52 C ATOM 267 CG2 ILE A 19 2.636 1.271 6.395 1.00 0.67 C ATOM 268 CD1 ILE A 19 1.279 1.550 3.911 1.00 0.63 C ATOM 0 H ILE A 19 4.164 -1.493 3.964 1.00 0.56 H new ATOM 0 HA ILE A 19 4.971 1.030 5.210 1.00 0.60 H new ATOM 0 HB ILE A 19 2.467 -0.672 5.517 1.00 0.57 H new ATOM 0 HG12 ILE A 19 3.345 1.284 3.435 1.00 0.52 H new ATOM 0 HG13 ILE A 19 2.378 -0.169 3.277 1.00 0.52 H new ATOM 0 HG21 ILE A 19 1.558 1.433 6.402 1.00 0.67 H new ATOM 0 HG22 ILE A 19 2.951 0.886 7.365 1.00 0.67 H new ATOM 0 HG23 ILE A 19 3.144 2.215 6.197 1.00 0.67 H new ATOM 0 HD11 ILE A 19 1.020 1.833 2.891 1.00 0.63 H new ATOM 0 HD12 ILE A 19 0.463 0.973 4.345 1.00 0.63 H new ATOM 0 HD13 ILE A 19 1.445 2.448 4.506 1.00 0.63 H new ATOM 280 N CYS A 20 4.414 -1.747 6.970 1.00 0.68 N ATOM 281 CA CYS A 20 4.790 -2.485 8.169 1.00 0.79 C ATOM 282 C CYS A 20 5.699 -3.662 7.782 1.00 0.75 C ATOM 283 O CYS A 20 5.737 -4.674 8.475 1.00 0.93 O ATOM 284 CB CYS A 20 3.522 -2.897 8.949 1.00 1.03 C ATOM 285 SG CYS A 20 2.557 -4.281 8.255 1.00 1.41 S ATOM 0 H CYS A 20 3.679 -2.197 6.424 1.00 0.68 H new ATOM 0 HA CYS A 20 5.370 -1.859 8.847 1.00 0.79 H new ATOM 0 HB2 CYS A 20 3.816 -3.161 9.965 1.00 1.03 H new ATOM 0 HB3 CYS A 20 2.868 -2.028 9.022 1.00 1.03 H new ATOM 290 N LEU A 21 6.455 -3.497 6.685 1.00 0.78 N ATOM 291 CA LEU A 21 7.533 -4.371 6.229 1.00 0.99 C ATOM 292 C LEU A 21 7.193 -5.857 6.376 1.00 1.05 C ATOM 293 O LEU A 21 7.793 -6.570 7.176 1.00 1.25 O ATOM 294 CB LEU A 21 8.825 -3.986 6.969 1.00 1.27 C ATOM 295 CG LEU A 21 9.376 -2.623 6.518 1.00 1.61 C ATOM 296 CD1 LEU A 21 10.364 -2.090 7.556 1.00 1.97 C ATOM 297 CD2 LEU A 21 10.083 -2.747 5.165 1.00 2.25 C ATOM 0 H LEU A 21 6.317 -2.702 6.061 1.00 0.78 H new ATOM 0 HA LEU A 21 7.677 -4.225 5.159 1.00 0.99 H new ATOM 0 HB2 LEU A 21 8.632 -3.960 8.041 1.00 1.27 H new ATOM 0 HB3 LEU A 21 9.580 -4.754 6.800 1.00 1.27 H new ATOM 0 HG LEU A 21 8.539 -1.932 6.419 1.00 1.61 H new ATOM 0 HD11 LEU A 21 10.750 -1.124 7.229 1.00 1.97 H new ATOM 0 HD12 LEU A 21 9.857 -1.973 8.514 1.00 1.97 H new ATOM 0 HD13 LEU A 21 11.190 -2.792 7.666 1.00 1.97 H new ATOM 0 HD21 LEU A 21 10.466 -1.772 4.864 1.00 2.25 H new ATOM 0 HD22 LEU A 21 10.911 -3.451 5.250 1.00 2.25 H new ATOM 0 HD23 LEU A 21 9.376 -3.106 4.417 1.00 2.25 H new ATOM 309 N SER A 22 6.236 -6.338 5.584 1.00 0.97 N ATOM 310 CA SER A 22 5.806 -7.730 5.630 1.00 1.10 C ATOM 311 C SER A 22 5.068 -8.090 4.351 1.00 1.02 C ATOM 312 O SER A 22 4.525 -7.228 3.668 1.00 0.89 O ATOM 313 CB SER A 22 4.918 -7.958 6.861 1.00 1.18 C ATOM 314 OG SER A 22 4.175 -6.799 7.185 1.00 1.41 O ATOM 0 H SER A 22 5.739 -5.773 4.895 1.00 0.97 H new ATOM 0 HA SER A 22 6.680 -8.377 5.711 1.00 1.10 H new ATOM 0 HB2 SER A 22 4.237 -8.787 6.671 1.00 1.18 H new ATOM 0 HB3 SER A 22 5.538 -8.243 7.711 1.00 1.18 H new ATOM 0 HG SER A 22 4.760 -6.148 7.625 1.00 1.41 H new ATOM 320 N ILE A 23 5.073 -9.367 3.988 1.00 1.21 N ATOM 321 CA ILE A 23 4.345 -9.842 2.831 1.00 1.26 C ATOM 322 C ILE A 23 2.911 -10.141 3.263 1.00 1.35 C ATOM 323 O ILE A 23 2.652 -10.293 4.453 1.00 1.42 O ATOM 324 CB ILE A 23 5.080 -11.049 2.229 1.00 1.51 C ATOM 325 CG1 ILE A 23 6.513 -10.650 1.831 1.00 1.66 C ATOM 326 CG2 ILE A 23 4.356 -11.515 0.961 1.00 1.64 C ATOM 327 CD1 ILE A 23 7.557 -10.640 2.954 1.00 1.58 C ATOM 0 H ILE A 23 5.582 -10.095 4.489 1.00 1.21 H new ATOM 0 HA ILE A 23 4.296 -9.094 2.040 1.00 1.26 H new ATOM 0 HB ILE A 23 5.102 -11.844 2.974 1.00 1.51 H new ATOM 0 HG12 ILE A 23 6.854 -11.334 1.054 1.00 1.66 H new ATOM 0 HG13 ILE A 23 6.479 -9.655 1.387 1.00 1.66 H new ATOM 0 HG21 ILE A 23 4.880 -12.371 0.537 1.00 1.64 H new ATOM 0 HG22 ILE A 23 3.334 -11.802 1.210 1.00 1.64 H new ATOM 0 HG23 ILE A 23 4.338 -10.704 0.233 1.00 1.64 H new ATOM 0 HD11 ILE A 23 8.524 -10.344 2.549 1.00 1.58 H new ATOM 0 HD12 ILE A 23 7.254 -9.932 3.726 1.00 1.58 H new ATOM 0 HD13 ILE A 23 7.635 -11.637 3.387 1.00 1.58 H new ATOM 339 N LEU A 24 1.985 -10.175 2.303 1.00 1.42 N ATOM 340 CA LEU A 24 0.569 -10.372 2.565 1.00 1.57 C ATOM 341 C LEU A 24 0.184 -11.770 2.119 1.00 1.86 C ATOM 342 O LEU A 24 -0.143 -12.615 2.945 1.00 2.22 O ATOM 343 CB LEU A 24 -0.254 -9.308 1.824 1.00 1.55 C ATOM 344 CG LEU A 24 0.286 -7.900 2.052 1.00 1.34 C ATOM 345 CD1 LEU A 24 -0.406 -6.957 1.081 1.00 1.60 C ATOM 346 CD2 LEU A 24 0.035 -7.497 3.493 1.00 1.36 C ATOM 0 H LEU A 24 2.205 -10.065 1.313 1.00 1.42 H new ATOM 0 HA LEU A 24 0.363 -10.268 3.630 1.00 1.57 H new ATOM 0 HB2 LEU A 24 -0.252 -9.528 0.756 1.00 1.55 H new ATOM 0 HB3 LEU A 24 -1.291 -9.356 2.157 1.00 1.55 H new ATOM 0 HG LEU A 24 1.361 -7.859 1.874 1.00 1.34 H new ATOM 0 HD11 LEU A 24 -0.032 -5.944 1.229 1.00 1.60 H new ATOM 0 HD12 LEU A 24 -0.201 -7.273 0.058 1.00 1.60 H new ATOM 0 HD13 LEU A 24 -1.481 -6.977 1.258 1.00 1.60 H new ATOM 0 HD21 LEU A 24 0.419 -6.491 3.662 1.00 1.36 H new ATOM 0 HD22 LEU A 24 -1.036 -7.515 3.695 1.00 1.36 H new ATOM 0 HD23 LEU A 24 0.541 -8.195 4.160 1.00 1.36 H new ATOM 358 N GLU A 25 0.272 -11.985 0.805 1.00 1.78 N ATOM 359 CA GLU A 25 -0.057 -13.202 0.097 1.00 2.16 C ATOM 360 C GLU A 25 -1.418 -13.749 0.515 1.00 2.48 C ATOM 361 O GLU A 25 -2.277 -13.032 1.036 1.00 3.98 O ATOM 362 CB GLU A 25 1.119 -14.193 0.135 1.00 2.29 C ATOM 363 CG GLU A 25 1.435 -14.764 1.521 1.00 2.49 C ATOM 364 CD GLU A 25 2.458 -15.892 1.415 1.00 2.81 C ATOM 365 OE1 GLU A 25 2.049 -17.002 1.004 1.00 4.30 O ATOM 366 OE2 GLU A 25 3.642 -15.626 1.724 1.00 2.25 O ATOM 0 H GLU A 25 0.599 -11.255 0.172 1.00 1.78 H new ATOM 0 HA GLU A 25 -0.191 -12.985 -0.963 1.00 2.16 H new ATOM 0 HB2 GLU A 25 0.901 -15.019 -0.542 1.00 2.29 H new ATOM 0 HB3 GLU A 25 2.009 -13.694 -0.248 1.00 2.29 H new ATOM 0 HG2 GLU A 25 1.821 -13.975 2.166 1.00 2.49 H new ATOM 0 HG3 GLU A 25 0.521 -15.136 1.984 1.00 2.49 H new ATOM 373 N GLU A 26 -1.674 -15.009 0.187 1.00 2.05 N ATOM 374 CA GLU A 26 -2.954 -15.593 0.511 1.00 2.38 C ATOM 375 C GLU A 26 -3.012 -15.808 2.017 1.00 1.65 C ATOM 376 O GLU A 26 -2.153 -16.467 2.598 1.00 2.72 O ATOM 377 CB GLU A 26 -3.163 -16.886 -0.272 1.00 4.03 C ATOM 378 CG GLU A 26 -4.555 -17.497 -0.051 1.00 5.03 C ATOM 379 CD GLU A 26 -4.525 -18.743 0.838 1.00 5.39 C ATOM 380 OE1 GLU A 26 -4.017 -19.779 0.354 1.00 5.99 O ATOM 381 OE2 GLU A 26 -5.060 -18.655 1.966 1.00 5.81 O ATOM 0 H GLU A 26 -1.022 -15.630 -0.293 1.00 2.05 H new ATOM 0 HA GLU A 26 -3.767 -14.926 0.223 1.00 2.38 H new ATOM 0 HB2 GLU A 26 -3.022 -16.689 -1.335 1.00 4.03 H new ATOM 0 HB3 GLU A 26 -2.403 -17.610 0.021 1.00 4.03 H new ATOM 0 HG2 GLU A 26 -5.206 -16.750 0.402 1.00 5.03 H new ATOM 0 HG3 GLU A 26 -4.990 -17.756 -1.016 1.00 5.03 H new ATOM 388 N GLY A 27 -4.013 -15.199 2.640 1.00 1.72 N ATOM 389 CA GLY A 27 -4.170 -15.206 4.082 1.00 2.87 C ATOM 390 C GLY A 27 -4.389 -13.802 4.633 1.00 2.65 C ATOM 391 O GLY A 27 -5.060 -13.667 5.654 1.00 3.35 O ATOM 0 H GLY A 27 -4.744 -14.682 2.150 1.00 1.72 H new ATOM 0 HA2 GLY A 27 -5.015 -15.839 4.353 1.00 2.87 H new ATOM 0 HA3 GLY A 27 -3.284 -15.643 4.542 1.00 2.87 H new ATOM 395 N GLU A 28 -3.852 -12.756 3.991 1.00 1.89 N ATOM 396 CA GLU A 28 -3.949 -11.401 4.527 1.00 1.92 C ATOM 397 C GLU A 28 -4.627 -10.448 3.540 1.00 1.68 C ATOM 398 O GLU A 28 -4.764 -10.744 2.356 1.00 1.72 O ATOM 399 CB GLU A 28 -2.563 -10.892 4.941 1.00 2.35 C ATOM 400 CG GLU A 28 -2.004 -11.713 6.118 1.00 2.89 C ATOM 401 CD GLU A 28 -0.820 -11.043 6.820 1.00 3.99 C ATOM 402 OE1 GLU A 28 -0.879 -9.803 6.987 1.00 4.41 O ATOM 403 OE2 GLU A 28 0.095 -11.771 7.260 1.00 5.23 O ATOM 0 H GLU A 28 -3.350 -12.826 3.106 1.00 1.89 H new ATOM 0 HA GLU A 28 -4.580 -11.433 5.415 1.00 1.92 H new ATOM 0 HB2 GLU A 28 -1.881 -10.953 4.093 1.00 2.35 H new ATOM 0 HB3 GLU A 28 -2.627 -9.841 5.223 1.00 2.35 H new ATOM 0 HG2 GLU A 28 -2.799 -11.881 6.844 1.00 2.89 H new ATOM 0 HG3 GLU A 28 -1.694 -12.692 5.753 1.00 2.89 H new ATOM 410 N ASP A 29 -5.087 -9.299 4.047 1.00 1.68 N ATOM 411 CA ASP A 29 -5.875 -8.349 3.274 1.00 1.56 C ATOM 412 C ASP A 29 -4.970 -7.510 2.378 1.00 1.18 C ATOM 413 O ASP A 29 -3.965 -6.956 2.830 1.00 1.29 O ATOM 414 CB ASP A 29 -6.649 -7.396 4.195 1.00 1.90 C ATOM 415 CG ASP A 29 -7.889 -8.023 4.825 1.00 2.65 C ATOM 416 OD1 ASP A 29 -8.275 -7.531 5.908 1.00 4.00 O ATOM 417 OD2 ASP A 29 -8.446 -8.956 4.206 1.00 2.87 O ATOM 0 H ASP A 29 -4.919 -9.006 5.010 1.00 1.68 H new ATOM 0 HA ASP A 29 -6.576 -8.926 2.670 1.00 1.56 H new ATOM 0 HB2 ASP A 29 -5.985 -7.052 4.987 1.00 1.90 H new ATOM 0 HB3 ASP A 29 -6.948 -6.516 3.625 1.00 1.90 H new ATOM 422 N VAL A 30 -5.382 -7.336 1.123 1.00 1.06 N ATOM 423 CA VAL A 30 -4.611 -6.650 0.099 1.00 1.00 C ATOM 424 C VAL A 30 -5.439 -5.502 -0.467 1.00 0.95 C ATOM 425 O VAL A 30 -6.642 -5.646 -0.674 1.00 1.20 O ATOM 426 CB VAL A 30 -4.197 -7.642 -1.003 1.00 1.44 C ATOM 427 CG1 VAL A 30 -3.445 -8.840 -0.416 1.00 1.94 C ATOM 428 CG2 VAL A 30 -5.385 -8.172 -1.820 1.00 1.90 C ATOM 0 H VAL A 30 -6.282 -7.678 0.787 1.00 1.06 H new ATOM 0 HA VAL A 30 -3.700 -6.239 0.533 1.00 1.00 H new ATOM 0 HB VAL A 30 -3.549 -7.074 -1.670 1.00 1.44 H new ATOM 0 HG11 VAL A 30 -3.166 -9.523 -1.218 1.00 1.94 H new ATOM 0 HG12 VAL A 30 -2.546 -8.492 0.093 1.00 1.94 H new ATOM 0 HG13 VAL A 30 -4.087 -9.359 0.296 1.00 1.94 H new ATOM 0 HG21 VAL A 30 -5.024 -8.866 -2.579 1.00 1.90 H new ATOM 0 HG22 VAL A 30 -6.080 -8.688 -1.158 1.00 1.90 H new ATOM 0 HG23 VAL A 30 -5.895 -7.339 -2.303 1.00 1.90 H new ATOM 438 N ARG A 31 -4.808 -4.360 -0.741 1.00 0.98 N ATOM 439 CA ARG A 31 -5.480 -3.209 -1.316 1.00 0.94 C ATOM 440 C ARG A 31 -4.459 -2.450 -2.147 1.00 0.95 C ATOM 441 O ARG A 31 -3.442 -2.005 -1.619 1.00 1.32 O ATOM 442 CB ARG A 31 -6.058 -2.354 -0.176 1.00 1.03 C ATOM 443 CG ARG A 31 -7.112 -1.348 -0.650 1.00 1.08 C ATOM 444 CD ARG A 31 -6.514 0.007 -1.048 1.00 2.27 C ATOM 445 NE ARG A 31 -7.252 0.615 -2.166 1.00 3.04 N ATOM 446 CZ ARG A 31 -8.477 1.159 -2.121 1.00 3.22 C ATOM 447 NH1 ARG A 31 -9.021 1.629 -3.242 1.00 4.34 N ATOM 448 NH2 ARG A 31 -9.161 1.235 -0.977 1.00 3.06 N ATOM 0 H ARG A 31 -3.814 -4.213 -0.568 1.00 0.98 H new ATOM 0 HA ARG A 31 -6.310 -3.496 -1.962 1.00 0.94 H new ATOM 0 HB2 ARG A 31 -6.502 -3.010 0.572 1.00 1.03 H new ATOM 0 HB3 ARG A 31 -5.246 -1.816 0.314 1.00 1.03 H new ATOM 0 HG2 ARG A 31 -7.648 -1.766 -1.502 1.00 1.08 H new ATOM 0 HG3 ARG A 31 -7.844 -1.197 0.143 1.00 1.08 H new ATOM 0 HD2 ARG A 31 -6.532 0.680 -0.190 1.00 2.27 H new ATOM 0 HD3 ARG A 31 -5.469 -0.124 -1.329 1.00 2.27 H new ATOM 0 HE ARG A 31 -6.782 0.624 -3.071 1.00 3.04 H new ATOM 0 HH11 ARG A 31 -8.507 1.573 -4.121 1.00 4.34 H new ATOM 0 HH12 ARG A 31 -9.952 2.045 -3.222 1.00 4.34 H new ATOM 0 HH21 ARG A 31 -8.753 0.875 -0.114 1.00 3.06 H new ATOM 0 HH22 ARG A 31 -10.091 1.653 -0.966 1.00 3.06 H new ATOM 462 N ARG A 32 -4.712 -2.283 -3.445 1.00 0.75 N ATOM 463 CA ARG A 32 -3.867 -1.421 -4.261 1.00 0.70 C ATOM 464 C ARG A 32 -4.482 -0.041 -4.365 1.00 0.71 C ATOM 465 O ARG A 32 -5.669 0.103 -4.673 1.00 0.98 O ATOM 466 CB ARG A 32 -3.567 -2.012 -5.642 1.00 0.78 C ATOM 467 CG ARG A 32 -4.820 -2.438 -6.411 1.00 1.25 C ATOM 468 CD ARG A 32 -4.853 -1.846 -7.823 1.00 1.37 C ATOM 469 NE ARG A 32 -5.872 -2.507 -8.654 1.00 1.85 N ATOM 470 CZ ARG A 32 -7.199 -2.357 -8.545 1.00 2.13 C ATOM 471 NH1 ARG A 32 -8.014 -3.072 -9.323 1.00 2.62 N ATOM 472 NH2 ARG A 32 -7.708 -1.503 -7.656 1.00 2.99 N ATOM 0 H ARG A 32 -5.483 -2.726 -3.945 1.00 0.75 H new ATOM 0 HA ARG A 32 -2.902 -1.340 -3.760 1.00 0.70 H new ATOM 0 HB2 ARG A 32 -3.021 -1.276 -6.232 1.00 0.78 H new ATOM 0 HB3 ARG A 32 -2.912 -2.875 -5.524 1.00 0.78 H new ATOM 0 HG2 ARG A 32 -4.856 -3.526 -6.473 1.00 1.25 H new ATOM 0 HG3 ARG A 32 -5.707 -2.120 -5.863 1.00 1.25 H new ATOM 0 HD2 ARG A 32 -5.062 -0.778 -7.767 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -3.874 -1.955 -8.289 1.00 1.37 H new ATOM 0 HE ARG A 32 -5.537 -3.139 -9.381 1.00 1.85 H new ATOM 0 HH11 ARG A 32 -7.626 -3.731 -9.998 1.00 2.62 H new ATOM 0 HH12 ARG A 32 -9.025 -2.960 -9.242 1.00 2.62 H new ATOM 0 HH21 ARG A 32 -7.086 -0.961 -7.056 1.00 2.99 H new ATOM 0 HH22 ARG A 32 -8.719 -1.392 -7.576 1.00 2.99 H new ATOM 486 N LEU A 33 -3.669 0.970 -4.090 1.00 0.67 N ATOM 487 CA LEU A 33 -3.973 2.350 -4.335 1.00 0.68 C ATOM 488 C LEU A 33 -4.014 2.596 -5.837 1.00 0.78 C ATOM 489 O LEU A 33 -3.363 1.882 -6.604 1.00 0.89 O ATOM 490 CB LEU A 33 -2.862 3.191 -3.695 1.00 0.75 C ATOM 491 CG LEU A 33 -2.902 3.224 -2.158 1.00 0.74 C ATOM 492 CD1 LEU A 33 -4.329 3.374 -1.615 1.00 2.66 C ATOM 493 CD2 LEU A 33 -2.265 1.993 -1.515 1.00 1.58 C ATOM 0 H LEU A 33 -2.748 0.833 -3.675 1.00 0.67 H new ATOM 0 HA LEU A 33 -4.941 2.618 -3.911 1.00 0.68 H new ATOM 0 HB2 LEU A 33 -1.896 2.799 -4.014 1.00 0.75 H new ATOM 0 HB3 LEU A 33 -2.932 4.212 -4.071 1.00 0.75 H new ATOM 0 HG LEU A 33 -2.315 4.102 -1.888 1.00 0.74 H new ATOM 0 HD11 LEU A 33 -4.304 3.392 -0.525 1.00 2.66 H new ATOM 0 HD12 LEU A 33 -4.763 4.304 -1.983 1.00 2.66 H new ATOM 0 HD13 LEU A 33 -4.936 2.533 -1.950 1.00 2.66 H new ATOM 0 HD21 LEU A 33 -2.325 2.077 -0.430 1.00 1.58 H new ATOM 0 HD22 LEU A 33 -2.795 1.098 -1.840 1.00 1.58 H new ATOM 0 HD23 LEU A 33 -1.220 1.925 -1.816 1.00 1.58 H new ATOM 505 N PRO A 34 -4.718 3.653 -6.258 1.00 0.80 N ATOM 506 CA PRO A 34 -4.812 4.037 -7.654 1.00 0.88 C ATOM 507 C PRO A 34 -3.467 4.513 -8.218 1.00 0.81 C ATOM 508 O PRO A 34 -3.333 4.629 -9.431 1.00 0.92 O ATOM 509 CB PRO A 34 -5.885 5.130 -7.699 1.00 0.95 C ATOM 510 CG PRO A 34 -5.834 5.748 -6.303 1.00 0.87 C ATOM 511 CD PRO A 34 -5.490 4.556 -5.417 1.00 0.80 C ATOM 0 HA PRO A 34 -5.081 3.190 -8.285 1.00 0.88 H new ATOM 0 HB2 PRO A 34 -5.671 5.869 -8.472 1.00 0.95 H new ATOM 0 HB3 PRO A 34 -6.869 4.716 -7.917 1.00 0.95 H new ATOM 0 HG2 PRO A 34 -5.080 6.533 -6.236 1.00 0.87 H new ATOM 0 HG3 PRO A 34 -6.787 6.197 -6.025 1.00 0.87 H new ATOM 0 HD2 PRO A 34 -4.914 4.868 -4.546 1.00 0.80 H new ATOM 0 HD3 PRO A 34 -6.392 4.070 -5.045 1.00 0.80 H new ATOM 519 N CYS A 35 -2.446 4.732 -7.381 1.00 0.71 N ATOM 520 CA CYS A 35 -1.140 5.190 -7.829 1.00 0.72 C ATOM 521 C CYS A 35 -0.207 3.983 -7.995 1.00 0.77 C ATOM 522 O CYS A 35 0.994 4.076 -7.693 1.00 0.85 O ATOM 523 CB CYS A 35 -0.620 6.204 -6.795 1.00 0.71 C ATOM 524 SG CYS A 35 0.123 5.410 -5.336 1.00 1.33 S ATOM 0 H CYS A 35 -2.510 4.594 -6.372 1.00 0.71 H new ATOM 0 HA CYS A 35 -1.194 5.683 -8.800 1.00 0.72 H new ATOM 0 HB2 CYS A 35 0.120 6.850 -7.267 1.00 0.71 H new ATOM 0 HB3 CYS A 35 -1.443 6.843 -6.475 1.00 0.71 H new ATOM 529 N MET A 36 -0.784 2.864 -8.443 1.00 0.85 N ATOM 530 CA MET A 36 -0.161 1.575 -8.690 1.00 0.93 C ATOM 531 C MET A 36 0.750 1.145 -7.544 1.00 0.87 C ATOM 532 O MET A 36 1.972 1.171 -7.658 1.00 1.00 O ATOM 533 CB MET A 36 0.573 1.613 -10.036 1.00 1.20 C ATOM 534 CG MET A 36 -0.419 1.838 -11.180 1.00 1.42 C ATOM 535 SD MET A 36 0.333 2.250 -12.776 1.00 2.64 S ATOM 536 CE MET A 36 0.882 3.941 -12.422 1.00 4.32 C ATOM 0 H MET A 36 -1.781 2.843 -8.658 1.00 0.85 H new ATOM 0 HA MET A 36 -0.941 0.815 -8.742 1.00 0.93 H new ATOM 0 HB2 MET A 36 1.317 2.410 -10.029 1.00 1.20 H new ATOM 0 HB3 MET A 36 1.110 0.677 -10.191 1.00 1.20 H new ATOM 0 HG2 MET A 36 -1.021 0.938 -11.301 1.00 1.42 H new ATOM 0 HG3 MET A 36 -1.100 2.641 -10.898 1.00 1.42 H new ATOM 0 HE1 MET A 36 1.143 4.442 -13.354 1.00 4.32 H new ATOM 0 HE2 MET A 36 0.079 4.488 -11.928 1.00 4.32 H new ATOM 0 HE3 MET A 36 1.755 3.911 -11.770 1.00 4.32 H new ATOM 546 N HIS A 37 0.147 0.733 -6.430 1.00 0.80 N ATOM 547 CA HIS A 37 0.901 0.344 -5.250 1.00 0.82 C ATOM 548 C HIS A 37 0.034 -0.604 -4.409 1.00 0.90 C ATOM 549 O HIS A 37 -0.932 -0.145 -3.804 1.00 1.39 O ATOM 550 CB HIS A 37 1.292 1.635 -4.501 1.00 0.75 C ATOM 551 CG HIS A 37 2.679 2.132 -4.854 1.00 0.90 C ATOM 552 ND1 HIS A 37 3.069 3.320 -5.501 1.00 0.92 N ATOM 553 CD2 HIS A 37 3.805 1.421 -4.551 1.00 1.20 C ATOM 554 CE1 HIS A 37 4.407 3.293 -5.526 1.00 1.23 C ATOM 555 NE2 HIS A 37 4.883 2.171 -4.958 1.00 1.39 N ATOM 0 H HIS A 37 -0.865 0.662 -6.325 1.00 0.80 H new ATOM 0 HA HIS A 37 1.817 -0.194 -5.494 1.00 0.82 H new ATOM 0 HB2 HIS A 37 0.565 2.414 -4.729 1.00 0.75 H new ATOM 0 HB3 HIS A 37 1.240 1.455 -3.427 1.00 0.75 H new ATOM 0 HD2 HIS A 37 3.842 0.450 -4.079 1.00 1.20 H new ATOM 0 HE1 HIS A 37 5.025 4.072 -5.948 1.00 1.23 H new ATOM 0 HE2 HIS A 37 5.866 1.921 -4.849 1.00 1.39 H new ATOM 563 N LEU A 38 0.326 -1.915 -4.411 1.00 0.82 N ATOM 564 CA LEU A 38 -0.418 -2.943 -3.688 1.00 0.89 C ATOM 565 C LEU A 38 0.242 -3.154 -2.334 1.00 1.02 C ATOM 566 O LEU A 38 1.366 -3.645 -2.292 1.00 1.55 O ATOM 567 CB LEU A 38 -0.381 -4.248 -4.505 1.00 1.25 C ATOM 568 CG LEU A 38 -1.339 -5.340 -3.995 1.00 1.86 C ATOM 569 CD1 LEU A 38 -1.242 -6.570 -4.893 1.00 2.32 C ATOM 570 CD2 LEU A 38 -1.066 -5.790 -2.560 1.00 2.88 C ATOM 0 H LEU A 38 1.114 -2.294 -4.936 1.00 0.82 H new ATOM 0 HA LEU A 38 -1.455 -2.640 -3.543 1.00 0.89 H new ATOM 0 HB2 LEU A 38 -0.626 -4.021 -5.542 1.00 1.25 H new ATOM 0 HB3 LEU A 38 0.636 -4.640 -4.497 1.00 1.25 H new ATOM 0 HG LEU A 38 -2.332 -4.891 -4.017 1.00 1.86 H new ATOM 0 HD11 LEU A 38 -1.921 -7.341 -4.529 1.00 2.32 H new ATOM 0 HD12 LEU A 38 -1.514 -6.298 -5.913 1.00 2.32 H new ATOM 0 HD13 LEU A 38 -0.221 -6.951 -4.879 1.00 2.32 H new ATOM 0 HD21 LEU A 38 -1.784 -6.560 -2.277 1.00 2.88 H new ATOM 0 HD22 LEU A 38 -0.056 -6.193 -2.491 1.00 2.88 H new ATOM 0 HD23 LEU A 38 -1.164 -4.938 -1.887 1.00 2.88 H new ATOM 582 N PHE A 39 -0.459 -2.846 -1.239 1.00 0.76 N ATOM 583 CA PHE A 39 0.028 -3.069 0.116 1.00 0.99 C ATOM 584 C PHE A 39 -1.127 -3.612 0.973 1.00 1.01 C ATOM 585 O PHE A 39 -2.190 -3.928 0.446 1.00 2.20 O ATOM 586 CB PHE A 39 0.610 -1.753 0.665 1.00 1.23 C ATOM 587 CG PHE A 39 1.783 -1.166 -0.106 1.00 1.49 C ATOM 588 CD1 PHE A 39 1.841 0.213 -0.386 1.00 1.56 C ATOM 589 CD2 PHE A 39 2.822 -1.997 -0.555 1.00 2.62 C ATOM 590 CE1 PHE A 39 2.926 0.744 -1.107 1.00 1.84 C ATOM 591 CE2 PHE A 39 3.875 -1.483 -1.321 1.00 3.00 C ATOM 592 CZ PHE A 39 3.942 -0.105 -1.578 1.00 2.29 C ATOM 0 H PHE A 39 -1.390 -2.431 -1.274 1.00 0.76 H new ATOM 0 HA PHE A 39 0.828 -3.809 0.134 1.00 0.99 H new ATOM 0 HB2 PHE A 39 -0.188 -1.011 0.693 1.00 1.23 H new ATOM 0 HB3 PHE A 39 0.926 -1.921 1.695 1.00 1.23 H new ATOM 0 HD1 PHE A 39 1.050 0.865 -0.046 1.00 1.56 H new ATOM 0 HD2 PHE A 39 2.809 -3.048 -0.306 1.00 2.62 H new ATOM 0 HE1 PHE A 39 2.978 1.806 -1.299 1.00 1.84 H new ATOM 0 HE2 PHE A 39 4.633 -2.145 -1.713 1.00 3.00 H new ATOM 0 HZ PHE A 39 4.772 0.302 -2.136 1.00 2.29 H new ATOM 602 N HIS A 40 -0.928 -3.767 2.286 1.00 0.92 N ATOM 603 CA HIS A 40 -1.986 -4.198 3.205 1.00 0.76 C ATOM 604 C HIS A 40 -3.152 -3.222 3.128 1.00 0.70 C ATOM 605 O HIS A 40 -2.905 -2.019 3.106 1.00 1.28 O ATOM 606 CB HIS A 40 -1.484 -4.098 4.650 1.00 1.01 C ATOM 607 CG HIS A 40 -1.289 -5.344 5.446 1.00 0.81 C ATOM 608 ND1 HIS A 40 -0.169 -5.548 6.242 1.00 0.88 N ATOM 609 CD2 HIS A 40 -2.165 -6.378 5.588 1.00 1.00 C ATOM 610 CE1 HIS A 40 -0.354 -6.741 6.824 1.00 1.21 C ATOM 611 NE2 HIS A 40 -1.543 -7.254 6.450 1.00 1.23 N ATOM 0 H HIS A 40 -0.031 -3.598 2.741 1.00 0.92 H new ATOM 0 HA HIS A 40 -2.274 -5.214 2.936 1.00 0.76 H new ATOM 0 HB2 HIS A 40 -0.530 -3.571 4.629 1.00 1.01 H new ATOM 0 HB3 HIS A 40 -2.185 -3.467 5.197 1.00 1.01 H new ATOM 0 HD2 HIS A 40 -3.135 -6.487 5.126 1.00 1.00 H new ATOM 0 HE1 HIS A 40 0.345 -7.220 7.493 1.00 1.21 H new ATOM 0 HE2 HIS A 40 -1.922 -8.150 6.757 1.00 1.23 H new ATOM 619 N GLN A 41 -4.392 -3.699 3.247 1.00 0.55 N ATOM 620 CA GLN A 41 -5.515 -2.777 3.385 1.00 0.69 C ATOM 621 C GLN A 41 -5.405 -1.931 4.661 1.00 0.80 C ATOM 622 O GLN A 41 -5.625 -0.726 4.620 1.00 1.18 O ATOM 623 CB GLN A 41 -6.853 -3.521 3.297 1.00 0.87 C ATOM 624 CG GLN A 41 -7.996 -2.499 3.146 1.00 1.26 C ATOM 625 CD GLN A 41 -9.148 -2.966 2.257 1.00 2.08 C ATOM 626 OE1 GLN A 41 -9.000 -3.823 1.397 1.00 3.18 O ATOM 627 NE2 GLN A 41 -10.317 -2.358 2.399 1.00 3.05 N ATOM 0 H GLN A 41 -4.638 -4.689 3.251 1.00 0.55 H new ATOM 0 HA GLN A 41 -5.476 -2.080 2.548 1.00 0.69 H new ATOM 0 HB2 GLN A 41 -6.847 -4.205 2.448 1.00 0.87 H new ATOM 0 HB3 GLN A 41 -7.006 -4.125 4.191 1.00 0.87 H new ATOM 0 HG2 GLN A 41 -8.389 -2.263 4.135 1.00 1.26 H new ATOM 0 HG3 GLN A 41 -7.589 -1.575 2.736 1.00 1.26 H new ATOM 0 HE21 GLN A 41 -10.436 -1.644 3.117 1.00 3.05 H new ATOM 0 HE22 GLN A 41 -11.097 -2.604 1.790 1.00 3.05 H new ATOM 636 N VAL A 42 -5.067 -2.538 5.800 1.00 0.70 N ATOM 637 CA VAL A 42 -4.972 -1.787 7.048 1.00 0.85 C ATOM 638 C VAL A 42 -3.824 -0.780 6.974 1.00 0.86 C ATOM 639 O VAL A 42 -4.047 0.409 7.158 1.00 1.14 O ATOM 640 CB VAL A 42 -4.851 -2.744 8.243 1.00 0.97 C ATOM 641 CG1 VAL A 42 -4.650 -1.981 9.558 1.00 1.11 C ATOM 642 CG2 VAL A 42 -6.135 -3.577 8.355 1.00 1.14 C ATOM 0 H VAL A 42 -4.858 -3.533 5.882 1.00 0.70 H new ATOM 0 HA VAL A 42 -5.887 -1.214 7.198 1.00 0.85 H new ATOM 0 HB VAL A 42 -3.984 -3.383 8.075 1.00 0.97 H new ATOM 0 HG11 VAL A 42 -4.569 -2.690 10.381 1.00 1.11 H new ATOM 0 HG12 VAL A 42 -3.738 -1.388 9.499 1.00 1.11 H new ATOM 0 HG13 VAL A 42 -5.501 -1.322 9.730 1.00 1.11 H new ATOM 0 HG21 VAL A 42 -6.054 -4.258 9.202 1.00 1.14 H new ATOM 0 HG22 VAL A 42 -6.987 -2.914 8.503 1.00 1.14 H new ATOM 0 HG23 VAL A 42 -6.277 -4.152 7.440 1.00 1.14 H new ATOM 652 N CYS A 43 -2.598 -1.237 6.702 1.00 0.77 N ATOM 653 CA CYS A 43 -1.408 -0.411 6.713 1.00 0.86 C ATOM 654 C CYS A 43 -1.577 0.828 5.838 1.00 0.65 C ATOM 655 O CYS A 43 -1.151 1.908 6.241 1.00 0.67 O ATOM 656 CB CYS A 43 -0.236 -1.217 6.172 1.00 1.06 C ATOM 657 SG CYS A 43 0.235 -2.543 7.315 1.00 1.43 S ATOM 0 H CYS A 43 -2.412 -2.211 6.465 1.00 0.77 H new ATOM 0 HA CYS A 43 -1.230 -0.095 7.741 1.00 0.86 H new ATOM 0 HB2 CYS A 43 -0.501 -1.645 5.205 1.00 1.06 H new ATOM 0 HB3 CYS A 43 0.616 -0.558 6.006 1.00 1.06 H new ATOM 662 N VAL A 44 -2.096 0.697 4.610 1.00 0.60 N ATOM 663 CA VAL A 44 -2.282 1.888 3.785 1.00 0.66 C ATOM 664 C VAL A 44 -3.195 2.853 4.534 1.00 0.69 C ATOM 665 O VAL A 44 -2.827 4.005 4.748 1.00 0.67 O ATOM 666 CB VAL A 44 -2.770 1.572 2.362 1.00 0.93 C ATOM 667 CG1 VAL A 44 -1.728 0.685 1.678 1.00 2.95 C ATOM 668 CG2 VAL A 44 -4.141 0.899 2.277 1.00 1.76 C ATOM 0 H VAL A 44 -2.383 -0.184 4.183 1.00 0.60 H new ATOM 0 HA VAL A 44 -1.315 2.364 3.625 1.00 0.66 H new ATOM 0 HB VAL A 44 -2.891 2.533 1.863 1.00 0.93 H new ATOM 0 HG11 VAL A 44 -2.058 0.450 0.666 1.00 2.95 H new ATOM 0 HG12 VAL A 44 -0.774 1.211 1.636 1.00 2.95 H new ATOM 0 HG13 VAL A 44 -1.609 -0.239 2.244 1.00 2.95 H new ATOM 0 HG21 VAL A 44 -4.394 0.719 1.232 1.00 1.76 H new ATOM 0 HG22 VAL A 44 -4.114 -0.050 2.813 1.00 1.76 H new ATOM 0 HG23 VAL A 44 -4.893 1.548 2.725 1.00 1.76 H new ATOM 678 N ASP A 45 -4.313 2.357 5.064 1.00 0.82 N ATOM 679 CA ASP A 45 -5.264 3.138 5.848 1.00 0.96 C ATOM 680 C ASP A 45 -4.756 3.373 7.288 1.00 0.99 C ATOM 681 O ASP A 45 -5.546 3.650 8.188 1.00 1.29 O ATOM 682 CB ASP A 45 -6.632 2.423 5.826 1.00 1.13 C ATOM 683 CG ASP A 45 -7.287 2.397 4.435 1.00 2.51 C ATOM 684 OD1 ASP A 45 -8.249 1.612 4.259 1.00 3.22 O ATOM 685 OD2 ASP A 45 -6.840 3.169 3.556 1.00 3.66 O ATOM 0 H ASP A 45 -4.587 1.380 4.957 1.00 0.82 H new ATOM 0 HA ASP A 45 -5.374 4.127 5.403 1.00 0.96 H new ATOM 0 HB2 ASP A 45 -6.504 1.399 6.178 1.00 1.13 H new ATOM 0 HB3 ASP A 45 -7.304 2.919 6.526 1.00 1.13 H new ATOM 690 N GLN A 46 -3.438 3.320 7.519 1.00 0.79 N ATOM 691 CA GLN A 46 -2.787 3.535 8.804 1.00 0.89 C ATOM 692 C GLN A 46 -1.678 4.575 8.617 1.00 0.85 C ATOM 693 O GLN A 46 -1.756 5.688 9.135 1.00 1.04 O ATOM 694 CB GLN A 46 -2.257 2.201 9.350 1.00 0.97 C ATOM 695 CG GLN A 46 -1.747 2.304 10.790 1.00 1.05 C ATOM 696 CD GLN A 46 -0.971 1.046 11.169 1.00 1.53 C ATOM 697 OE1 GLN A 46 -1.514 -0.051 11.205 1.00 2.69 O ATOM 698 NE2 GLN A 46 0.323 1.171 11.445 1.00 2.50 N ATOM 0 H GLN A 46 -2.771 3.116 6.775 1.00 0.79 H new ATOM 0 HA GLN A 46 -3.493 3.918 9.541 1.00 0.89 H new ATOM 0 HB2 GLN A 46 -3.050 1.455 9.304 1.00 0.97 H new ATOM 0 HB3 GLN A 46 -1.449 1.847 8.709 1.00 0.97 H new ATOM 0 HG2 GLN A 46 -1.106 3.180 10.894 1.00 1.05 H new ATOM 0 HG3 GLN A 46 -2.587 2.440 11.471 1.00 1.05 H new ATOM 0 HE21 GLN A 46 0.765 2.090 11.412 1.00 2.50 H new ATOM 0 HE22 GLN A 46 0.874 0.348 11.690 1.00 2.50 H new ATOM 707 N ARG A 47 -0.625 4.246 7.863 1.00 0.78 N ATOM 708 CA ARG A 47 0.443 5.200 7.594 1.00 0.88 C ATOM 709 C ARG A 47 -0.088 6.384 6.791 1.00 0.89 C ATOM 710 O ARG A 47 0.351 7.509 7.011 1.00 1.08 O ATOM 711 CB ARG A 47 1.639 4.511 6.932 1.00 0.92 C ATOM 712 CG ARG A 47 2.877 5.422 6.862 1.00 1.23 C ATOM 713 CD ARG A 47 4.076 4.627 6.331 1.00 1.60 C ATOM 714 NE ARG A 47 5.323 5.405 6.326 1.00 1.84 N ATOM 715 CZ ARG A 47 6.504 4.931 5.902 1.00 2.19 C ATOM 716 NH1 ARG A 47 7.608 5.666 6.044 1.00 2.56 N ATOM 717 NH2 ARG A 47 6.581 3.722 5.342 1.00 2.73 N ATOM 0 H ARG A 47 -0.494 3.331 7.432 1.00 0.78 H new ATOM 0 HA ARG A 47 0.809 5.602 8.539 1.00 0.88 H new ATOM 0 HB2 ARG A 47 1.888 3.607 7.488 1.00 0.92 H new ATOM 0 HB3 ARG A 47 1.363 4.200 5.925 1.00 0.92 H new ATOM 0 HG2 ARG A 47 2.677 6.274 6.212 1.00 1.23 H new ATOM 0 HG3 ARG A 47 3.103 5.821 7.851 1.00 1.23 H new ATOM 0 HD2 ARG A 47 4.213 3.735 6.942 1.00 1.60 H new ATOM 0 HD3 ARG A 47 3.861 4.289 5.317 1.00 1.60 H new ATOM 0 HE ARG A 47 5.288 6.366 6.666 1.00 1.84 H new ATOM 0 HH11 ARG A 47 7.554 6.589 6.475 1.00 2.56 H new ATOM 0 HH12 ARG A 47 8.506 5.305 5.721 1.00 2.56 H new ATOM 0 HH21 ARG A 47 5.740 3.155 5.235 1.00 2.73 H new ATOM 0 HH22 ARG A 47 7.481 3.365 5.021 1.00 2.73 H new ATOM 731 N LEU A 48 -1.027 6.158 5.867 1.00 0.79 N ATOM 732 CA LEU A 48 -1.605 7.228 5.061 1.00 0.88 C ATOM 733 C LEU A 48 -2.980 7.585 5.645 1.00 0.91 C ATOM 734 O LEU A 48 -3.948 7.751 4.910 1.00 1.50 O ATOM 735 CB LEU A 48 -1.700 6.817 3.574 1.00 0.98 C ATOM 736 CG LEU A 48 -0.385 6.641 2.788 1.00 1.28 C ATOM 737 CD1 LEU A 48 0.754 5.950 3.541 1.00 2.24 C ATOM 738 CD2 LEU A 48 -0.674 5.802 1.539 1.00 1.78 C ATOM 0 H LEU A 48 -1.403 5.233 5.660 1.00 0.79 H new ATOM 0 HA LEU A 48 -0.962 8.108 5.095 1.00 0.88 H new ATOM 0 HB2 LEU A 48 -2.249 5.877 3.521 1.00 0.98 H new ATOM 0 HB3 LEU A 48 -2.300 7.566 3.058 1.00 0.98 H new ATOM 0 HG LEU A 48 -0.045 7.654 2.574 1.00 1.28 H new ATOM 0 HD11 LEU A 48 1.628 5.880 2.894 1.00 2.24 H new ATOM 0 HD12 LEU A 48 1.006 6.528 4.430 1.00 2.24 H new ATOM 0 HD13 LEU A 48 0.440 4.949 3.837 1.00 2.24 H new ATOM 0 HD21 LEU A 48 0.246 5.667 0.970 1.00 1.78 H new ATOM 0 HD22 LEU A 48 -1.062 4.828 1.837 1.00 1.78 H new ATOM 0 HD23 LEU A 48 -1.412 6.313 0.920 1.00 1.78 H new ATOM 750 N ILE A 49 -3.082 7.731 6.973 1.00 0.95 N ATOM 751 CA ILE A 49 -4.266 8.338 7.581 1.00 0.94 C ATOM 752 C ILE A 49 -4.254 9.826 7.234 1.00 0.83 C ATOM 753 O ILE A 49 -5.099 10.310 6.485 1.00 1.61 O ATOM 754 CB ILE A 49 -4.306 8.080 9.105 1.00 1.30 C ATOM 755 CG1 ILE A 49 -4.742 6.625 9.349 1.00 1.34 C ATOM 756 CG2 ILE A 49 -5.290 9.015 9.832 1.00 2.40 C ATOM 757 CD1 ILE A 49 -4.539 6.177 10.804 1.00 2.48 C ATOM 0 H ILE A 49 -2.365 7.440 7.638 1.00 0.95 H new ATOM 0 HA ILE A 49 -5.176 7.887 7.186 1.00 0.94 H new ATOM 0 HB ILE A 49 -3.308 8.271 9.500 1.00 1.30 H new ATOM 0 HG12 ILE A 49 -5.794 6.517 9.084 1.00 1.34 H new ATOM 0 HG13 ILE A 49 -4.178 5.966 8.689 1.00 1.34 H new ATOM 0 HG21 ILE A 49 -5.281 8.794 10.899 1.00 2.40 H new ATOM 0 HG22 ILE A 49 -4.992 10.051 9.674 1.00 2.40 H new ATOM 0 HG23 ILE A 49 -6.295 8.863 9.438 1.00 2.40 H new ATOM 0 HD11 ILE A 49 -4.864 5.143 10.915 1.00 2.48 H new ATOM 0 HD12 ILE A 49 -3.484 6.256 11.065 1.00 2.48 H new ATOM 0 HD13 ILE A 49 -5.125 6.815 11.466 1.00 2.48 H new ATOM 769 N THR A 50 -3.285 10.574 7.764 1.00 1.52 N ATOM 770 CA THR A 50 -3.234 12.020 7.589 1.00 1.77 C ATOM 771 C THR A 50 -2.416 12.364 6.334 1.00 1.61 C ATOM 772 O THR A 50 -1.640 13.316 6.306 1.00 2.18 O ATOM 773 CB THR A 50 -2.724 12.653 8.902 1.00 2.31 C ATOM 774 OG1 THR A 50 -2.799 14.061 8.883 1.00 3.33 O ATOM 775 CG2 THR A 50 -1.300 12.223 9.278 1.00 3.10 C ATOM 0 H THR A 50 -2.520 10.195 8.322 1.00 1.52 H new ATOM 0 HA THR A 50 -4.220 12.447 7.406 1.00 1.77 H new ATOM 0 HB THR A 50 -3.399 12.271 9.668 1.00 2.31 H new ATOM 0 HG1 THR A 50 -2.376 14.400 8.066 1.00 3.33 H new ATOM 0 HG21 THR A 50 -1.008 12.706 10.210 1.00 3.10 H new ATOM 0 HG22 THR A 50 -1.268 11.141 9.405 1.00 3.10 H new ATOM 0 HG23 THR A 50 -0.610 12.516 8.486 1.00 3.10 H new ATOM 783 N ASN A 51 -2.558 11.577 5.264 1.00 1.10 N ATOM 784 CA ASN A 51 -1.828 11.809 4.028 1.00 0.93 C ATOM 785 C ASN A 51 -2.540 11.059 2.911 1.00 0.84 C ATOM 786 O ASN A 51 -3.185 10.060 3.198 1.00 1.12 O ATOM 787 CB ASN A 51 -0.394 11.286 4.172 1.00 1.00 C ATOM 788 CG ASN A 51 0.561 12.061 3.277 1.00 1.12 C ATOM 789 OD1 ASN A 51 0.203 12.494 2.185 1.00 1.28 O ATOM 790 ND2 ASN A 51 1.786 12.267 3.742 1.00 1.84 N ATOM 0 H ASN A 51 -3.179 10.768 5.236 1.00 1.10 H new ATOM 0 HA ASN A 51 -1.791 12.875 3.803 1.00 0.93 H new ATOM 0 HB2 ASN A 51 -0.075 11.371 5.211 1.00 1.00 H new ATOM 0 HB3 ASN A 51 -0.362 10.227 3.914 1.00 1.00 H new ATOM 0 HD21 ASN A 51 2.459 12.797 3.189 1.00 1.84 H new ATOM 0 HD22 ASN A 51 2.055 11.895 4.653 1.00 1.84 H new ATOM 797 N LYS A 52 -2.425 11.496 1.655 1.00 0.71 N ATOM 798 CA LYS A 52 -3.040 10.811 0.520 1.00 0.80 C ATOM 799 C LYS A 52 -2.403 11.333 -0.767 1.00 0.70 C ATOM 800 O LYS A 52 -3.070 11.877 -1.644 1.00 0.99 O ATOM 801 CB LYS A 52 -4.577 10.993 0.561 1.00 1.26 C ATOM 802 CG LYS A 52 -5.312 9.742 1.081 1.00 3.26 C ATOM 803 CD LYS A 52 -6.426 10.129 2.058 1.00 3.58 C ATOM 804 CE LYS A 52 -7.229 8.887 2.457 1.00 5.77 C ATOM 805 NZ LYS A 52 -8.539 9.251 3.037 1.00 6.38 N ATOM 0 H LYS A 52 -1.903 12.334 1.398 1.00 0.71 H new ATOM 0 HA LYS A 52 -2.861 9.737 0.565 1.00 0.80 H new ATOM 0 HB2 LYS A 52 -4.821 11.843 1.198 1.00 1.26 H new ATOM 0 HB3 LYS A 52 -4.937 11.231 -0.440 1.00 1.26 H new ATOM 0 HG2 LYS A 52 -5.734 9.189 0.242 1.00 3.26 H new ATOM 0 HG3 LYS A 52 -4.603 9.078 1.576 1.00 3.26 H new ATOM 0 HD2 LYS A 52 -5.997 10.595 2.945 1.00 3.58 H new ATOM 0 HD3 LYS A 52 -7.085 10.866 1.598 1.00 3.58 H new ATOM 0 HE2 LYS A 52 -7.380 8.254 1.583 1.00 5.77 H new ATOM 0 HE3 LYS A 52 -6.660 8.302 3.179 1.00 5.77 H new ATOM 0 HZ1 LYS A 52 -9.110 8.392 3.170 1.00 6.38 H new ATOM 0 HZ2 LYS A 52 -8.395 9.717 3.956 1.00 6.38 H new ATOM 0 HZ3 LYS A 52 -9.035 9.900 2.394 1.00 6.38 H new ATOM 819 N LYS A 53 -1.098 11.116 -0.921 1.00 0.51 N ATOM 820 CA LYS A 53 -0.400 11.369 -2.180 1.00 0.59 C ATOM 821 C LYS A 53 0.699 10.328 -2.338 1.00 0.56 C ATOM 822 O LYS A 53 1.246 9.889 -1.329 1.00 0.70 O ATOM 823 CB LYS A 53 0.170 12.791 -2.249 1.00 0.82 C ATOM 824 CG LYS A 53 0.938 13.213 -0.990 1.00 1.49 C ATOM 825 CD LYS A 53 2.082 14.163 -1.361 1.00 1.86 C ATOM 826 CE LYS A 53 2.571 14.929 -0.128 1.00 3.13 C ATOM 827 NZ LYS A 53 1.683 16.068 0.193 1.00 3.83 N ATOM 0 H LYS A 53 -0.496 10.761 -0.178 1.00 0.51 H new ATOM 0 HA LYS A 53 -1.111 11.288 -3.002 1.00 0.59 H new ATOM 0 HB2 LYS A 53 0.834 12.864 -3.110 1.00 0.82 H new ATOM 0 HB3 LYS A 53 -0.648 13.492 -2.416 1.00 0.82 H new ATOM 0 HG2 LYS A 53 0.261 13.703 -0.290 1.00 1.49 H new ATOM 0 HG3 LYS A 53 1.336 12.332 -0.486 1.00 1.49 H new ATOM 0 HD2 LYS A 53 2.906 13.596 -1.794 1.00 1.86 H new ATOM 0 HD3 LYS A 53 1.745 14.866 -2.122 1.00 1.86 H new ATOM 0 HE2 LYS A 53 2.619 14.253 0.726 1.00 3.13 H new ATOM 0 HE3 LYS A 53 3.583 15.294 -0.303 1.00 3.13 H new ATOM 0 HZ1 LYS A 53 2.044 16.564 1.033 1.00 3.83 H new ATOM 0 HZ2 LYS A 53 1.657 16.725 -0.612 1.00 3.83 H new ATOM 0 HZ3 LYS A 53 0.723 15.717 0.385 1.00 3.83 H new ATOM 841 N CYS A 54 1.023 9.931 -3.571 1.00 0.58 N ATOM 842 CA CYS A 54 2.188 9.093 -3.821 1.00 0.68 C ATOM 843 C CYS A 54 3.358 10.080 -3.954 1.00 1.00 C ATOM 844 O CYS A 54 3.350 10.870 -4.902 1.00 1.12 O ATOM 845 CB CYS A 54 1.991 8.320 -5.147 1.00 0.67 C ATOM 846 SG CYS A 54 2.180 6.513 -4.919 1.00 0.96 S ATOM 0 H CYS A 54 0.494 10.178 -4.407 1.00 0.58 H new ATOM 0 HA CYS A 54 2.357 8.360 -3.033 1.00 0.68 H new ATOM 0 HB2 CYS A 54 1.000 8.534 -5.548 1.00 0.67 H new ATOM 0 HB3 CYS A 54 2.715 8.671 -5.883 1.00 0.67 H new ATOM 851 N PRO A 55 4.367 10.070 -3.067 1.00 1.58 N ATOM 852 CA PRO A 55 5.515 10.969 -3.142 1.00 2.02 C ATOM 853 C PRO A 55 6.559 10.428 -4.130 1.00 1.85 C ATOM 854 O PRO A 55 7.740 10.322 -3.810 1.00 2.68 O ATOM 855 CB PRO A 55 6.038 11.027 -1.703 1.00 2.97 C ATOM 856 CG PRO A 55 5.778 9.608 -1.202 1.00 2.98 C ATOM 857 CD PRO A 55 4.446 9.256 -1.864 1.00 2.14 C ATOM 0 HA PRO A 55 5.264 11.963 -3.513 1.00 2.02 H new ATOM 0 HB2 PRO A 55 7.097 11.283 -1.666 1.00 2.97 H new ATOM 0 HB3 PRO A 55 5.509 11.771 -1.108 1.00 2.97 H new ATOM 0 HG2 PRO A 55 6.571 8.922 -1.499 1.00 2.98 H new ATOM 0 HG3 PRO A 55 5.713 9.568 -0.115 1.00 2.98 H new ATOM 0 HD2 PRO A 55 4.400 8.195 -2.108 1.00 2.14 H new ATOM 0 HD3 PRO A 55 3.611 9.466 -1.196 1.00 2.14 H new ATOM 865 N ILE A 56 6.111 10.078 -5.336 1.00 1.83 N ATOM 866 CA ILE A 56 6.898 9.597 -6.462 1.00 1.75 C ATOM 867 C ILE A 56 5.960 9.568 -7.671 1.00 1.65 C ATOM 868 O ILE A 56 6.216 10.249 -8.659 1.00 2.53 O ATOM 869 CB ILE A 56 7.579 8.245 -6.149 1.00 2.09 C ATOM 870 CG1 ILE A 56 8.387 7.733 -7.360 1.00 2.45 C ATOM 871 CG2 ILE A 56 6.624 7.150 -5.650 1.00 3.23 C ATOM 872 CD1 ILE A 56 9.889 7.740 -7.070 1.00 3.04 C ATOM 0 H ILE A 56 5.118 10.128 -5.563 1.00 1.83 H new ATOM 0 HA ILE A 56 7.736 10.259 -6.681 1.00 1.75 H new ATOM 0 HB ILE A 56 8.253 8.458 -5.320 1.00 2.09 H new ATOM 0 HG12 ILE A 56 8.068 6.722 -7.611 1.00 2.45 H new ATOM 0 HG13 ILE A 56 8.179 8.358 -8.229 1.00 2.45 H new ATOM 0 HG21 ILE A 56 7.187 6.237 -5.456 1.00 3.23 H new ATOM 0 HG22 ILE A 56 6.140 7.481 -4.731 1.00 3.23 H new ATOM 0 HG23 ILE A 56 5.867 6.954 -6.409 1.00 3.23 H new ATOM 0 HD11 ILE A 56 10.430 7.374 -7.943 1.00 3.04 H new ATOM 0 HD12 ILE A 56 10.211 8.756 -6.844 1.00 3.04 H new ATOM 0 HD13 ILE A 56 10.098 7.095 -6.217 1.00 3.04 H new ATOM 884 N CYS A 57 4.832 8.852 -7.569 1.00 1.08 N ATOM 885 CA CYS A 57 3.830 8.781 -8.636 1.00 1.01 C ATOM 886 C CYS A 57 3.182 10.166 -8.855 1.00 1.15 C ATOM 887 O CYS A 57 2.599 10.415 -9.904 1.00 2.11 O ATOM 888 CB CYS A 57 2.741 7.728 -8.307 1.00 0.93 C ATOM 889 SG CYS A 57 3.325 6.366 -7.226 1.00 1.03 S ATOM 0 H CYS A 57 4.590 8.306 -6.742 1.00 1.08 H new ATOM 0 HA CYS A 57 4.333 8.476 -9.553 1.00 1.01 H new ATOM 0 HB2 CYS A 57 1.901 8.227 -7.824 1.00 0.93 H new ATOM 0 HB3 CYS A 57 2.367 7.304 -9.239 1.00 0.93 H new ATOM 894 N ARG A 58 3.267 11.055 -7.854 1.00 0.96 N ATOM 895 CA ARG A 58 2.773 12.429 -7.847 1.00 1.00 C ATOM 896 C ARG A 58 1.299 12.489 -8.224 1.00 0.98 C ATOM 897 O ARG A 58 0.902 13.217 -9.129 1.00 1.34 O ATOM 898 CB ARG A 58 3.669 13.332 -8.712 1.00 1.22 C ATOM 899 CG ARG A 58 3.561 14.813 -8.310 1.00 1.54 C ATOM 900 CD ARG A 58 2.904 15.703 -9.372 1.00 2.08 C ATOM 901 NE ARG A 58 2.972 17.119 -8.970 1.00 2.63 N ATOM 902 CZ ARG A 58 2.676 18.169 -9.745 1.00 3.52 C ATOM 903 NH1 ARG A 58 2.845 19.409 -9.281 1.00 4.07 N ATOM 904 NH2 ARG A 58 2.217 17.980 -10.982 1.00 4.14 N ATOM 0 H ARG A 58 3.714 10.810 -6.970 1.00 0.96 H new ATOM 0 HA ARG A 58 2.832 12.821 -6.832 1.00 1.00 H new ATOM 0 HB2 ARG A 58 4.705 13.007 -8.621 1.00 1.22 H new ATOM 0 HB3 ARG A 58 3.391 13.220 -9.760 1.00 1.22 H new ATOM 0 HG2 ARG A 58 2.989 14.887 -7.385 1.00 1.54 H new ATOM 0 HG3 ARG A 58 4.560 15.195 -8.098 1.00 1.54 H new ATOM 0 HD2 ARG A 58 3.405 15.566 -10.330 1.00 2.08 H new ATOM 0 HD3 ARG A 58 1.864 15.407 -9.511 1.00 2.08 H new ATOM 0 HE ARG A 58 3.272 17.317 -8.015 1.00 2.63 H new ATOM 0 HH11 ARG A 58 3.200 19.556 -8.336 1.00 4.07 H new ATOM 0 HH12 ARG A 58 2.620 20.210 -9.871 1.00 4.07 H new ATOM 0 HH21 ARG A 58 2.091 17.033 -11.340 1.00 4.14 H new ATOM 0 HH22 ARG A 58 1.992 18.782 -11.571 1.00 4.14 H new ATOM 918 N VAL A 59 0.482 11.760 -7.467 1.00 0.84 N ATOM 919 CA VAL A 59 -0.955 11.712 -7.662 1.00 0.84 C ATOM 920 C VAL A 59 -1.609 11.651 -6.290 1.00 0.70 C ATOM 921 O VAL A 59 -0.968 11.249 -5.318 1.00 0.73 O ATOM 922 CB VAL A 59 -1.295 10.506 -8.555 1.00 0.90 C ATOM 923 CG1 VAL A 59 -1.520 9.210 -7.775 1.00 1.61 C ATOM 924 CG2 VAL A 59 -2.520 10.790 -9.430 1.00 1.72 C ATOM 0 H VAL A 59 0.809 11.181 -6.693 1.00 0.84 H new ATOM 0 HA VAL A 59 -1.335 12.597 -8.172 1.00 0.84 H new ATOM 0 HB VAL A 59 -0.417 10.359 -9.183 1.00 0.90 H new ATOM 0 HG11 VAL A 59 -1.755 8.404 -8.470 1.00 1.61 H new ATOM 0 HG12 VAL A 59 -0.617 8.958 -7.219 1.00 1.61 H new ATOM 0 HG13 VAL A 59 -2.349 9.343 -7.080 1.00 1.61 H new ATOM 0 HG21 VAL A 59 -2.735 9.919 -10.049 1.00 1.72 H new ATOM 0 HG22 VAL A 59 -3.379 11.004 -8.795 1.00 1.72 H new ATOM 0 HG23 VAL A 59 -2.319 11.649 -10.070 1.00 1.72 H new ATOM 934 N ASP A 60 -2.872 12.050 -6.212 1.00 0.67 N ATOM 935 CA ASP A 60 -3.713 11.895 -5.040 1.00 0.68 C ATOM 936 C ASP A 60 -4.149 10.433 -4.919 1.00 0.68 C ATOM 937 O ASP A 60 -4.618 9.822 -5.874 1.00 0.83 O ATOM 938 CB ASP A 60 -4.910 12.861 -5.096 1.00 0.93 C ATOM 939 CG ASP A 60 -5.790 12.772 -6.352 1.00 2.93 C ATOM 940 OD1 ASP A 60 -7.024 12.860 -6.186 1.00 4.07 O ATOM 941 OD2 ASP A 60 -5.217 12.727 -7.466 1.00 4.07 O ATOM 0 H ASP A 60 -3.351 12.504 -6.989 1.00 0.67 H new ATOM 0 HA ASP A 60 -3.148 12.153 -4.145 1.00 0.68 H new ATOM 0 HB2 ASP A 60 -5.538 12.681 -4.223 1.00 0.93 H new ATOM 0 HB3 ASP A 60 -4.533 13.880 -5.012 1.00 0.93 H new ATOM 946 N ILE A 61 -3.941 9.840 -3.742 1.00 0.62 N ATOM 947 CA ILE A 61 -4.276 8.452 -3.466 1.00 0.65 C ATOM 948 C ILE A 61 -5.761 8.332 -3.140 1.00 0.79 C ATOM 949 O ILE A 61 -6.351 7.259 -3.278 1.00 0.90 O ATOM 950 CB ILE A 61 -3.411 7.976 -2.285 1.00 0.57 C ATOM 951 CG1 ILE A 61 -1.922 8.208 -2.532 1.00 0.54 C ATOM 952 CG2 ILE A 61 -3.594 6.503 -1.949 1.00 0.63 C ATOM 953 CD1 ILE A 61 -1.500 7.816 -3.933 1.00 0.61 C ATOM 0 H ILE A 61 -3.528 10.323 -2.944 1.00 0.62 H new ATOM 0 HA ILE A 61 -4.076 7.828 -4.337 1.00 0.65 H new ATOM 0 HB ILE A 61 -3.758 8.577 -1.445 1.00 0.57 H new ATOM 0 HG12 ILE A 61 -1.689 9.260 -2.366 1.00 0.54 H new ATOM 0 HG13 ILE A 61 -1.343 7.635 -1.808 1.00 0.54 H new ATOM 0 HG21 ILE A 61 -2.953 6.239 -1.107 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.635 6.317 -1.685 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -3.325 5.896 -2.814 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -0.433 8.001 -4.057 1.00 0.61 H new ATOM 0 HD12 ILE A 61 -1.706 6.758 -4.092 1.00 0.61 H new ATOM 0 HD13 ILE A 61 -2.057 8.407 -4.660 1.00 0.61 H new ATOM 965 N GLU A 62 -6.357 9.417 -2.648 1.00 0.87 N ATOM 966 CA GLU A 62 -7.756 9.430 -2.275 1.00 1.08 C ATOM 967 C GLU A 62 -8.614 9.327 -3.530 1.00 1.97 C ATOM 968 O GLU A 62 -8.573 10.204 -4.384 1.00 2.51 O ATOM 969 CB GLU A 62 -8.066 10.712 -1.496 1.00 1.67 C ATOM 970 CG GLU A 62 -9.497 10.663 -0.952 1.00 1.93 C ATOM 971 CD GLU A 62 -9.689 11.673 0.176 1.00 2.82 C ATOM 972 OE1 GLU A 62 -9.582 11.227 1.343 1.00 3.59 O ATOM 973 OE2 GLU A 62 -9.913 12.863 -0.128 1.00 3.80 O ATOM 0 H GLU A 62 -5.879 10.306 -2.500 1.00 0.87 H new ATOM 0 HA GLU A 62 -7.981 8.578 -1.633 1.00 1.08 H new ATOM 0 HB2 GLU A 62 -7.360 10.827 -0.674 1.00 1.67 H new ATOM 0 HB3 GLU A 62 -7.945 11.580 -2.145 1.00 1.67 H new ATOM 0 HG2 GLU A 62 -10.203 10.872 -1.756 1.00 1.93 H new ATOM 0 HG3 GLU A 62 -9.717 9.660 -0.588 1.00 1.93 H new ATOM 980 N ALA A 63 -9.409 8.264 -3.647 1.00 2.90 N ATOM 981 CA ALA A 63 -10.314 8.094 -4.768 1.00 4.00 C ATOM 982 C ALA A 63 -11.472 7.233 -4.285 1.00 5.02 C ATOM 983 O ALA A 63 -11.725 6.149 -4.807 1.00 6.14 O ATOM 984 CB ALA A 63 -9.568 7.447 -5.939 1.00 4.73 C ATOM 0 H ALA A 63 -9.439 7.504 -2.968 1.00 2.90 H new ATOM 0 HA ALA A 63 -10.698 9.050 -5.125 1.00 4.00 H new ATOM 0 HB1 ALA A 63 -10.250 7.320 -6.780 1.00 4.73 H new ATOM 0 HB2 ALA A 63 -8.737 8.086 -6.239 1.00 4.73 H new ATOM 0 HB3 ALA A 63 -9.185 6.474 -5.633 1.00 4.73 H new ATOM 990 N GLN A 64 -12.148 7.694 -3.235 1.00 5.00 N ATOM 991 CA GLN A 64 -13.276 6.990 -2.656 1.00 6.04 C ATOM 992 C GLN A 64 -14.221 8.038 -2.073 1.00 5.77 C ATOM 993 O GLN A 64 -13.801 9.169 -1.838 1.00 5.37 O ATOM 994 CB GLN A 64 -12.761 5.983 -1.614 1.00 7.06 C ATOM 995 CG GLN A 64 -13.844 4.986 -1.181 1.00 8.51 C ATOM 996 CD GLN A 64 -13.257 3.766 -0.463 1.00 9.79 C ATOM 997 OE1 GLN A 64 -12.316 3.128 -0.936 1.00 10.34 O ATOM 998 NE2 GLN A 64 -13.819 3.404 0.683 1.00 10.66 N ATOM 0 H GLN A 64 -11.923 8.570 -2.764 1.00 5.00 H new ATOM 0 HA GLN A 64 -13.829 6.411 -3.395 1.00 6.04 H new ATOM 0 HB2 GLN A 64 -11.913 5.437 -2.028 1.00 7.06 H new ATOM 0 HB3 GLN A 64 -12.397 6.523 -0.740 1.00 7.06 H new ATOM 0 HG2 GLN A 64 -14.553 5.487 -0.522 1.00 8.51 H new ATOM 0 HG3 GLN A 64 -14.402 4.656 -2.057 1.00 8.51 H new ATOM 0 HE21 GLN A 64 -14.598 3.943 1.062 1.00 10.66 H new ATOM 0 HE22 GLN A 64 -13.472 2.587 1.185 1.00 10.66 H new ATOM 1007 N LEU A 65 -15.492 7.682 -1.866 1.00 6.74 N ATOM 1008 CA LEU A 65 -16.492 8.585 -1.308 1.00 7.10 C ATOM 1009 C LEU A 65 -15.988 9.138 0.031 1.00 6.70 C ATOM 1010 O LEU A 65 -15.785 8.354 0.958 1.00 7.17 O ATOM 1011 CB LEU A 65 -17.813 7.817 -1.145 1.00 8.43 C ATOM 1012 CG LEU A 65 -18.916 8.647 -0.457 1.00 9.17 C ATOM 1013 CD1 LEU A 65 -20.181 8.668 -1.319 1.00 10.30 C ATOM 1014 CD2 LEU A 65 -19.262 8.049 0.908 1.00 10.08 C ATOM 0 H LEU A 65 -15.854 6.753 -2.083 1.00 6.74 H new ATOM 0 HA LEU A 65 -16.665 9.431 -1.973 1.00 7.10 H new ATOM 0 HB2 LEU A 65 -18.165 7.499 -2.127 1.00 8.43 H new ATOM 0 HB3 LEU A 65 -17.631 6.913 -0.564 1.00 8.43 H new ATOM 0 HG LEU A 65 -18.542 9.662 -0.327 1.00 9.17 H new ATOM 0 HD11 LEU A 65 -20.951 9.257 -0.821 1.00 10.30 H new ATOM 0 HD12 LEU A 65 -19.954 9.113 -2.288 1.00 10.30 H new ATOM 0 HD13 LEU A 65 -20.540 7.649 -1.463 1.00 10.30 H new ATOM 0 HD21 LEU A 65 -20.042 8.647 1.380 1.00 10.08 H new ATOM 0 HD22 LEU A 65 -19.617 7.027 0.778 1.00 10.08 H new ATOM 0 HD23 LEU A 65 -18.374 8.047 1.540 1.00 10.08 H new ATOM 1026 N PRO A 66 -15.765 10.456 0.145 1.00 6.43 N ATOM 1027 CA PRO A 66 -15.303 11.056 1.380 1.00 6.55 C ATOM 1028 C PRO A 66 -16.448 11.078 2.392 1.00 6.96 C ATOM 1029 O PRO A 66 -17.620 11.011 2.023 1.00 7.49 O ATOM 1030 CB PRO A 66 -14.833 12.461 0.995 1.00 6.97 C ATOM 1031 CG PRO A 66 -15.711 12.811 -0.205 1.00 7.21 C ATOM 1032 CD PRO A 66 -15.929 11.462 -0.892 1.00 6.75 C ATOM 0 HA PRO A 66 -14.491 10.503 1.852 1.00 6.55 H new ATOM 0 HB2 PRO A 66 -14.969 13.169 1.813 1.00 6.97 H new ATOM 0 HB3 PRO A 66 -13.774 12.474 0.736 1.00 6.97 H new ATOM 0 HG2 PRO A 66 -16.654 13.261 0.105 1.00 7.21 H new ATOM 0 HG3 PRO A 66 -15.220 13.524 -0.867 1.00 7.21 H new ATOM 0 HD2 PRO A 66 -16.923 11.406 -1.337 1.00 6.75 H new ATOM 0 HD3 PRO A 66 -15.210 11.313 -1.698 1.00 6.75 H new ATOM 1040 N SER A 67 -16.111 11.173 3.677 1.00 7.20 N ATOM 1041 CA SER A 67 -17.083 11.189 4.756 1.00 7.95 C ATOM 1042 C SER A 67 -16.462 11.936 5.938 1.00 8.10 C ATOM 1043 O SER A 67 -15.464 12.631 5.757 1.00 8.05 O ATOM 1044 CB SER A 67 -17.461 9.743 5.101 1.00 8.77 C ATOM 1045 OG SER A 67 -18.641 9.718 5.880 1.00 9.58 O ATOM 0 H SER A 67 -15.145 11.241 3.996 1.00 7.20 H new ATOM 0 HA SER A 67 -18.001 11.705 4.474 1.00 7.95 H new ATOM 0 HB2 SER A 67 -17.609 9.170 4.186 1.00 8.77 H new ATOM 0 HB3 SER A 67 -16.646 9.267 5.647 1.00 8.77 H new ATOM 0 HG SER A 67 -18.873 8.790 6.092 1.00 9.58 H new ATOM 1051 N GLU A 68 -17.043 11.802 7.132 1.00 8.77 N ATOM 1052 CA GLU A 68 -16.553 12.439 8.352 1.00 9.30 C ATOM 1053 C GLU A 68 -15.090 12.082 8.618 1.00 9.43 C ATOM 1054 O GLU A 68 -14.263 12.974 8.791 1.00 9.78 O ATOM 1055 CB GLU A 68 -17.451 12.043 9.534 1.00 10.18 C ATOM 1056 CG GLU A 68 -18.578 13.067 9.699 1.00 10.92 C ATOM 1057 CD GLU A 68 -19.675 12.558 10.636 1.00 12.03 C ATOM 1058 OE1 GLU A 68 -19.373 12.397 11.840 1.00 12.75 O ATOM 1059 OE2 GLU A 68 -20.799 12.339 10.134 1.00 12.46 O ATOM 0 H GLU A 68 -17.880 11.238 7.279 1.00 8.77 H new ATOM 0 HA GLU A 68 -16.596 13.521 8.226 1.00 9.30 H new ATOM 0 HB2 GLU A 68 -17.871 11.051 9.367 1.00 10.18 H new ATOM 0 HB3 GLU A 68 -16.860 11.989 10.448 1.00 10.18 H new ATOM 0 HG2 GLU A 68 -18.169 13.998 10.091 1.00 10.92 H new ATOM 0 HG3 GLU A 68 -19.009 13.294 8.724 1.00 10.92 H new ATOM 1066 N SER A 69 -14.779 10.788 8.680 1.00 9.71 N ATOM 1067 CA SER A 69 -13.422 10.264 8.770 1.00 10.31 C ATOM 1068 C SER A 69 -13.483 8.770 8.439 1.00 11.16 C ATOM 1069 O SER A 69 -14.617 8.295 8.191 1.00 11.57 O ATOM 1070 CB SER A 69 -12.853 10.516 10.171 1.00 10.70 C ATOM 1071 OG SER A 69 -11.504 10.945 10.096 1.00 11.00 O ATOM 1072 OXT SER A 69 -12.414 8.127 8.446 1.00 11.73 O ATOM 0 H SER A 69 -15.488 10.055 8.668 1.00 9.71 H new ATOM 0 HA SER A 69 -12.758 10.764 8.065 1.00 10.31 H new ATOM 0 HB2 SER A 69 -13.452 11.271 10.681 1.00 10.70 H new ATOM 0 HB3 SER A 69 -12.917 9.604 10.764 1.00 10.70 H new ATOM 0 HG SER A 69 -11.160 11.102 11.000 1.00 11.00 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 1.387 -4.142 6.534 1.00 0.90 ZN HETATM 1080 ZN ZN A 102 1.912 4.870 -6.421 1.00 0.75 ZN