USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 527 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 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.146 (180deg=0.0835) 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) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 13 THR OG1 : rot -58:sc= 0.0453 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 31:sc= 0.803 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.281 X(o=0.28,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.526 USER MOD Single : A 51 ASN : amide:sc= 0.0305 X(o=0.031,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 0.192 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.3!) USER MOD Single : A 67 SER OG : rot -84:sc= 0.175 USER MOD Single : A 69 SER OG : rot 5:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.630 -20.588 -6.554 1.00 21.41 N ATOM 2 CA MET A 1 -7.832 -20.251 -7.342 1.00 22.21 C ATOM 3 C MET A 1 -8.783 -19.473 -6.445 1.00 22.14 C ATOM 4 O MET A 1 -8.365 -19.078 -5.362 1.00 21.70 O ATOM 5 CB MET A 1 -8.457 -21.515 -7.961 1.00 23.08 C ATOM 6 CG MET A 1 -8.085 -21.556 -9.443 1.00 23.96 C ATOM 7 SD MET A 1 -6.302 -21.476 -9.756 1.00 23.73 S ATOM 8 CE MET A 1 -6.331 -21.265 -11.556 1.00 25.16 C ATOM 0 H1 MET A 1 -5.783 -20.476 -7.147 1.00 21.41 H new ATOM 0 H2 MET A 1 -6.564 -19.953 -5.733 1.00 21.41 H new ATOM 0 H3 MET A 1 -6.695 -21.573 -6.226 1.00 21.41 H new ATOM 0 HA MET A 1 -7.577 -19.618 -8.192 1.00 22.21 H new ATOM 0 HB2 MET A 1 -8.092 -22.407 -7.453 1.00 23.08 H new ATOM 0 HB3 MET A 1 -9.540 -21.501 -7.841 1.00 23.08 H new ATOM 0 HG2 MET A 1 -8.480 -22.473 -9.881 1.00 23.96 H new ATOM 0 HG3 MET A 1 -8.571 -20.724 -9.952 1.00 23.96 H new ATOM 0 HE1 MET A 1 -5.310 -21.196 -11.931 1.00 25.16 H new ATOM 0 HE2 MET A 1 -6.829 -22.119 -12.015 1.00 25.16 H new ATOM 0 HE3 MET A 1 -6.872 -20.352 -11.807 1.00 25.16 H new ATOM 20 N LYS A 2 -10.021 -19.212 -6.880 1.00 22.75 N ATOM 21 CA LYS A 2 -11.031 -18.692 -5.968 1.00 22.85 C ATOM 22 C LYS A 2 -11.402 -19.775 -4.952 1.00 22.41 C ATOM 23 O LYS A 2 -10.965 -20.917 -5.098 1.00 22.33 O ATOM 24 CB LYS A 2 -12.261 -18.195 -6.748 1.00 24.12 C ATOM 25 CG LYS A 2 -13.084 -19.309 -7.425 1.00 25.29 C ATOM 26 CD LYS A 2 -13.004 -19.262 -8.954 1.00 26.66 C ATOM 27 CE LYS A 2 -13.920 -20.352 -9.523 1.00 28.06 C ATOM 28 NZ LYS A 2 -14.015 -20.291 -10.999 1.00 29.54 N ATOM 0 H LYS A 2 -10.338 -19.351 -7.839 1.00 22.75 H new ATOM 0 HA LYS A 2 -10.629 -17.836 -5.426 1.00 22.85 H new ATOM 0 HB2 LYS A 2 -12.910 -17.645 -6.066 1.00 24.12 H new ATOM 0 HB3 LYS A 2 -11.931 -17.490 -7.511 1.00 24.12 H new ATOM 0 HG2 LYS A 2 -12.729 -20.279 -7.077 1.00 25.29 H new ATOM 0 HG3 LYS A 2 -14.126 -19.222 -7.118 1.00 25.29 H new ATOM 0 HD2 LYS A 2 -13.310 -18.282 -9.319 1.00 26.66 H new ATOM 0 HD3 LYS A 2 -11.977 -19.419 -9.285 1.00 26.66 H new ATOM 0 HE2 LYS A 2 -13.545 -21.331 -9.225 1.00 28.06 H new ATOM 0 HE3 LYS A 2 -14.916 -20.248 -9.092 1.00 28.06 H new ATOM 0 HZ1 LYS A 2 -14.644 -21.046 -11.338 1.00 29.54 H new ATOM 0 HZ2 LYS A 2 -14.398 -19.367 -11.284 1.00 29.54 H new ATOM 0 HZ3 LYS A 2 -13.069 -20.417 -11.413 1.00 29.54 H new ATOM 42 N GLN A 3 -12.276 -19.429 -4.002 1.00 22.41 N ATOM 43 CA GLN A 3 -12.666 -20.292 -2.891 1.00 22.08 C ATOM 44 C GLN A 3 -11.497 -20.397 -1.907 1.00 20.59 C ATOM 45 O GLN A 3 -10.454 -19.792 -2.137 1.00 19.95 O ATOM 46 CB GLN A 3 -13.211 -21.640 -3.418 1.00 23.18 C ATOM 47 CG GLN A 3 -14.536 -22.047 -2.762 1.00 24.41 C ATOM 48 CD GLN A 3 -15.259 -23.090 -3.613 1.00 25.82 C ATOM 49 OE1 GLN A 3 -14.815 -24.221 -3.756 1.00 25.94 O ATOM 50 NE2 GLN A 3 -16.379 -22.727 -4.229 1.00 27.06 N ATOM 0 H GLN A 3 -12.740 -18.521 -3.987 1.00 22.41 H new ATOM 0 HA GLN A 3 -13.496 -19.865 -2.329 1.00 22.08 H new ATOM 0 HB2 GLN A 3 -13.352 -21.572 -4.497 1.00 23.18 H new ATOM 0 HB3 GLN A 3 -12.470 -22.419 -3.241 1.00 23.18 H new ATOM 0 HG2 GLN A 3 -14.347 -22.449 -1.767 1.00 24.41 H new ATOM 0 HG3 GLN A 3 -15.170 -21.170 -2.636 1.00 24.41 H new ATOM 0 HE21 GLN A 3 -16.745 -21.783 -4.107 1.00 27.06 H new ATOM 0 HE22 GLN A 3 -16.872 -23.392 -4.824 1.00 27.06 H new ATOM 59 N ASP A 4 -11.712 -21.100 -0.795 1.00 20.21 N ATOM 60 CA ASP A 4 -10.751 -21.424 0.261 1.00 18.98 C ATOM 61 C ASP A 4 -9.725 -20.315 0.521 1.00 17.43 C ATOM 62 O ASP A 4 -8.545 -20.458 0.214 1.00 16.81 O ATOM 63 CB ASP A 4 -10.091 -22.780 -0.039 1.00 19.49 C ATOM 64 CG ASP A 4 -11.117 -23.914 -0.127 1.00 20.86 C ATOM 65 OD1 ASP A 4 -12.313 -23.633 0.129 1.00 21.38 O ATOM 66 OD2 ASP A 4 -10.697 -25.040 -0.471 1.00 21.54 O ATOM 0 H ASP A 4 -12.633 -21.488 -0.593 1.00 20.21 H new ATOM 0 HA ASP A 4 -11.305 -21.503 1.196 1.00 18.98 H new ATOM 0 HB2 ASP A 4 -9.542 -22.715 -0.978 1.00 19.49 H new ATOM 0 HB3 ASP A 4 -9.364 -23.009 0.740 1.00 19.49 H new ATOM 71 N GLY A 5 -10.183 -19.211 1.122 1.00 17.03 N ATOM 72 CA GLY A 5 -9.336 -18.061 1.411 1.00 15.82 C ATOM 73 C GLY A 5 -8.590 -18.241 2.730 1.00 14.34 C ATOM 74 O GLY A 5 -7.373 -18.390 2.738 1.00 13.53 O ATOM 0 H GLY A 5 -11.152 -19.095 1.419 1.00 17.03 H new ATOM 0 HA2 GLY A 5 -8.620 -17.921 0.601 1.00 15.82 H new ATOM 0 HA3 GLY A 5 -9.946 -17.159 1.456 1.00 15.82 H new ATOM 78 N GLU A 6 -9.321 -18.197 3.850 1.00 14.22 N ATOM 79 CA GLU A 6 -8.805 -18.297 5.217 1.00 13.05 C ATOM 80 C GLU A 6 -8.185 -16.971 5.668 1.00 11.86 C ATOM 81 O GLU A 6 -8.603 -16.403 6.675 1.00 11.86 O ATOM 82 CB GLU A 6 -7.848 -19.492 5.388 1.00 12.96 C ATOM 83 CG GLU A 6 -7.875 -19.983 6.840 1.00 12.63 C ATOM 84 CD GLU A 6 -6.849 -21.090 7.096 1.00 12.71 C ATOM 85 OE1 GLU A 6 -6.938 -22.131 6.408 1.00 13.50 O ATOM 86 OE2 GLU A 6 -6.004 -20.894 8.000 1.00 12.25 O ATOM 0 H GLU A 6 -10.335 -18.086 3.825 1.00 14.22 H new ATOM 0 HA GLU A 6 -9.649 -18.495 5.878 1.00 13.05 H new ATOM 0 HB2 GLU A 6 -8.139 -20.300 4.717 1.00 12.96 H new ATOM 0 HB3 GLU A 6 -6.835 -19.199 5.114 1.00 12.96 H new ATOM 0 HG2 GLU A 6 -7.677 -19.145 7.509 1.00 12.63 H new ATOM 0 HG3 GLU A 6 -8.872 -20.352 7.078 1.00 12.63 H new ATOM 93 N GLU A 7 -7.192 -16.474 4.930 1.00 11.26 N ATOM 94 CA GLU A 7 -6.579 -15.175 5.166 1.00 10.49 C ATOM 95 C GLU A 7 -7.536 -14.028 4.820 1.00 10.87 C ATOM 96 O GLU A 7 -8.587 -14.240 4.214 1.00 12.00 O ATOM 97 CB GLU A 7 -5.264 -15.090 4.373 1.00 10.89 C ATOM 98 CG GLU A 7 -5.472 -15.071 2.848 1.00 12.14 C ATOM 99 CD GLU A 7 -4.176 -15.328 2.070 1.00 12.75 C ATOM 100 OE1 GLU A 7 -3.090 -15.189 2.677 1.00 12.49 O ATOM 101 OE2 GLU A 7 -4.285 -15.679 0.873 1.00 13.74 O ATOM 0 H GLU A 7 -6.787 -16.975 4.139 1.00 11.26 H new ATOM 0 HA GLU A 7 -6.355 -15.070 6.228 1.00 10.49 H new ATOM 0 HB2 GLU A 7 -4.726 -14.190 4.670 1.00 10.89 H new ATOM 0 HB3 GLU A 7 -4.634 -15.940 4.636 1.00 10.89 H new ATOM 0 HG2 GLU A 7 -6.209 -15.826 2.577 1.00 12.14 H new ATOM 0 HG3 GLU A 7 -5.882 -14.105 2.554 1.00 12.14 H new ATOM 108 N GLY A 8 -7.166 -12.802 5.208 1.00 10.17 N ATOM 109 CA GLY A 8 -7.937 -11.601 4.913 1.00 10.63 C ATOM 110 C GLY A 8 -8.843 -11.236 6.085 1.00 10.10 C ATOM 111 O GLY A 8 -10.065 -11.313 5.978 1.00 11.00 O ATOM 0 H GLY A 8 -6.315 -12.620 5.740 1.00 10.17 H new ATOM 0 HA2 GLY A 8 -7.261 -10.773 4.699 1.00 10.63 H new ATOM 0 HA3 GLY A 8 -8.539 -11.761 4.018 1.00 10.63 H new ATOM 115 N THR A 9 -8.263 -10.835 7.219 1.00 8.98 N ATOM 116 CA THR A 9 -9.032 -10.440 8.389 1.00 8.71 C ATOM 117 C THR A 9 -8.167 -9.553 9.290 1.00 7.53 C ATOM 118 O THR A 9 -6.945 -9.563 9.161 1.00 6.97 O ATOM 119 CB THR A 9 -9.578 -11.679 9.108 1.00 9.03 C ATOM 120 OG1 THR A 9 -10.330 -11.294 10.240 1.00 9.49 O ATOM 121 CG2 THR A 9 -8.447 -12.611 9.523 1.00 8.29 C ATOM 0 H THR A 9 -7.253 -10.777 7.346 1.00 8.98 H new ATOM 0 HA THR A 9 -9.899 -9.851 8.091 1.00 8.71 H new ATOM 0 HB THR A 9 -10.226 -12.216 8.415 1.00 9.03 H new ATOM 0 HG1 THR A 9 -10.675 -12.093 10.691 1.00 9.49 H new ATOM 0 HG21 THR A 9 -8.861 -13.482 10.031 1.00 8.29 H new ATOM 0 HG22 THR A 9 -7.898 -12.934 8.638 1.00 8.29 H new ATOM 0 HG23 THR A 9 -7.771 -12.085 10.197 1.00 8.29 H new ATOM 129 N GLU A 10 -8.808 -8.840 10.219 1.00 7.65 N ATOM 130 CA GLU A 10 -8.194 -7.939 11.188 1.00 6.92 C ATOM 131 C GLU A 10 -7.348 -6.835 10.533 1.00 6.10 C ATOM 132 O GLU A 10 -7.595 -6.452 9.388 1.00 6.49 O ATOM 133 CB GLU A 10 -7.457 -8.766 12.260 1.00 6.84 C ATOM 134 CG GLU A 10 -7.855 -8.326 13.674 1.00 7.56 C ATOM 135 CD GLU A 10 -9.279 -8.776 14.021 1.00 9.13 C ATOM 136 OE1 GLU A 10 -10.223 -8.119 13.529 1.00 10.54 O ATOM 137 OE2 GLU A 10 -9.404 -9.770 14.769 1.00 9.26 O ATOM 0 H GLU A 10 -9.822 -8.880 10.318 1.00 7.65 H new ATOM 0 HA GLU A 10 -8.977 -7.377 11.697 1.00 6.92 H new ATOM 0 HB2 GLU A 10 -7.686 -9.823 12.128 1.00 6.84 H new ATOM 0 HB3 GLU A 10 -6.380 -8.655 12.132 1.00 6.84 H new ATOM 0 HG2 GLU A 10 -7.154 -8.743 14.397 1.00 7.56 H new ATOM 0 HG3 GLU A 10 -7.786 -7.241 13.752 1.00 7.56 H new ATOM 144 N GLU A 11 -6.413 -6.241 11.283 1.00 5.36 N ATOM 145 CA GLU A 11 -5.500 -5.258 10.722 1.00 4.53 C ATOM 146 C GLU A 11 -4.374 -5.970 9.981 1.00 3.69 C ATOM 147 O GLU A 11 -4.043 -7.117 10.276 1.00 3.87 O ATOM 148 CB GLU A 11 -4.891 -4.375 11.818 1.00 4.82 C ATOM 149 CG GLU A 11 -4.827 -2.904 11.394 1.00 5.11 C ATOM 150 CD GLU A 11 -6.213 -2.280 11.251 1.00 7.21 C ATOM 151 OE1 GLU A 11 -6.775 -1.861 12.284 1.00 8.11 O ATOM 152 OE2 GLU A 11 -6.677 -2.220 10.090 1.00 8.23 O ATOM 0 H GLU A 11 -6.275 -6.428 12.276 1.00 5.36 H new ATOM 0 HA GLU A 11 -6.066 -4.626 10.038 1.00 4.53 H new ATOM 0 HB2 GLU A 11 -5.483 -4.465 12.728 1.00 4.82 H new ATOM 0 HB3 GLU A 11 -3.888 -4.729 12.054 1.00 4.82 H new ATOM 0 HG2 GLU A 11 -4.252 -2.341 12.129 1.00 5.11 H new ATOM 0 HG3 GLU A 11 -4.296 -2.825 10.445 1.00 5.11 H new ATOM 159 N ASP A 12 -3.739 -5.232 9.071 1.00 3.46 N ATOM 160 CA ASP A 12 -2.897 -5.754 8.008 1.00 2.97 C ATOM 161 C ASP A 12 -3.728 -6.601 7.037 1.00 2.88 C ATOM 162 O ASP A 12 -4.729 -7.220 7.369 1.00 4.27 O ATOM 163 CB ASP A 12 -1.593 -6.408 8.500 1.00 3.16 C ATOM 164 CG ASP A 12 -0.467 -6.326 7.453 1.00 3.14 C ATOM 165 OD1 ASP A 12 -0.749 -5.859 6.321 1.00 4.28 O ATOM 166 OD2 ASP A 12 0.673 -6.718 7.794 1.00 3.14 O ATOM 0 H ASP A 12 -3.803 -4.214 9.058 1.00 3.46 H new ATOM 0 HA ASP A 12 -2.521 -4.907 7.435 1.00 2.97 H new ATOM 0 HB2 ASP A 12 -1.268 -5.919 9.419 1.00 3.16 H new ATOM 0 HB3 ASP A 12 -1.783 -7.453 8.745 1.00 3.16 H new ATOM 171 N THR A 13 -3.378 -6.500 5.767 1.00 1.85 N ATOM 172 CA THR A 13 -4.103 -7.051 4.634 1.00 1.89 C ATOM 173 C THR A 13 -3.034 -7.404 3.618 1.00 1.09 C ATOM 174 O THR A 13 -3.054 -6.915 2.490 1.00 1.55 O ATOM 175 CB THR A 13 -5.130 -6.029 4.118 1.00 2.63 C ATOM 176 OG1 THR A 13 -5.914 -6.560 3.076 1.00 3.07 O ATOM 177 CG2 THR A 13 -4.464 -4.746 3.616 1.00 2.62 C ATOM 0 H THR A 13 -2.534 -6.004 5.482 1.00 1.85 H new ATOM 0 HA THR A 13 -4.688 -7.937 4.881 1.00 1.89 H new ATOM 0 HB THR A 13 -5.766 -5.792 4.971 1.00 2.63 H new ATOM 0 HG1 THR A 13 -5.332 -6.844 2.340 1.00 3.07 H new ATOM 0 HG21 THR A 13 -5.228 -4.054 3.262 1.00 2.62 H new ATOM 0 HG22 THR A 13 -3.905 -4.284 4.430 1.00 2.62 H new ATOM 0 HG23 THR A 13 -3.784 -4.985 2.799 1.00 2.62 H new ATOM 185 N GLU A 14 -2.031 -8.154 4.068 1.00 0.71 N ATOM 186 CA GLU A 14 -0.797 -8.287 3.329 1.00 0.94 C ATOM 187 C GLU A 14 -1.064 -9.121 2.067 1.00 1.19 C ATOM 188 O GLU A 14 -1.030 -10.347 2.110 1.00 1.56 O ATOM 189 CB GLU A 14 0.266 -8.948 4.229 1.00 1.90 C ATOM 190 CG GLU A 14 1.642 -8.569 3.690 1.00 2.30 C ATOM 191 CD GLU A 14 2.830 -9.282 4.335 1.00 3.32 C ATOM 192 OE1 GLU A 14 2.757 -10.509 4.548 1.00 3.76 O ATOM 193 OE2 GLU A 14 3.827 -8.567 4.598 1.00 4.39 O ATOM 0 H GLU A 14 -2.057 -8.676 4.944 1.00 0.71 H new ATOM 0 HA GLU A 14 -0.421 -7.310 3.025 1.00 0.94 H new ATOM 0 HB2 GLU A 14 0.155 -8.612 5.260 1.00 1.90 H new ATOM 0 HB3 GLU A 14 0.143 -10.031 4.232 1.00 1.90 H new ATOM 0 HG2 GLU A 14 1.660 -8.771 2.619 1.00 2.30 H new ATOM 0 HG3 GLU A 14 1.776 -7.495 3.814 1.00 2.30 H new ATOM 200 N GLU A 15 -1.414 -8.483 0.952 1.00 1.40 N ATOM 201 CA GLU A 15 -2.073 -9.161 -0.143 1.00 1.61 C ATOM 202 C GLU A 15 -1.825 -8.407 -1.451 1.00 1.72 C ATOM 203 O GLU A 15 -0.924 -7.572 -1.542 1.00 2.90 O ATOM 204 CB GLU A 15 -3.576 -9.301 0.187 1.00 1.74 C ATOM 205 CG GLU A 15 -4.029 -10.761 0.149 1.00 2.13 C ATOM 206 CD GLU A 15 -5.548 -10.831 0.305 1.00 2.30 C ATOM 207 OE1 GLU A 15 -6.017 -10.838 1.465 1.00 2.95 O ATOM 208 OE2 GLU A 15 -6.220 -10.803 -0.753 1.00 3.07 O ATOM 0 H GLU A 15 -1.247 -7.490 0.790 1.00 1.40 H new ATOM 0 HA GLU A 15 -1.665 -10.163 -0.276 1.00 1.61 H new ATOM 0 HB2 GLU A 15 -3.772 -8.885 1.175 1.00 1.74 H new ATOM 0 HB3 GLU A 15 -4.161 -8.720 -0.526 1.00 1.74 H new ATOM 0 HG2 GLU A 15 -3.728 -11.221 -0.792 1.00 2.13 H new ATOM 0 HG3 GLU A 15 -3.545 -11.323 0.948 1.00 2.13 H new ATOM 215 N LYS A 16 -2.614 -8.726 -2.480 1.00 0.95 N ATOM 216 CA LYS A 16 -2.560 -8.066 -3.777 1.00 0.82 C ATOM 217 C LYS A 16 -2.535 -6.540 -3.640 1.00 0.68 C ATOM 218 O LYS A 16 -3.255 -5.966 -2.822 1.00 0.82 O ATOM 219 CB LYS A 16 -3.694 -8.547 -4.684 1.00 0.96 C ATOM 220 CG LYS A 16 -5.051 -8.370 -4.018 1.00 1.62 C ATOM 221 CD LYS A 16 -6.180 -8.563 -5.029 1.00 2.47 C ATOM 222 CE LYS A 16 -7.514 -8.339 -4.314 1.00 3.44 C ATOM 223 NZ LYS A 16 -8.620 -8.140 -5.274 1.00 4.41 N ATOM 0 H LYS A 16 -3.318 -9.462 -2.430 1.00 0.95 H new ATOM 0 HA LYS A 16 -1.621 -8.347 -4.254 1.00 0.82 H new ATOM 0 HB2 LYS A 16 -3.672 -7.992 -5.622 1.00 0.96 H new ATOM 0 HB3 LYS A 16 -3.543 -9.598 -4.932 1.00 0.96 H new ATOM 0 HG2 LYS A 16 -5.158 -9.088 -3.205 1.00 1.62 H new ATOM 0 HG3 LYS A 16 -5.118 -7.376 -3.577 1.00 1.62 H new ATOM 0 HD2 LYS A 16 -6.071 -7.862 -5.857 1.00 2.47 H new ATOM 0 HD3 LYS A 16 -6.141 -9.566 -5.453 1.00 2.47 H new ATOM 0 HE2 LYS A 16 -7.734 -9.196 -3.677 1.00 3.44 H new ATOM 0 HE3 LYS A 16 -7.436 -7.469 -3.662 1.00 3.44 H new ATOM 0 HZ1 LYS A 16 -9.508 -7.991 -4.754 1.00 4.41 H new ATOM 0 HZ2 LYS A 16 -8.421 -7.308 -5.865 1.00 4.41 H new ATOM 0 HZ3 LYS A 16 -8.710 -8.981 -5.879 1.00 4.41 H new ATOM 237 N CYS A 17 -1.716 -5.875 -4.455 1.00 0.54 N ATOM 238 CA CYS A 17 -1.649 -4.438 -4.456 1.00 0.43 C ATOM 239 C CYS A 17 -2.966 -3.895 -5.013 1.00 0.44 C ATOM 240 O CYS A 17 -3.641 -4.512 -5.836 1.00 0.59 O ATOM 241 CB CYS A 17 -0.407 -3.982 -5.236 1.00 0.42 C ATOM 242 SG CYS A 17 -0.142 -2.176 -5.296 1.00 0.38 S ATOM 0 H CYS A 17 -1.090 -6.325 -5.123 1.00 0.54 H new ATOM 0 HA CYS A 17 -1.535 -4.037 -3.449 1.00 0.43 H new ATOM 0 HB2 CYS A 17 0.472 -4.447 -4.790 1.00 0.42 H new ATOM 0 HB3 CYS A 17 -0.482 -4.356 -6.257 1.00 0.42 H new ATOM 247 N THR A 18 -3.349 -2.720 -4.533 1.00 0.41 N ATOM 248 CA THR A 18 -4.645 -2.137 -4.847 1.00 0.46 C ATOM 249 C THR A 18 -4.478 -0.750 -5.438 1.00 0.41 C ATOM 250 O THR A 18 -5.332 -0.311 -6.201 1.00 0.55 O ATOM 251 CB THR A 18 -5.590 -2.234 -3.648 1.00 0.69 C ATOM 252 OG1 THR A 18 -6.900 -2.527 -4.083 1.00 1.58 O ATOM 253 CG2 THR A 18 -5.641 -0.954 -2.829 1.00 1.11 C ATOM 0 H THR A 18 -2.772 -2.146 -3.917 1.00 0.41 H new ATOM 0 HA THR A 18 -5.136 -2.715 -5.630 1.00 0.46 H new ATOM 0 HB THR A 18 -5.197 -3.031 -3.016 1.00 0.69 H new ATOM 0 HG1 THR A 18 -7.496 -2.589 -3.308 1.00 1.58 H new ATOM 0 HG21 THR A 18 -6.328 -1.084 -1.993 1.00 1.11 H new ATOM 0 HG22 THR A 18 -4.645 -0.725 -2.449 1.00 1.11 H new ATOM 0 HG23 THR A 18 -5.986 -0.133 -3.458 1.00 1.11 H new ATOM 261 N ILE A 19 -3.360 -0.079 -5.155 1.00 0.32 N ATOM 262 CA ILE A 19 -3.038 1.174 -5.794 1.00 0.43 C ATOM 263 C ILE A 19 -2.748 0.924 -7.265 1.00 0.51 C ATOM 264 O ILE A 19 -3.145 1.718 -8.111 1.00 0.67 O ATOM 265 CB ILE A 19 -1.852 1.800 -5.044 1.00 0.38 C ATOM 266 CG1 ILE A 19 -2.312 2.304 -3.666 1.00 0.36 C ATOM 267 CG2 ILE A 19 -1.232 2.965 -5.814 1.00 0.50 C ATOM 268 CD1 ILE A 19 -2.042 1.323 -2.531 1.00 0.32 C ATOM 0 H ILE A 19 -2.664 -0.396 -4.480 1.00 0.32 H new ATOM 0 HA ILE A 19 -3.870 1.877 -5.753 1.00 0.43 H new ATOM 0 HB ILE A 19 -1.095 1.023 -4.935 1.00 0.38 H new ATOM 0 HG12 ILE A 19 -1.809 3.246 -3.447 1.00 0.36 H new ATOM 0 HG13 ILE A 19 -3.381 2.515 -3.705 1.00 0.36 H new ATOM 0 HG21 ILE A 19 -0.398 3.375 -5.244 1.00 0.50 H new ATOM 0 HG22 ILE A 19 -0.873 2.612 -6.781 1.00 0.50 H new ATOM 0 HG23 ILE A 19 -1.983 3.740 -5.967 1.00 0.50 H new ATOM 0 HD11 ILE A 19 -2.394 1.748 -1.591 1.00 0.32 H new ATOM 0 HD12 ILE A 19 -2.568 0.388 -2.725 1.00 0.32 H new ATOM 0 HD13 ILE A 19 -0.971 1.130 -2.464 1.00 0.32 H new ATOM 280 N CYS A 20 -2.093 -0.196 -7.573 1.00 0.46 N ATOM 281 CA CYS A 20 -1.879 -0.592 -8.956 1.00 0.60 C ATOM 282 C CYS A 20 -2.942 -1.600 -9.404 1.00 0.46 C ATOM 283 O CYS A 20 -2.779 -2.241 -10.438 1.00 0.51 O ATOM 284 CB CYS A 20 -0.468 -1.168 -9.103 1.00 0.80 C ATOM 285 SG CYS A 20 -0.037 -2.291 -7.751 1.00 1.53 S ATOM 0 H CYS A 20 -1.705 -0.839 -6.883 1.00 0.46 H new ATOM 0 HA CYS A 20 -1.971 0.282 -9.601 1.00 0.60 H new ATOM 0 HB2 CYS A 20 -0.393 -1.700 -10.051 1.00 0.80 H new ATOM 0 HB3 CYS A 20 0.253 -0.351 -9.137 1.00 0.80 H new ATOM 290 N LEU A 21 -4.038 -1.722 -8.644 1.00 0.48 N ATOM 291 CA LEU A 21 -5.161 -2.610 -8.947 1.00 0.58 C ATOM 292 C LEU A 21 -4.732 -3.987 -9.481 1.00 0.53 C ATOM 293 O LEU A 21 -5.342 -4.529 -10.400 1.00 0.77 O ATOM 294 CB LEU A 21 -6.156 -1.881 -9.848 1.00 0.75 C ATOM 295 CG LEU A 21 -7.274 -1.211 -9.032 1.00 1.04 C ATOM 296 CD1 LEU A 21 -7.121 0.304 -9.028 1.00 1.21 C ATOM 297 CD2 LEU A 21 -8.620 -1.627 -9.618 1.00 1.46 C ATOM 0 H LEU A 21 -4.169 -1.192 -7.782 1.00 0.48 H new ATOM 0 HA LEU A 21 -5.667 -2.852 -8.012 1.00 0.58 H new ATOM 0 HB2 LEU A 21 -5.631 -1.127 -10.435 1.00 0.75 H new ATOM 0 HB3 LEU A 21 -6.593 -2.587 -10.554 1.00 0.75 H new ATOM 0 HG LEU A 21 -7.212 -1.537 -7.994 1.00 1.04 H new ATOM 0 HD11 LEU A 21 -7.926 0.749 -8.443 1.00 1.21 H new ATOM 0 HD12 LEU A 21 -6.161 0.572 -8.587 1.00 1.21 H new ATOM 0 HD13 LEU A 21 -7.167 0.677 -10.051 1.00 1.21 H new ATOM 0 HD21 LEU A 21 -9.424 -1.160 -9.050 1.00 1.46 H new ATOM 0 HD22 LEU A 21 -8.678 -1.308 -10.659 1.00 1.46 H new ATOM 0 HD23 LEU A 21 -8.721 -2.711 -9.565 1.00 1.46 H new ATOM 309 N SER A 22 -3.687 -4.584 -8.908 1.00 0.42 N ATOM 310 CA SER A 22 -3.178 -5.871 -9.374 1.00 0.44 C ATOM 311 C SER A 22 -2.355 -6.576 -8.298 1.00 0.43 C ATOM 312 O SER A 22 -1.864 -5.960 -7.360 1.00 0.45 O ATOM 313 CB SER A 22 -2.315 -5.662 -10.626 1.00 0.49 C ATOM 314 OG SER A 22 -3.135 -5.600 -11.774 1.00 1.48 O ATOM 0 H SER A 22 -3.175 -4.194 -8.117 1.00 0.42 H new ATOM 0 HA SER A 22 -4.034 -6.503 -9.611 1.00 0.44 H new ATOM 0 HB2 SER A 22 -1.739 -4.742 -10.531 1.00 0.49 H new ATOM 0 HB3 SER A 22 -1.599 -6.478 -10.724 1.00 0.49 H new ATOM 0 HG SER A 22 -4.007 -5.223 -11.533 1.00 1.48 H new ATOM 320 N ILE A 23 -2.182 -7.891 -8.445 1.00 0.49 N ATOM 321 CA ILE A 23 -1.311 -8.683 -7.599 1.00 0.57 C ATOM 322 C ILE A 23 0.088 -8.077 -7.530 1.00 0.54 C ATOM 323 O ILE A 23 0.549 -7.424 -8.465 1.00 0.51 O ATOM 324 CB ILE A 23 -1.325 -10.155 -8.031 1.00 0.65 C ATOM 325 CG1 ILE A 23 -1.025 -10.417 -9.515 1.00 0.71 C ATOM 326 CG2 ILE A 23 -2.687 -10.764 -7.697 1.00 0.76 C ATOM 327 CD1 ILE A 23 0.468 -10.584 -9.737 1.00 2.38 C ATOM 0 H ILE A 23 -2.653 -8.436 -9.167 1.00 0.49 H new ATOM 0 HA ILE A 23 -1.693 -8.663 -6.578 1.00 0.57 H new ATOM 0 HB ILE A 23 -0.509 -10.619 -7.477 1.00 0.65 H new ATOM 0 HG12 ILE A 23 -1.550 -11.314 -9.845 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -1.398 -9.589 -10.119 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -2.702 -11.810 -8.002 1.00 0.76 H new ATOM 0 HG22 ILE A 23 -2.862 -10.696 -6.623 1.00 0.76 H new ATOM 0 HG23 ILE A 23 -3.469 -10.220 -8.227 1.00 0.76 H new ATOM 0 HD11 ILE A 23 0.660 -10.769 -10.794 1.00 2.38 H new ATOM 0 HD12 ILE A 23 0.986 -9.676 -9.427 1.00 2.38 H new ATOM 0 HD13 ILE A 23 0.831 -11.427 -9.149 1.00 2.38 H new ATOM 339 N LEU A 24 0.750 -8.276 -6.391 1.00 0.62 N ATOM 340 CA LEU A 24 2.130 -7.902 -6.221 1.00 0.66 C ATOM 341 C LEU A 24 3.018 -8.778 -7.091 1.00 0.81 C ATOM 342 O LEU A 24 2.631 -9.852 -7.542 1.00 0.90 O ATOM 343 CB LEU A 24 2.524 -8.050 -4.745 1.00 0.74 C ATOM 344 CG LEU A 24 2.199 -6.815 -3.903 1.00 0.64 C ATOM 345 CD1 LEU A 24 2.514 -7.086 -2.430 1.00 0.71 C ATOM 346 CD2 LEU A 24 2.998 -5.597 -4.363 1.00 0.74 C ATOM 0 H LEU A 24 0.332 -8.703 -5.565 1.00 0.62 H new ATOM 0 HA LEU A 24 2.261 -6.863 -6.524 1.00 0.66 H new ATOM 0 HB2 LEU A 24 2.009 -8.914 -4.324 1.00 0.74 H new ATOM 0 HB3 LEU A 24 3.593 -8.254 -4.681 1.00 0.74 H new ATOM 0 HG LEU A 24 1.137 -6.604 -4.028 1.00 0.64 H new ATOM 0 HD11 LEU A 24 2.279 -6.201 -1.839 1.00 0.71 H new ATOM 0 HD12 LEU A 24 1.915 -7.926 -2.079 1.00 0.71 H new ATOM 0 HD13 LEU A 24 3.572 -7.324 -2.322 1.00 0.71 H new ATOM 0 HD21 LEU A 24 2.742 -4.738 -3.743 1.00 0.74 H new ATOM 0 HD22 LEU A 24 4.064 -5.805 -4.272 1.00 0.74 H new ATOM 0 HD23 LEU A 24 2.759 -5.377 -5.404 1.00 0.74 H new ATOM 358 N GLU A 25 4.242 -8.304 -7.273 1.00 0.92 N ATOM 359 CA GLU A 25 5.242 -8.894 -8.137 1.00 1.13 C ATOM 360 C GLU A 25 6.469 -9.122 -7.262 1.00 0.90 C ATOM 361 O GLU A 25 7.186 -8.190 -6.904 1.00 1.24 O ATOM 362 CB GLU A 25 5.494 -8.013 -9.373 1.00 1.40 C ATOM 363 CG GLU A 25 5.467 -6.528 -9.005 1.00 1.26 C ATOM 364 CD GLU A 25 5.724 -5.568 -10.160 1.00 1.57 C ATOM 365 OE1 GLU A 25 6.001 -6.026 -11.288 1.00 1.95 O ATOM 366 OE2 GLU A 25 5.617 -4.356 -9.858 1.00 2.54 O ATOM 0 H GLU A 25 4.574 -7.463 -6.801 1.00 0.92 H new ATOM 0 HA GLU A 25 4.923 -9.847 -8.559 1.00 1.13 H new ATOM 0 HB2 GLU A 25 6.459 -8.265 -9.812 1.00 1.40 H new ATOM 0 HB3 GLU A 25 4.737 -8.217 -10.130 1.00 1.40 H new ATOM 0 HG2 GLU A 25 4.495 -6.296 -8.570 1.00 1.26 H new ATOM 0 HG3 GLU A 25 6.214 -6.348 -8.231 1.00 1.26 H new ATOM 373 N GLU A 26 6.652 -10.369 -6.834 1.00 0.78 N ATOM 374 CA GLU A 26 7.742 -10.745 -5.954 1.00 0.95 C ATOM 375 C GLU A 26 9.052 -10.563 -6.720 1.00 1.23 C ATOM 376 O GLU A 26 9.400 -11.376 -7.575 1.00 1.68 O ATOM 377 CB GLU A 26 7.516 -12.182 -5.444 1.00 1.62 C ATOM 378 CG GLU A 26 7.378 -12.194 -3.918 1.00 2.20 C ATOM 379 CD GLU A 26 6.757 -13.503 -3.425 1.00 2.84 C ATOM 380 OE1 GLU A 26 7.352 -14.567 -3.706 1.00 3.03 O ATOM 381 OE2 GLU A 26 5.687 -13.421 -2.782 1.00 3.88 O ATOM 0 H GLU A 26 6.043 -11.146 -7.092 1.00 0.78 H new ATOM 0 HA GLU A 26 7.789 -10.113 -5.067 1.00 0.95 H new ATOM 0 HB2 GLU A 26 6.618 -12.599 -5.900 1.00 1.62 H new ATOM 0 HB3 GLU A 26 8.350 -12.816 -5.745 1.00 1.62 H new ATOM 0 HG2 GLU A 26 8.359 -12.060 -3.461 1.00 2.20 H new ATOM 0 HG3 GLU A 26 6.761 -11.354 -3.600 1.00 2.20 H new ATOM 388 N GLY A 27 9.751 -9.455 -6.463 1.00 1.62 N ATOM 389 CA GLY A 27 10.900 -9.084 -7.272 1.00 2.31 C ATOM 390 C GLY A 27 11.609 -7.848 -6.731 1.00 1.73 C ATOM 391 O GLY A 27 12.829 -7.862 -6.597 1.00 1.95 O ATOM 0 H GLY A 27 9.538 -8.807 -5.705 1.00 1.62 H new ATOM 0 HA2 GLY A 27 11.602 -9.917 -7.307 1.00 2.31 H new ATOM 0 HA3 GLY A 27 10.576 -8.896 -8.296 1.00 2.31 H new ATOM 395 N GLU A 28 10.869 -6.776 -6.433 1.00 1.21 N ATOM 396 CA GLU A 28 11.434 -5.614 -5.770 1.00 0.89 C ATOM 397 C GLU A 28 11.155 -5.736 -4.277 1.00 0.70 C ATOM 398 O GLU A 28 10.641 -6.751 -3.804 1.00 0.94 O ATOM 399 CB GLU A 28 10.818 -4.324 -6.339 1.00 1.18 C ATOM 400 CG GLU A 28 11.769 -3.120 -6.257 1.00 1.70 C ATOM 401 CD GLU A 28 11.161 -1.924 -5.511 1.00 2.55 C ATOM 402 OE1 GLU A 28 10.278 -1.250 -6.085 1.00 3.56 O ATOM 403 OE2 GLU A 28 11.602 -1.692 -4.362 1.00 3.27 O ATOM 0 H GLU A 28 9.874 -6.696 -6.644 1.00 1.21 H new ATOM 0 HA GLU A 28 12.510 -5.568 -5.940 1.00 0.89 H new ATOM 0 HB2 GLU A 28 10.538 -4.489 -7.379 1.00 1.18 H new ATOM 0 HB3 GLU A 28 9.902 -4.094 -5.795 1.00 1.18 H new ATOM 0 HG2 GLU A 28 12.688 -3.424 -5.757 1.00 1.70 H new ATOM 0 HG3 GLU A 28 12.042 -2.811 -7.266 1.00 1.70 H new ATOM 410 N ASP A 29 11.464 -4.675 -3.545 1.00 0.58 N ATOM 411 CA ASP A 29 11.151 -4.582 -2.133 1.00 0.51 C ATOM 412 C ASP A 29 9.760 -3.972 -1.995 1.00 0.50 C ATOM 413 O ASP A 29 9.314 -3.168 -2.814 1.00 0.67 O ATOM 414 CB ASP A 29 12.214 -3.752 -1.394 1.00 0.61 C ATOM 415 CG ASP A 29 13.160 -4.661 -0.612 1.00 1.35 C ATOM 416 OD1 ASP A 29 12.638 -5.370 0.278 1.00 1.87 O ATOM 417 OD2 ASP A 29 14.376 -4.629 -0.899 1.00 2.71 O ATOM 0 H ASP A 29 11.940 -3.854 -3.918 1.00 0.58 H new ATOM 0 HA ASP A 29 11.156 -5.572 -1.677 1.00 0.51 H new ATOM 0 HB2 ASP A 29 12.782 -3.158 -2.110 1.00 0.61 H new ATOM 0 HB3 ASP A 29 11.728 -3.052 -0.714 1.00 0.61 H new ATOM 422 N VAL A 30 9.043 -4.357 -0.947 1.00 0.45 N ATOM 423 CA VAL A 30 7.741 -3.807 -0.641 1.00 0.44 C ATOM 424 C VAL A 30 7.823 -2.973 0.628 1.00 0.49 C ATOM 425 O VAL A 30 8.875 -2.878 1.262 1.00 0.62 O ATOM 426 CB VAL A 30 6.719 -4.931 -0.520 1.00 0.42 C ATOM 427 CG1 VAL A 30 6.418 -5.529 -1.881 1.00 0.45 C ATOM 428 CG2 VAL A 30 7.202 -6.029 0.413 1.00 0.47 C ATOM 0 H VAL A 30 9.357 -5.066 -0.284 1.00 0.45 H new ATOM 0 HA VAL A 30 7.415 -3.152 -1.449 1.00 0.44 H new ATOM 0 HB VAL A 30 5.811 -4.495 -0.103 1.00 0.42 H new ATOM 0 HG11 VAL A 30 5.686 -6.330 -1.773 1.00 0.45 H new ATOM 0 HG12 VAL A 30 6.017 -4.757 -2.537 1.00 0.45 H new ATOM 0 HG13 VAL A 30 7.335 -5.931 -2.313 1.00 0.45 H new ATOM 0 HG21 VAL A 30 6.447 -6.813 0.474 1.00 0.47 H new ATOM 0 HG22 VAL A 30 8.132 -6.450 0.029 1.00 0.47 H new ATOM 0 HG23 VAL A 30 7.374 -5.613 1.406 1.00 0.47 H new ATOM 438 N ARG A 31 6.721 -2.329 1.003 1.00 0.43 N ATOM 439 CA ARG A 31 6.731 -1.488 2.184 1.00 0.52 C ATOM 440 C ARG A 31 5.349 -1.382 2.802 1.00 0.47 C ATOM 441 O ARG A 31 4.352 -1.182 2.114 1.00 0.45 O ATOM 442 CB ARG A 31 7.299 -0.110 1.844 1.00 0.57 C ATOM 443 CG ARG A 31 8.201 0.442 2.946 1.00 0.73 C ATOM 444 CD ARG A 31 9.519 -0.343 2.945 1.00 1.50 C ATOM 445 NE ARG A 31 10.553 0.332 3.745 1.00 1.91 N ATOM 446 CZ ARG A 31 10.664 0.295 5.079 1.00 2.38 C ATOM 447 NH1 ARG A 31 9.820 -0.440 5.802 1.00 3.49 N ATOM 448 NH2 ARG A 31 11.619 0.998 5.688 1.00 2.71 N ATOM 0 H ARG A 31 5.828 -2.375 0.513 1.00 0.43 H new ATOM 0 HA ARG A 31 7.377 -1.951 2.930 1.00 0.52 H new ATOM 0 HB2 ARG A 31 7.865 -0.174 0.914 1.00 0.57 H new ATOM 0 HB3 ARG A 31 6.477 0.585 1.670 1.00 0.57 H new ATOM 0 HG2 ARG A 31 8.393 1.502 2.781 1.00 0.73 H new ATOM 0 HG3 ARG A 31 7.710 0.354 3.915 1.00 0.73 H new ATOM 0 HD2 ARG A 31 9.347 -1.344 3.341 1.00 1.50 H new ATOM 0 HD3 ARG A 31 9.871 -0.462 1.920 1.00 1.50 H new ATOM 0 HE ARG A 31 11.249 0.878 3.237 1.00 1.91 H new ATOM 0 HH11 ARG A 31 9.086 -0.977 5.340 1.00 3.49 H new ATOM 0 HH12 ARG A 31 9.908 -0.466 6.818 1.00 3.49 H new ATOM 0 HH21 ARG A 31 12.265 1.564 5.138 1.00 2.71 H new ATOM 0 HH22 ARG A 31 11.704 0.970 6.704 1.00 2.71 H new ATOM 462 N ARG A 32 5.289 -1.547 4.121 1.00 0.61 N ATOM 463 CA ARG A 32 4.041 -1.503 4.852 1.00 0.72 C ATOM 464 C ARG A 32 3.712 -0.040 5.130 1.00 0.56 C ATOM 465 O ARG A 32 4.621 0.712 5.482 1.00 0.54 O ATOM 466 CB ARG A 32 4.193 -2.377 6.107 1.00 1.14 C ATOM 467 CG ARG A 32 2.858 -2.971 6.555 1.00 1.46 C ATOM 468 CD ARG A 32 3.049 -4.126 7.540 1.00 1.84 C ATOM 469 NE ARG A 32 3.632 -5.336 6.939 1.00 3.10 N ATOM 470 CZ ARG A 32 4.004 -6.406 7.654 1.00 3.79 C ATOM 471 NH1 ARG A 32 3.920 -6.380 8.984 1.00 3.62 N ATOM 472 NH2 ARG A 32 4.485 -7.492 7.054 1.00 5.53 N ATOM 0 H ARG A 32 6.108 -1.714 4.706 1.00 0.61 H new ATOM 0 HA ARG A 32 3.198 -1.910 4.294 1.00 0.72 H new ATOM 0 HB2 ARG A 32 4.899 -3.183 5.905 1.00 1.14 H new ATOM 0 HB3 ARG A 32 4.614 -1.780 6.916 1.00 1.14 H new ATOM 0 HG2 ARG A 32 2.253 -2.193 7.021 1.00 1.46 H new ATOM 0 HG3 ARG A 32 2.307 -3.325 5.683 1.00 1.46 H new ATOM 0 HD2 ARG A 32 3.691 -3.792 8.355 1.00 1.84 H new ATOM 0 HD3 ARG A 32 2.084 -4.380 7.978 1.00 1.84 H new ATOM 0 HE ARG A 32 3.759 -5.361 5.927 1.00 3.10 H new ATOM 0 HH11 ARG A 32 3.573 -5.546 9.457 1.00 3.62 H new ATOM 0 HH12 ARG A 32 4.203 -7.194 9.529 1.00 3.62 H new ATOM 0 HH21 ARG A 32 4.574 -7.516 6.038 1.00 5.53 H new ATOM 0 HH22 ARG A 32 4.765 -8.300 7.610 1.00 5.53 H new ATOM 486 N LEU A 33 2.461 0.395 4.931 1.00 0.55 N ATOM 487 CA LEU A 33 2.118 1.767 5.287 1.00 0.56 C ATOM 488 C LEU A 33 2.165 1.855 6.809 1.00 0.59 C ATOM 489 O LEU A 33 1.935 0.847 7.479 1.00 0.70 O ATOM 490 CB LEU A 33 0.741 2.247 4.795 1.00 0.63 C ATOM 491 CG LEU A 33 0.271 1.713 3.447 1.00 0.72 C ATOM 492 CD1 LEU A 33 -0.637 0.492 3.605 1.00 1.10 C ATOM 493 CD2 LEU A 33 -0.464 2.805 2.668 1.00 1.03 C ATOM 0 H LEU A 33 1.700 -0.162 4.541 1.00 0.55 H new ATOM 0 HA LEU A 33 2.836 2.420 4.791 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -0.002 1.977 5.546 1.00 0.63 H new ATOM 0 HB3 LEU A 33 0.759 3.336 4.742 1.00 0.63 H new ATOM 0 HG LEU A 33 1.158 1.405 2.893 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.950 0.142 2.621 1.00 1.10 H new ATOM 0 HD12 LEU A 33 -0.093 -0.302 4.117 1.00 1.10 H new ATOM 0 HD13 LEU A 33 -1.515 0.765 4.190 1.00 1.10 H new ATOM 0 HD21 LEU A 33 -0.793 2.408 1.708 1.00 1.03 H new ATOM 0 HD22 LEU A 33 -1.330 3.139 3.239 1.00 1.03 H new ATOM 0 HD23 LEU A 33 0.207 3.648 2.501 1.00 1.03 H new ATOM 505 N PRO A 34 2.391 3.043 7.381 1.00 0.71 N ATOM 506 CA PRO A 34 2.489 3.173 8.819 1.00 0.91 C ATOM 507 C PRO A 34 1.200 2.792 9.560 1.00 0.83 C ATOM 508 O PRO A 34 1.250 2.636 10.775 1.00 1.03 O ATOM 509 CB PRO A 34 2.929 4.613 9.104 1.00 1.12 C ATOM 510 CG PRO A 34 3.053 5.315 7.745 1.00 1.09 C ATOM 511 CD PRO A 34 2.595 4.305 6.693 1.00 0.84 C ATOM 0 HA PRO A 34 3.221 2.463 9.203 1.00 0.91 H new ATOM 0 HB2 PRO A 34 2.202 5.121 9.737 1.00 1.12 H new ATOM 0 HB3 PRO A 34 3.880 4.629 9.636 1.00 1.12 H new ATOM 0 HG2 PRO A 34 2.437 6.214 7.715 1.00 1.09 H new ATOM 0 HG3 PRO A 34 4.081 5.627 7.562 1.00 1.09 H new ATOM 0 HD2 PRO A 34 1.674 4.637 6.214 1.00 0.84 H new ATOM 0 HD3 PRO A 34 3.343 4.200 5.907 1.00 0.84 H new ATOM 519 N CYS A 35 0.056 2.642 8.873 1.00 0.65 N ATOM 520 CA CYS A 35 -1.175 2.256 9.544 1.00 0.75 C ATOM 521 C CYS A 35 -1.069 0.816 10.052 1.00 0.87 C ATOM 522 O CYS A 35 -1.426 0.560 11.197 1.00 1.20 O ATOM 523 CB CYS A 35 -2.400 2.452 8.628 1.00 0.79 C ATOM 524 SG CYS A 35 -2.476 1.370 7.167 1.00 1.71 S ATOM 0 H CYS A 35 -0.033 2.782 7.867 1.00 0.65 H new ATOM 0 HA CYS A 35 -1.320 2.908 10.405 1.00 0.75 H new ATOM 0 HB2 CYS A 35 -3.302 2.296 9.220 1.00 0.79 H new ATOM 0 HB3 CYS A 35 -2.416 3.488 8.291 1.00 0.79 H new ATOM 529 N MET A 36 -0.624 -0.110 9.188 1.00 0.72 N ATOM 530 CA MET A 36 -0.532 -1.552 9.391 1.00 0.90 C ATOM 531 C MET A 36 -0.571 -2.311 8.065 1.00 0.76 C ATOM 532 O MET A 36 0.155 -3.278 7.906 1.00 0.85 O ATOM 533 CB MET A 36 -1.628 -2.098 10.313 1.00 1.10 C ATOM 534 CG MET A 36 -1.071 -2.355 11.715 1.00 2.36 C ATOM 535 SD MET A 36 -0.008 -3.821 11.807 1.00 4.42 S ATOM 536 CE MET A 36 0.771 -3.513 13.411 1.00 5.79 C ATOM 0 H MET A 36 -0.296 0.158 8.260 1.00 0.72 H new ATOM 0 HA MET A 36 0.430 -1.714 9.876 1.00 0.90 H new ATOM 0 HB2 MET A 36 -2.453 -1.387 10.368 1.00 1.10 H new ATOM 0 HB3 MET A 36 -2.031 -3.023 9.900 1.00 1.10 H new ATOM 0 HG2 MET A 36 -0.503 -1.482 12.038 1.00 2.36 H new ATOM 0 HG3 MET A 36 -1.901 -2.472 12.412 1.00 2.36 H new ATOM 0 HE1 MET A 36 1.466 -4.321 13.639 1.00 5.79 H new ATOM 0 HE2 MET A 36 1.312 -2.567 13.377 1.00 5.79 H new ATOM 0 HE3 MET A 36 0.005 -3.465 14.184 1.00 5.79 H new ATOM 546 N HIS A 37 -1.455 -1.945 7.138 1.00 0.64 N ATOM 547 CA HIS A 37 -1.643 -2.666 5.882 1.00 0.59 C ATOM 548 C HIS A 37 -0.375 -2.619 5.008 1.00 0.51 C ATOM 549 O HIS A 37 0.447 -1.721 5.184 1.00 0.65 O ATOM 550 CB HIS A 37 -2.893 -2.064 5.221 1.00 0.60 C ATOM 551 CG HIS A 37 -4.146 -2.153 6.099 1.00 0.81 C ATOM 552 ND1 HIS A 37 -4.853 -1.124 6.752 1.00 0.80 N ATOM 553 CD2 HIS A 37 -4.743 -3.333 6.445 1.00 1.17 C ATOM 554 CE1 HIS A 37 -5.836 -1.722 7.437 1.00 1.11 C ATOM 555 NE2 HIS A 37 -5.799 -3.050 7.276 1.00 1.34 N ATOM 0 H HIS A 37 -2.065 -1.134 7.239 1.00 0.64 H new ATOM 0 HA HIS A 37 -1.804 -3.732 6.042 1.00 0.59 H new ATOM 0 HB2 HIS A 37 -2.700 -1.019 4.980 1.00 0.60 H new ATOM 0 HB3 HIS A 37 -3.081 -2.579 4.279 1.00 0.60 H new ATOM 0 HD2 HIS A 37 -4.437 -4.317 6.121 1.00 1.17 H new ATOM 0 HE1 HIS A 37 -6.564 -1.200 8.041 1.00 1.11 H new ATOM 0 HE2 HIS A 37 -6.437 -3.727 7.694 1.00 1.34 H new ATOM 563 N LEU A 38 -0.189 -3.555 4.064 1.00 0.39 N ATOM 564 CA LEU A 38 1.040 -3.638 3.250 1.00 0.35 C ATOM 565 C LEU A 38 0.759 -3.332 1.784 1.00 0.28 C ATOM 566 O LEU A 38 -0.327 -3.631 1.297 1.00 0.29 O ATOM 567 CB LEU A 38 1.649 -5.036 3.392 1.00 0.39 C ATOM 568 CG LEU A 38 2.904 -5.479 2.600 1.00 0.57 C ATOM 569 CD1 LEU A 38 2.628 -5.803 1.127 1.00 2.84 C ATOM 570 CD2 LEU A 38 4.102 -4.554 2.790 1.00 2.21 C ATOM 0 H LEU A 38 -0.879 -4.272 3.842 1.00 0.39 H new ATOM 0 HA LEU A 38 1.746 -2.891 3.613 1.00 0.35 H new ATOM 0 HB2 LEU A 38 1.883 -5.169 4.448 1.00 0.39 H new ATOM 0 HB3 LEU A 38 0.859 -5.747 3.149 1.00 0.39 H new ATOM 0 HG LEU A 38 3.190 -6.428 3.053 1.00 0.57 H new ATOM 0 HD11 LEU A 38 3.556 -6.105 0.641 1.00 2.84 H new ATOM 0 HD12 LEU A 38 1.904 -6.615 1.063 1.00 2.84 H new ATOM 0 HD13 LEU A 38 2.228 -4.920 0.629 1.00 2.84 H new ATOM 0 HD21 LEU A 38 4.944 -4.925 2.207 1.00 2.21 H new ATOM 0 HD22 LEU A 38 3.843 -3.550 2.455 1.00 2.21 H new ATOM 0 HD23 LEU A 38 4.376 -4.525 3.845 1.00 2.21 H new ATOM 582 N PHE A 39 1.754 -2.786 1.078 1.00 0.27 N ATOM 583 CA PHE A 39 1.724 -2.580 -0.369 1.00 0.24 C ATOM 584 C PHE A 39 3.120 -2.653 -0.978 1.00 0.26 C ATOM 585 O PHE A 39 4.108 -2.847 -0.280 1.00 0.39 O ATOM 586 CB PHE A 39 1.080 -1.224 -0.694 1.00 0.23 C ATOM 587 CG PHE A 39 -0.419 -1.313 -0.635 1.00 0.23 C ATOM 588 CD1 PHE A 39 -1.081 -2.185 -1.513 1.00 1.49 C ATOM 589 CD2 PHE A 39 -1.132 -0.647 0.369 1.00 1.36 C ATOM 590 CE1 PHE A 39 -2.458 -2.405 -1.383 1.00 1.54 C ATOM 591 CE2 PHE A 39 -2.509 -0.871 0.505 1.00 1.34 C ATOM 592 CZ PHE A 39 -3.176 -1.721 -0.397 1.00 0.37 C ATOM 0 H PHE A 39 2.622 -2.468 1.509 1.00 0.27 H new ATOM 0 HA PHE A 39 1.128 -3.381 -0.806 1.00 0.24 H new ATOM 0 HB2 PHE A 39 1.431 -0.472 0.012 1.00 0.23 H new ATOM 0 HB3 PHE A 39 1.390 -0.899 -1.687 1.00 0.23 H new ATOM 0 HD1 PHE A 39 -0.527 -2.688 -2.292 1.00 1.49 H new ATOM 0 HD2 PHE A 39 -0.624 0.035 1.035 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -2.962 -3.098 -2.040 1.00 1.54 H new ATOM 0 HE2 PHE A 39 -3.058 -0.391 1.302 1.00 1.34 H new ATOM 0 HZ PHE A 39 -4.247 -1.845 -0.327 1.00 0.37 H new ATOM 602 N HIS A 40 3.200 -2.484 -2.299 1.00 0.24 N ATOM 603 CA HIS A 40 4.442 -2.174 -3.000 1.00 0.40 C ATOM 604 C HIS A 40 5.097 -0.972 -2.336 1.00 0.38 C ATOM 605 O HIS A 40 4.416 -0.001 -2.027 1.00 0.34 O ATOM 606 CB HIS A 40 4.132 -1.779 -4.443 1.00 0.59 C ATOM 607 CG HIS A 40 4.166 -2.808 -5.525 1.00 0.54 C ATOM 608 ND1 HIS A 40 3.193 -2.832 -6.518 1.00 0.56 N ATOM 609 CD2 HIS A 40 5.251 -3.539 -5.915 1.00 0.68 C ATOM 610 CE1 HIS A 40 3.703 -3.587 -7.503 1.00 0.74 C ATOM 611 NE2 HIS A 40 4.926 -4.032 -7.161 1.00 0.84 N ATOM 0 H HIS A 40 2.393 -2.560 -2.918 1.00 0.24 H new ATOM 0 HA HIS A 40 5.093 -3.048 -2.971 1.00 0.40 H new ATOM 0 HB2 HIS A 40 3.137 -1.334 -4.450 1.00 0.59 H new ATOM 0 HB3 HIS A 40 4.834 -0.993 -4.721 1.00 0.59 H new ATOM 0 HD2 HIS A 40 6.167 -3.697 -5.366 1.00 0.68 H new ATOM 0 HE1 HIS A 40 3.204 -3.806 -8.435 1.00 0.74 H new ATOM 0 HE2 HIS A 40 5.517 -4.636 -7.731 1.00 0.84 H new ATOM 619 N GLN A 41 6.421 -0.991 -2.219 1.00 0.42 N ATOM 620 CA GLN A 41 7.200 0.140 -1.744 1.00 0.42 C ATOM 621 C GLN A 41 6.982 1.331 -2.652 1.00 0.39 C ATOM 622 O GLN A 41 6.465 2.359 -2.227 1.00 0.34 O ATOM 623 CB GLN A 41 8.680 -0.278 -1.671 1.00 0.50 C ATOM 624 CG GLN A 41 9.652 0.832 -1.253 1.00 0.65 C ATOM 625 CD GLN A 41 10.246 1.577 -2.446 1.00 1.63 C ATOM 626 OE1 GLN A 41 10.094 2.786 -2.559 1.00 2.59 O ATOM 627 NE2 GLN A 41 10.924 0.888 -3.355 1.00 2.39 N ATOM 0 H GLN A 41 6.988 -1.805 -2.456 1.00 0.42 H new ATOM 0 HA GLN A 41 6.881 0.438 -0.745 1.00 0.42 H new ATOM 0 HB2 GLN A 41 8.773 -1.105 -0.967 1.00 0.50 H new ATOM 0 HB3 GLN A 41 8.983 -0.656 -2.648 1.00 0.50 H new ATOM 0 HG2 GLN A 41 9.131 1.541 -0.610 1.00 0.65 H new ATOM 0 HG3 GLN A 41 10.459 0.399 -0.662 1.00 0.65 H new ATOM 0 HE21 GLN A 41 11.043 -0.119 -3.247 1.00 2.39 H new ATOM 0 HE22 GLN A 41 11.327 1.366 -4.161 1.00 2.39 H new ATOM 636 N VAL A 42 7.319 1.163 -3.924 1.00 0.43 N ATOM 637 CA VAL A 42 7.196 2.255 -4.884 1.00 0.44 C ATOM 638 C VAL A 42 5.763 2.781 -4.951 1.00 0.39 C ATOM 639 O VAL A 42 5.529 3.948 -5.265 1.00 0.41 O ATOM 640 CB VAL A 42 7.739 1.793 -6.246 1.00 0.52 C ATOM 641 CG1 VAL A 42 6.664 1.325 -7.237 1.00 0.55 C ATOM 642 CG2 VAL A 42 8.582 2.900 -6.882 1.00 0.60 C ATOM 0 H VAL A 42 7.676 0.291 -4.313 1.00 0.43 H new ATOM 0 HA VAL A 42 7.798 3.103 -4.557 1.00 0.44 H new ATOM 0 HB VAL A 42 8.351 0.917 -6.032 1.00 0.52 H new ATOM 0 HG11 VAL A 42 7.138 1.018 -8.169 1.00 0.55 H new ATOM 0 HG12 VAL A 42 6.119 0.482 -6.812 1.00 0.55 H new ATOM 0 HG13 VAL A 42 5.971 2.142 -7.434 1.00 0.55 H new ATOM 0 HG21 VAL A 42 8.961 2.561 -7.846 1.00 0.60 H new ATOM 0 HG22 VAL A 42 7.967 3.788 -7.026 1.00 0.60 H new ATOM 0 HG23 VAL A 42 9.420 3.141 -6.228 1.00 0.60 H new ATOM 652 N CYS A 43 4.792 1.918 -4.646 1.00 0.37 N ATOM 653 CA CYS A 43 3.408 2.352 -4.699 1.00 0.36 C ATOM 654 C CYS A 43 3.060 3.131 -3.447 1.00 0.31 C ATOM 655 O CYS A 43 2.255 4.046 -3.530 1.00 0.33 O ATOM 656 CB CYS A 43 2.475 1.163 -4.695 1.00 0.37 C ATOM 657 SG CYS A 43 2.425 0.392 -6.347 1.00 0.40 S ATOM 0 H CYS A 43 4.937 0.947 -4.369 1.00 0.37 H new ATOM 0 HA CYS A 43 3.297 2.950 -5.604 1.00 0.36 H new ATOM 0 HB2 CYS A 43 2.807 0.434 -3.956 1.00 0.37 H new ATOM 0 HB3 CYS A 43 1.473 1.479 -4.403 1.00 0.37 H new ATOM 662 N VAL A 44 3.573 2.750 -2.277 1.00 0.30 N ATOM 663 CA VAL A 44 3.250 3.438 -1.044 1.00 0.27 C ATOM 664 C VAL A 44 3.651 4.899 -1.177 1.00 0.28 C ATOM 665 O VAL A 44 3.035 5.767 -0.568 1.00 0.25 O ATOM 666 CB VAL A 44 3.938 2.721 0.130 1.00 0.30 C ATOM 667 CG1 VAL A 44 5.203 3.405 0.650 1.00 0.34 C ATOM 668 CG2 VAL A 44 2.937 2.557 1.267 1.00 0.30 C ATOM 0 H VAL A 44 4.215 1.965 -2.166 1.00 0.30 H new ATOM 0 HA VAL A 44 2.179 3.416 -0.843 1.00 0.27 H new ATOM 0 HB VAL A 44 4.269 1.757 -0.256 1.00 0.30 H new ATOM 0 HG11 VAL A 44 5.616 2.826 1.476 1.00 0.34 H new ATOM 0 HG12 VAL A 44 5.938 3.468 -0.152 1.00 0.34 H new ATOM 0 HG13 VAL A 44 4.957 4.409 0.997 1.00 0.34 H new ATOM 0 HG21 VAL A 44 3.417 2.049 2.104 1.00 0.30 H new ATOM 0 HG22 VAL A 44 2.589 3.538 1.589 1.00 0.30 H new ATOM 0 HG23 VAL A 44 2.088 1.966 0.922 1.00 0.30 H new ATOM 678 N ASP A 45 4.682 5.146 -1.987 1.00 0.33 N ATOM 679 CA ASP A 45 5.181 6.489 -2.240 1.00 0.37 C ATOM 680 C ASP A 45 4.191 7.268 -3.101 1.00 0.39 C ATOM 681 O ASP A 45 3.551 8.198 -2.616 1.00 0.39 O ATOM 682 CB ASP A 45 6.564 6.436 -2.891 1.00 0.45 C ATOM 683 CG ASP A 45 7.044 7.857 -3.170 1.00 0.62 C ATOM 684 OD1 ASP A 45 7.066 8.642 -2.198 1.00 1.86 O ATOM 685 OD2 ASP A 45 7.327 8.146 -4.353 1.00 1.48 O ATOM 0 H ASP A 45 5.192 4.416 -2.484 1.00 0.33 H new ATOM 0 HA ASP A 45 5.283 7.011 -1.288 1.00 0.37 H new ATOM 0 HB2 ASP A 45 7.268 5.924 -2.235 1.00 0.45 H new ATOM 0 HB3 ASP A 45 6.520 5.866 -3.819 1.00 0.45 H new ATOM 690 N GLN A 46 3.996 6.878 -4.365 1.00 0.44 N ATOM 691 CA GLN A 46 3.059 7.593 -5.233 1.00 0.53 C ATOM 692 C GLN A 46 1.644 7.636 -4.640 1.00 0.49 C ATOM 693 O GLN A 46 0.851 8.532 -4.935 1.00 0.59 O ATOM 694 CB GLN A 46 3.031 6.974 -6.634 1.00 0.62 C ATOM 695 CG GLN A 46 4.373 7.146 -7.361 1.00 1.21 C ATOM 696 CD GLN A 46 4.154 7.542 -8.819 1.00 1.67 C ATOM 697 OE1 GLN A 46 3.645 6.768 -9.619 1.00 1.53 O ATOM 698 NE2 GLN A 46 4.509 8.767 -9.190 1.00 3.11 N ATOM 0 H GLN A 46 4.466 6.085 -4.803 1.00 0.44 H new ATOM 0 HA GLN A 46 3.416 8.620 -5.310 1.00 0.53 H new ATOM 0 HB2 GLN A 46 2.792 5.913 -6.558 1.00 0.62 H new ATOM 0 HB3 GLN A 46 2.238 7.438 -7.220 1.00 0.62 H new ATOM 0 HG2 GLN A 46 4.969 7.908 -6.858 1.00 1.21 H new ATOM 0 HG3 GLN A 46 4.939 6.216 -7.313 1.00 1.21 H new ATOM 0 HE21 GLN A 46 4.932 9.402 -8.513 1.00 3.11 H new ATOM 0 HE22 GLN A 46 4.358 9.072 -10.151 1.00 3.11 H new ATOM 707 N TRP A 47 1.310 6.672 -3.788 1.00 0.39 N ATOM 708 CA TRP A 47 0.063 6.673 -3.063 1.00 0.39 C ATOM 709 C TRP A 47 0.030 7.816 -2.071 1.00 0.40 C ATOM 710 O TRP A 47 -0.859 8.649 -2.139 1.00 0.46 O ATOM 711 CB TRP A 47 -0.163 5.348 -2.354 1.00 0.36 C ATOM 712 CG TRP A 47 -1.524 5.261 -1.762 1.00 0.38 C ATOM 713 CD1 TRP A 47 -1.820 5.024 -0.466 1.00 0.39 C ATOM 714 CD2 TRP A 47 -2.795 5.446 -2.450 1.00 0.42 C ATOM 715 NE1 TRP A 47 -3.190 5.010 -0.317 1.00 0.43 N ATOM 716 CE2 TRP A 47 -3.834 5.199 -1.517 1.00 0.44 C ATOM 717 CE3 TRP A 47 -3.183 5.760 -3.770 1.00 0.47 C ATOM 718 CZ2 TRP A 47 -5.181 5.177 -1.888 1.00 0.49 C ATOM 719 CZ3 TRP A 47 -4.537 5.830 -4.134 1.00 0.54 C ATOM 720 CH2 TRP A 47 -5.541 5.507 -3.204 1.00 0.55 C ATOM 0 H TRP A 47 1.905 5.869 -3.586 1.00 0.39 H new ATOM 0 HA TRP A 47 -0.744 6.810 -3.783 1.00 0.39 H new ATOM 0 HB2 TRP A 47 -0.021 4.530 -3.060 1.00 0.36 H new ATOM 0 HB3 TRP A 47 0.583 5.224 -1.569 1.00 0.36 H new ATOM 0 HD1 TRP A 47 -1.101 4.870 0.325 1.00 0.39 H new ATOM 0 HE1 TRP A 47 -3.668 4.876 0.574 1.00 0.43 H new ATOM 0 HE3 TRP A 47 -2.424 5.950 -4.514 1.00 0.47 H new ATOM 0 HZ2 TRP A 47 -5.939 4.908 -1.168 1.00 0.49 H new ATOM 0 HZ3 TRP A 47 -4.809 6.134 -5.134 1.00 0.54 H new ATOM 0 HH2 TRP A 47 -6.580 5.513 -3.500 1.00 0.55 H new ATOM 731 N LEU A 48 1.006 7.888 -1.173 1.00 0.35 N ATOM 732 CA LEU A 48 1.174 8.997 -0.258 1.00 0.34 C ATOM 733 C LEU A 48 1.099 10.350 -0.971 1.00 0.41 C ATOM 734 O LEU A 48 0.551 11.295 -0.411 1.00 0.49 O ATOM 735 CB LEU A 48 2.497 8.805 0.494 1.00 0.27 C ATOM 736 CG LEU A 48 2.321 8.109 1.852 1.00 0.32 C ATOM 737 CD1 LEU A 48 3.686 8.009 2.532 1.00 0.41 C ATOM 738 CD2 LEU A 48 1.386 8.893 2.778 1.00 0.47 C ATOM 0 H LEU A 48 1.713 7.161 -1.063 1.00 0.35 H new ATOM 0 HA LEU A 48 0.352 9.006 0.458 1.00 0.34 H new ATOM 0 HB2 LEU A 48 3.177 8.218 -0.123 1.00 0.27 H new ATOM 0 HB3 LEU A 48 2.965 9.777 0.648 1.00 0.27 H new ATOM 0 HG LEU A 48 1.887 7.126 1.671 1.00 0.32 H new ATOM 0 HD11 LEU A 48 3.576 7.516 3.498 1.00 0.41 H new ATOM 0 HD12 LEU A 48 4.364 7.430 1.905 1.00 0.41 H new ATOM 0 HD13 LEU A 48 4.093 9.009 2.679 1.00 0.41 H new ATOM 0 HD21 LEU A 48 1.289 8.366 3.727 1.00 0.47 H new ATOM 0 HD22 LEU A 48 1.798 9.887 2.955 1.00 0.47 H new ATOM 0 HD23 LEU A 48 0.405 8.985 2.312 1.00 0.47 H new ATOM 750 N ILE A 49 1.630 10.459 -2.192 1.00 0.42 N ATOM 751 CA ILE A 49 1.519 11.659 -3.005 1.00 0.50 C ATOM 752 C ILE A 49 0.055 11.940 -3.378 1.00 0.53 C ATOM 753 O ILE A 49 -0.361 13.096 -3.374 1.00 0.69 O ATOM 754 CB ILE A 49 2.419 11.518 -4.243 1.00 0.51 C ATOM 755 CG1 ILE A 49 3.893 11.326 -3.870 1.00 0.60 C ATOM 756 CG2 ILE A 49 2.244 12.692 -5.210 1.00 0.63 C ATOM 757 CD1 ILE A 49 4.536 12.585 -3.318 1.00 0.80 C ATOM 0 H ILE A 49 2.152 9.707 -2.642 1.00 0.42 H new ATOM 0 HA ILE A 49 1.860 12.521 -2.431 1.00 0.50 H new ATOM 0 HB ILE A 49 2.096 10.613 -4.758 1.00 0.51 H new ATOM 0 HG12 ILE A 49 3.974 10.530 -3.130 1.00 0.60 H new ATOM 0 HG13 ILE A 49 4.445 11.000 -4.751 1.00 0.60 H new ATOM 0 HG21 ILE A 49 2.897 12.554 -6.072 1.00 0.63 H new ATOM 0 HG22 ILE A 49 1.207 12.737 -5.544 1.00 0.63 H new ATOM 0 HG23 ILE A 49 2.502 13.622 -4.704 1.00 0.63 H new ATOM 0 HD11 ILE A 49 5.579 12.384 -3.073 1.00 0.80 H new ATOM 0 HD12 ILE A 49 4.485 13.377 -4.065 1.00 0.80 H new ATOM 0 HD13 ILE A 49 4.006 12.900 -2.419 1.00 0.80 H new ATOM 769 N THR A 50 -0.722 10.920 -3.749 1.00 0.52 N ATOM 770 CA THR A 50 -2.116 11.092 -4.141 1.00 0.66 C ATOM 771 C THR A 50 -3.030 11.089 -2.908 1.00 0.52 C ATOM 772 O THR A 50 -3.571 12.126 -2.531 1.00 0.57 O ATOM 773 CB THR A 50 -2.513 10.023 -5.171 1.00 0.88 C ATOM 774 OG1 THR A 50 -2.106 8.732 -4.771 1.00 2.03 O ATOM 775 CG2 THR A 50 -1.875 10.311 -6.531 1.00 1.58 C ATOM 0 H THR A 50 -0.399 9.953 -3.785 1.00 0.52 H new ATOM 0 HA THR A 50 -2.238 12.064 -4.620 1.00 0.66 H new ATOM 0 HB THR A 50 -3.600 10.058 -5.244 1.00 0.88 H new ATOM 0 HG1 THR A 50 -1.152 8.616 -4.961 1.00 2.03 H new ATOM 0 HG21 THR A 50 -2.171 9.540 -7.242 1.00 1.58 H new ATOM 0 HG22 THR A 50 -2.209 11.284 -6.891 1.00 1.58 H new ATOM 0 HG23 THR A 50 -0.790 10.314 -6.430 1.00 1.58 H new ATOM 783 N ASN A 51 -3.241 9.933 -2.279 1.00 0.47 N ATOM 784 CA ASN A 51 -4.050 9.810 -1.079 1.00 0.42 C ATOM 785 C ASN A 51 -3.175 9.669 0.162 1.00 0.49 C ATOM 786 O ASN A 51 -2.614 8.611 0.430 1.00 1.10 O ATOM 787 CB ASN A 51 -4.968 8.594 -1.203 1.00 0.80 C ATOM 788 CG ASN A 51 -6.263 8.974 -1.896 1.00 1.91 C ATOM 789 OD1 ASN A 51 -7.159 9.541 -1.271 1.00 2.95 O ATOM 790 ND2 ASN A 51 -6.359 8.701 -3.190 1.00 2.77 N ATOM 0 H ASN A 51 -2.847 9.048 -2.597 1.00 0.47 H new ATOM 0 HA ASN A 51 -4.648 10.715 -0.974 1.00 0.42 H new ATOM 0 HB2 ASN A 51 -4.465 7.807 -1.765 1.00 0.80 H new ATOM 0 HB3 ASN A 51 -5.183 8.191 -0.213 1.00 0.80 H new ATOM 0 HD21 ASN A 51 -7.199 8.963 -3.705 1.00 2.77 H new ATOM 0 HD22 ASN A 51 -5.592 8.229 -3.670 1.00 2.77 H new ATOM 797 N LYS A 52 -3.182 10.690 1.019 1.00 0.44 N ATOM 798 CA LYS A 52 -2.583 10.639 2.355 1.00 0.56 C ATOM 799 C LYS A 52 -3.397 9.788 3.350 1.00 0.50 C ATOM 800 O LYS A 52 -3.219 9.929 4.558 1.00 0.57 O ATOM 801 CB LYS A 52 -2.396 12.087 2.859 1.00 0.80 C ATOM 802 CG LYS A 52 -0.939 12.551 2.730 1.00 1.81 C ATOM 803 CD LYS A 52 -0.082 12.088 3.918 1.00 3.33 C ATOM 804 CE LYS A 52 1.304 12.756 3.841 1.00 4.35 C ATOM 805 NZ LYS A 52 2.103 12.564 5.076 1.00 6.12 N ATOM 0 H LYS A 52 -3.610 11.590 0.802 1.00 0.44 H new ATOM 0 HA LYS A 52 -1.616 10.141 2.284 1.00 0.56 H new ATOM 0 HB2 LYS A 52 -3.042 12.756 2.291 1.00 0.80 H new ATOM 0 HB3 LYS A 52 -2.707 12.152 3.902 1.00 0.80 H new ATOM 0 HG2 LYS A 52 -0.515 12.163 1.804 1.00 1.81 H new ATOM 0 HG3 LYS A 52 -0.909 13.639 2.663 1.00 1.81 H new ATOM 0 HD2 LYS A 52 -0.571 12.348 4.857 1.00 3.33 H new ATOM 0 HD3 LYS A 52 0.024 11.003 3.903 1.00 3.33 H new ATOM 0 HE2 LYS A 52 1.852 12.348 2.992 1.00 4.35 H new ATOM 0 HE3 LYS A 52 1.179 13.823 3.657 1.00 4.35 H new ATOM 0 HZ1 LYS A 52 2.557 13.462 5.339 1.00 6.12 H new ATOM 0 HZ2 LYS A 52 1.480 12.252 5.848 1.00 6.12 H new ATOM 0 HZ3 LYS A 52 2.834 11.843 4.908 1.00 6.12 H new ATOM 819 N LYS A 53 -4.269 8.885 2.889 1.00 0.45 N ATOM 820 CA LYS A 53 -5.072 8.026 3.746 1.00 0.46 C ATOM 821 C LYS A 53 -4.890 6.595 3.290 1.00 0.47 C ATOM 822 O LYS A 53 -4.449 6.328 2.170 1.00 0.53 O ATOM 823 CB LYS A 53 -6.557 8.409 3.708 1.00 0.55 C ATOM 824 CG LYS A 53 -6.797 9.835 4.217 1.00 0.68 C ATOM 825 CD LYS A 53 -6.996 10.858 3.098 1.00 1.47 C ATOM 826 CE LYS A 53 -8.352 10.624 2.427 1.00 1.70 C ATOM 827 NZ LYS A 53 -8.600 11.596 1.342 1.00 2.90 N ATOM 0 H LYS A 53 -4.434 8.733 1.894 1.00 0.45 H new ATOM 0 HA LYS A 53 -4.739 8.145 4.777 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -6.928 8.322 2.687 1.00 0.55 H new ATOM 0 HB3 LYS A 53 -7.128 7.707 4.315 1.00 0.55 H new ATOM 0 HG2 LYS A 53 -7.676 9.839 4.862 1.00 0.68 H new ATOM 0 HG3 LYS A 53 -5.950 10.140 4.831 1.00 0.68 H new ATOM 0 HD2 LYS A 53 -6.948 11.869 3.502 1.00 1.47 H new ATOM 0 HD3 LYS A 53 -6.195 10.770 2.364 1.00 1.47 H new ATOM 0 HE2 LYS A 53 -8.389 9.612 2.024 1.00 1.70 H new ATOM 0 HE3 LYS A 53 -9.144 10.700 3.172 1.00 1.70 H new ATOM 0 HZ1 LYS A 53 -9.527 11.406 0.911 1.00 2.90 H new ATOM 0 HZ2 LYS A 53 -8.590 12.560 1.731 1.00 2.90 H new ATOM 0 HZ3 LYS A 53 -7.858 11.506 0.619 1.00 2.90 H new ATOM 841 N CYS A 54 -5.236 5.669 4.172 1.00 0.45 N ATOM 842 CA CYS A 54 -5.046 4.263 3.879 1.00 0.44 C ATOM 843 C CYS A 54 -6.055 3.879 2.795 1.00 0.46 C ATOM 844 O CYS A 54 -7.212 4.270 2.909 1.00 0.53 O ATOM 845 CB CYS A 54 -5.349 3.511 5.163 1.00 0.53 C ATOM 846 SG CYS A 54 -5.075 1.731 4.941 1.00 0.60 S ATOM 0 H CYS A 54 -5.645 5.866 5.085 1.00 0.45 H new ATOM 0 HA CYS A 54 -4.038 4.035 3.534 1.00 0.44 H new ATOM 0 HB2 CYS A 54 -4.715 3.884 5.968 1.00 0.53 H new ATOM 0 HB3 CYS A 54 -6.382 3.691 5.461 1.00 0.53 H new ATOM 851 N PRO A 55 -5.688 3.114 1.758 1.00 0.43 N ATOM 852 CA PRO A 55 -6.660 2.709 0.761 1.00 0.50 C ATOM 853 C PRO A 55 -7.690 1.725 1.328 1.00 0.59 C ATOM 854 O PRO A 55 -8.821 1.708 0.854 1.00 0.73 O ATOM 855 CB PRO A 55 -5.868 2.086 -0.385 1.00 0.45 C ATOM 856 CG PRO A 55 -4.420 2.030 0.066 1.00 0.50 C ATOM 857 CD PRO A 55 -4.393 2.507 1.516 1.00 0.38 C ATOM 0 HA PRO A 55 -7.237 3.568 0.419 1.00 0.50 H new ATOM 0 HB2 PRO A 55 -6.241 1.088 -0.615 1.00 0.45 H new ATOM 0 HB3 PRO A 55 -5.968 2.681 -1.293 1.00 0.45 H new ATOM 0 HG2 PRO A 55 -4.028 1.016 -0.015 1.00 0.50 H new ATOM 0 HG3 PRO A 55 -3.794 2.664 -0.562 1.00 0.50 H new ATOM 0 HD2 PRO A 55 -4.218 1.675 2.198 1.00 0.38 H new ATOM 0 HD3 PRO A 55 -3.589 3.225 1.676 1.00 0.38 H new ATOM 865 N ILE A 56 -7.314 0.881 2.299 1.00 0.58 N ATOM 866 CA ILE A 56 -8.240 -0.070 2.897 1.00 0.64 C ATOM 867 C ILE A 56 -9.024 0.638 3.987 1.00 0.67 C ATOM 868 O ILE A 56 -10.217 0.888 3.840 1.00 0.73 O ATOM 869 CB ILE A 56 -7.515 -1.309 3.453 1.00 0.68 C ATOM 870 CG1 ILE A 56 -6.806 -2.086 2.337 1.00 0.80 C ATOM 871 CG2 ILE A 56 -8.520 -2.254 4.122 1.00 0.70 C ATOM 872 CD1 ILE A 56 -5.371 -1.600 2.147 1.00 0.99 C ATOM 0 H ILE A 56 -6.370 0.844 2.683 1.00 0.58 H new ATOM 0 HA ILE A 56 -8.920 -0.433 2.127 1.00 0.64 H new ATOM 0 HB ILE A 56 -6.779 -0.957 4.176 1.00 0.68 H new ATOM 0 HG12 ILE A 56 -6.803 -3.149 2.577 1.00 0.80 H new ATOM 0 HG13 ILE A 56 -7.358 -1.971 1.404 1.00 0.80 H new ATOM 0 HG21 ILE A 56 -7.995 -3.127 4.511 1.00 0.70 H new ATOM 0 HG22 ILE A 56 -9.018 -1.735 4.941 1.00 0.70 H new ATOM 0 HG23 ILE A 56 -9.262 -2.573 3.390 1.00 0.70 H new ATOM 0 HD11 ILE A 56 -4.896 -2.171 1.349 1.00 0.99 H new ATOM 0 HD12 ILE A 56 -5.377 -0.543 1.883 1.00 0.99 H new ATOM 0 HD13 ILE A 56 -4.814 -1.739 3.074 1.00 0.99 H new ATOM 884 N CYS A 57 -8.358 0.933 5.107 1.00 0.67 N ATOM 885 CA CYS A 57 -9.038 1.427 6.288 1.00 0.73 C ATOM 886 C CYS A 57 -9.590 2.841 6.037 1.00 0.66 C ATOM 887 O CYS A 57 -10.493 3.273 6.748 1.00 0.67 O ATOM 888 CB CYS A 57 -8.117 1.289 7.520 1.00 0.82 C ATOM 889 SG CYS A 57 -6.419 1.939 7.338 1.00 0.73 S ATOM 0 H CYS A 57 -7.348 0.835 5.212 1.00 0.67 H new ATOM 0 HA CYS A 57 -9.915 0.820 6.512 1.00 0.73 H new ATOM 0 HB2 CYS A 57 -8.590 1.798 8.360 1.00 0.82 H new ATOM 0 HB3 CYS A 57 -8.053 0.233 7.783 1.00 0.82 H new ATOM 894 N ARG A 58 -9.124 3.542 4.992 1.00 0.62 N ATOM 895 CA ARG A 58 -9.719 4.790 4.513 1.00 0.62 C ATOM 896 C ARG A 58 -9.584 5.898 5.552 1.00 0.65 C ATOM 897 O ARG A 58 -10.421 6.794 5.607 1.00 0.80 O ATOM 898 CB ARG A 58 -11.172 4.521 4.067 1.00 0.66 C ATOM 899 CG ARG A 58 -11.588 5.283 2.800 1.00 0.71 C ATOM 900 CD ARG A 58 -11.528 6.805 2.953 1.00 1.55 C ATOM 901 NE ARG A 58 -12.217 7.484 1.842 1.00 2.02 N ATOM 902 CZ ARG A 58 -13.514 7.825 1.837 1.00 2.82 C ATOM 903 NH1 ARG A 58 -14.292 7.530 2.879 1.00 4.16 N ATOM 904 NH2 ARG A 58 -14.033 8.462 0.786 1.00 3.08 N ATOM 0 H ARG A 58 -8.310 3.250 4.451 1.00 0.62 H new ATOM 0 HA ARG A 58 -9.178 5.155 3.640 1.00 0.62 H new ATOM 0 HB2 ARG A 58 -11.296 3.452 3.893 1.00 0.66 H new ATOM 0 HB3 ARG A 58 -11.847 4.792 4.879 1.00 0.66 H new ATOM 0 HG2 ARG A 58 -10.940 4.983 1.976 1.00 0.71 H new ATOM 0 HG3 ARG A 58 -12.603 4.993 2.529 1.00 0.71 H new ATOM 0 HD2 ARG A 58 -11.985 7.096 3.899 1.00 1.55 H new ATOM 0 HD3 ARG A 58 -10.488 7.128 2.990 1.00 1.55 H new ATOM 0 HE ARG A 58 -11.666 7.712 1.014 1.00 2.02 H new ATOM 0 HH11 ARG A 58 -13.901 7.043 3.685 1.00 4.16 H new ATOM 0 HH12 ARG A 58 -15.278 7.792 2.870 1.00 4.16 H new ATOM 0 HH21 ARG A 58 -13.443 8.690 -0.014 1.00 3.08 H new ATOM 0 HH22 ARG A 58 -15.020 8.721 0.783 1.00 3.08 H new ATOM 918 N VAL A 59 -8.492 5.898 6.321 1.00 0.57 N ATOM 919 CA VAL A 59 -8.229 6.942 7.294 1.00 0.57 C ATOM 920 C VAL A 59 -6.824 7.460 7.132 1.00 0.52 C ATOM 921 O VAL A 59 -5.930 6.739 6.703 1.00 0.49 O ATOM 922 CB VAL A 59 -8.410 6.448 8.727 1.00 0.63 C ATOM 923 CG1 VAL A 59 -9.637 5.561 8.828 1.00 0.71 C ATOM 924 CG2 VAL A 59 -7.206 5.692 9.290 1.00 0.63 C ATOM 0 H VAL A 59 -7.774 5.175 6.281 1.00 0.57 H new ATOM 0 HA VAL A 59 -8.950 7.739 7.111 1.00 0.57 H new ATOM 0 HB VAL A 59 -8.526 7.350 9.329 1.00 0.63 H new ATOM 0 HG11 VAL A 59 -9.753 5.216 9.856 1.00 0.71 H new ATOM 0 HG12 VAL A 59 -10.521 6.127 8.533 1.00 0.71 H new ATOM 0 HG13 VAL A 59 -9.520 4.701 8.168 1.00 0.71 H new ATOM 0 HG21 VAL A 59 -7.419 5.377 10.311 1.00 0.63 H new ATOM 0 HG22 VAL A 59 -7.007 4.815 8.674 1.00 0.63 H new ATOM 0 HG23 VAL A 59 -6.333 6.344 9.286 1.00 0.63 H new ATOM 934 N ASP A 60 -6.604 8.700 7.521 1.00 0.50 N ATOM 935 CA ASP A 60 -5.296 9.282 7.477 1.00 0.46 C ATOM 936 C ASP A 60 -4.462 8.558 8.507 1.00 0.47 C ATOM 937 O ASP A 60 -4.831 8.506 9.678 1.00 0.56 O ATOM 938 CB ASP A 60 -5.349 10.776 7.818 1.00 0.48 C ATOM 939 CG ASP A 60 -6.459 11.532 7.079 1.00 0.55 C ATOM 940 OD1 ASP A 60 -7.637 11.279 7.420 1.00 1.65 O ATOM 941 OD2 ASP A 60 -6.130 12.311 6.156 1.00 1.61 O ATOM 0 H ASP A 60 -7.330 9.323 7.874 1.00 0.50 H new ATOM 0 HA ASP A 60 -4.873 9.187 6.477 1.00 0.46 H new ATOM 0 HB2 ASP A 60 -5.495 10.891 8.892 1.00 0.48 H new ATOM 0 HB3 ASP A 60 -4.388 11.230 7.577 1.00 0.48 H new ATOM 946 N ILE A 61 -3.347 7.986 8.064 1.00 0.46 N ATOM 947 CA ILE A 61 -2.486 7.181 8.896 1.00 0.53 C ATOM 948 C ILE A 61 -2.147 7.884 10.212 1.00 0.57 C ATOM 949 O ILE A 61 -2.082 7.229 11.245 1.00 0.65 O ATOM 950 CB ILE A 61 -1.251 6.780 8.093 1.00 0.57 C ATOM 951 CG1 ILE A 61 -1.678 6.096 6.778 1.00 0.61 C ATOM 952 CG2 ILE A 61 -0.420 5.823 8.935 1.00 0.71 C ATOM 953 CD1 ILE A 61 -1.453 7.027 5.589 1.00 0.62 C ATOM 0 H ILE A 61 -3.019 8.075 7.102 1.00 0.46 H new ATOM 0 HA ILE A 61 -3.009 6.271 9.189 1.00 0.53 H new ATOM 0 HB ILE A 61 -0.662 7.663 7.846 1.00 0.57 H new ATOM 0 HG12 ILE A 61 -1.110 5.176 6.639 1.00 0.61 H new ATOM 0 HG13 ILE A 61 -2.730 5.815 6.833 1.00 0.61 H new ATOM 0 HG21 ILE A 61 0.468 5.525 8.377 1.00 0.71 H new ATOM 0 HG22 ILE A 61 -0.119 6.318 9.858 1.00 0.71 H new ATOM 0 HG23 ILE A 61 -1.012 4.940 9.173 1.00 0.71 H new ATOM 0 HD11 ILE A 61 -1.760 6.526 4.671 1.00 0.62 H new ATOM 0 HD12 ILE A 61 -2.042 7.935 5.721 1.00 0.62 H new ATOM 0 HD13 ILE A 61 -0.396 7.286 5.525 1.00 0.62 H new ATOM 965 N GLU A 62 -1.936 9.203 10.154 1.00 0.60 N ATOM 966 CA GLU A 62 -1.784 10.090 11.298 1.00 0.68 C ATOM 967 C GLU A 62 -1.402 11.471 10.770 1.00 1.56 C ATOM 968 O GLU A 62 -0.304 11.653 10.242 1.00 2.87 O ATOM 969 CB GLU A 62 -0.749 9.603 12.335 1.00 2.04 C ATOM 970 CG GLU A 62 -1.463 9.295 13.657 1.00 2.77 C ATOM 971 CD GLU A 62 -0.478 8.982 14.785 1.00 3.74 C ATOM 972 OE1 GLU A 62 0.308 9.896 15.121 1.00 4.24 O ATOM 973 OE2 GLU A 62 -0.537 7.851 15.316 1.00 4.69 O ATOM 0 H GLU A 62 -1.864 9.698 9.265 1.00 0.60 H new ATOM 0 HA GLU A 62 -2.733 10.114 11.833 1.00 0.68 H new ATOM 0 HB2 GLU A 62 -0.240 8.712 11.967 1.00 2.04 H new ATOM 0 HB3 GLU A 62 0.014 10.365 12.490 1.00 2.04 H new ATOM 0 HG2 GLU A 62 -2.080 10.147 13.942 1.00 2.77 H new ATOM 0 HG3 GLU A 62 -2.134 8.448 13.517 1.00 2.77 H new ATOM 980 N ALA A 63 -2.306 12.444 10.919 1.00 2.39 N ATOM 981 CA ALA A 63 -2.116 13.817 10.468 1.00 3.78 C ATOM 982 C ALA A 63 -1.629 13.877 9.012 1.00 4.11 C ATOM 983 O ALA A 63 -1.899 12.982 8.213 1.00 4.14 O ATOM 984 CB ALA A 63 -1.193 14.537 11.463 1.00 4.56 C ATOM 0 H ALA A 63 -3.209 12.291 11.367 1.00 2.39 H new ATOM 0 HA ALA A 63 -3.070 14.343 10.457 1.00 3.78 H new ATOM 0 HB1 ALA A 63 -1.041 15.567 11.139 1.00 4.56 H new ATOM 0 HB2 ALA A 63 -1.650 14.532 12.453 1.00 4.56 H new ATOM 0 HB3 ALA A 63 -0.232 14.024 11.504 1.00 4.56 H new ATOM 990 N GLN A 64 -0.949 14.963 8.634 1.00 5.05 N ATOM 991 CA GLN A 64 -0.411 15.106 7.292 1.00 5.84 C ATOM 992 C GLN A 64 0.844 15.972 7.363 1.00 5.34 C ATOM 993 O GLN A 64 0.925 17.023 6.738 1.00 6.53 O ATOM 994 CB GLN A 64 -1.497 15.672 6.360 1.00 8.03 C ATOM 995 CG GLN A 64 -1.180 15.408 4.881 1.00 9.21 C ATOM 996 CD GLN A 64 -0.550 16.576 4.134 1.00 10.51 C ATOM 997 OE1 GLN A 64 0.553 16.453 3.613 1.00 10.85 O ATOM 998 NE2 GLN A 64 -1.263 17.688 4.010 1.00 11.64 N ATOM 0 H GLN A 64 -0.761 15.756 9.247 1.00 5.05 H new ATOM 0 HA GLN A 64 -0.119 14.143 6.872 1.00 5.84 H new ATOM 0 HB2 GLN A 64 -2.459 15.224 6.610 1.00 8.03 H new ATOM 0 HB3 GLN A 64 -1.593 16.745 6.524 1.00 8.03 H new ATOM 0 HG2 GLN A 64 -0.508 14.552 4.817 1.00 9.21 H new ATOM 0 HG3 GLN A 64 -2.103 15.128 4.373 1.00 9.21 H new ATOM 0 HE21 GLN A 64 -2.178 17.760 4.456 1.00 11.64 H new ATOM 0 HE22 GLN A 64 -0.896 18.471 3.469 1.00 11.64 H new ATOM 1007 N LEU A 65 1.825 15.529 8.151 1.00 4.22 N ATOM 1008 CA LEU A 65 3.112 16.202 8.239 1.00 4.22 C ATOM 1009 C LEU A 65 4.070 15.608 7.199 1.00 4.37 C ATOM 1010 O LEU A 65 3.854 14.478 6.736 1.00 4.79 O ATOM 1011 CB LEU A 65 3.676 16.151 9.675 1.00 4.34 C ATOM 1012 CG LEU A 65 4.031 14.761 10.237 1.00 4.73 C ATOM 1013 CD1 LEU A 65 5.223 14.893 11.188 1.00 5.83 C ATOM 1014 CD2 LEU A 65 2.868 14.157 11.033 1.00 5.76 C ATOM 0 H LEU A 65 1.746 14.700 8.740 1.00 4.22 H new ATOM 0 HA LEU A 65 2.986 17.260 8.009 1.00 4.22 H new ATOM 0 HB2 LEU A 65 4.573 16.770 9.709 1.00 4.34 H new ATOM 0 HB3 LEU A 65 2.947 16.610 10.342 1.00 4.34 H new ATOM 0 HG LEU A 65 4.260 14.113 9.391 1.00 4.73 H new ATOM 0 HD11 LEU A 65 5.479 13.912 11.589 1.00 5.83 H new ATOM 0 HD12 LEU A 65 6.078 15.298 10.646 1.00 5.83 H new ATOM 0 HD13 LEU A 65 4.962 15.563 12.007 1.00 5.83 H new ATOM 0 HD21 LEU A 65 3.157 13.177 11.413 1.00 5.76 H new ATOM 0 HD22 LEU A 65 2.620 14.812 11.869 1.00 5.76 H new ATOM 0 HD23 LEU A 65 1.998 14.052 10.384 1.00 5.76 H new ATOM 1026 N PRO A 66 5.103 16.366 6.802 1.00 4.96 N ATOM 1027 CA PRO A 66 6.193 15.874 5.978 1.00 5.49 C ATOM 1028 C PRO A 66 7.203 15.113 6.837 1.00 5.20 C ATOM 1029 O PRO A 66 7.096 15.063 8.060 1.00 5.53 O ATOM 1030 CB PRO A 66 6.816 17.132 5.367 1.00 6.79 C ATOM 1031 CG PRO A 66 6.641 18.161 6.481 1.00 6.94 C ATOM 1032 CD PRO A 66 5.285 17.785 7.080 1.00 6.01 C ATOM 0 HA PRO A 66 5.859 15.177 5.210 1.00 5.49 H new ATOM 0 HB2 PRO A 66 7.866 16.983 5.113 1.00 6.79 H new ATOM 0 HB3 PRO A 66 6.307 17.434 4.452 1.00 6.79 H new ATOM 0 HG2 PRO A 66 7.441 18.098 7.219 1.00 6.94 H new ATOM 0 HG3 PRO A 66 6.644 19.180 6.094 1.00 6.94 H new ATOM 0 HD2 PRO A 66 5.265 17.978 8.153 1.00 6.01 H new ATOM 0 HD3 PRO A 66 4.484 18.376 6.635 1.00 6.01 H new ATOM 1040 N SER A 67 8.192 14.516 6.177 1.00 5.58 N ATOM 1041 CA SER A 67 9.237 13.716 6.789 1.00 6.32 C ATOM 1042 C SER A 67 10.407 13.667 5.807 1.00 6.62 C ATOM 1043 O SER A 67 10.295 14.163 4.686 1.00 6.64 O ATOM 1044 CB SER A 67 8.653 12.323 7.064 1.00 7.24 C ATOM 1045 OG SER A 67 9.632 11.371 7.432 1.00 8.61 O ATOM 0 H SER A 67 8.287 14.582 5.164 1.00 5.58 H new ATOM 0 HA SER A 67 9.594 14.130 7.732 1.00 6.32 H new ATOM 0 HB2 SER A 67 7.911 12.398 7.859 1.00 7.24 H new ATOM 0 HB3 SER A 67 8.131 11.973 6.173 1.00 7.24 H new ATOM 0 HG SER A 67 10.045 10.998 6.625 1.00 8.61 H new ATOM 1051 N GLU A 68 11.506 13.023 6.198 1.00 7.42 N ATOM 1052 CA GLU A 68 12.449 12.495 5.224 1.00 7.93 C ATOM 1053 C GLU A 68 11.709 11.528 4.295 1.00 8.02 C ATOM 1054 O GLU A 68 10.702 10.930 4.690 1.00 8.39 O ATOM 1055 CB GLU A 68 13.638 11.812 5.919 1.00 9.13 C ATOM 1056 CG GLU A 68 13.215 10.780 6.975 1.00 9.95 C ATOM 1057 CD GLU A 68 14.412 9.968 7.471 1.00 11.27 C ATOM 1058 OE1 GLU A 68 15.100 10.468 8.388 1.00 12.06 O ATOM 1059 OE2 GLU A 68 14.619 8.859 6.931 1.00 11.75 O ATOM 0 H GLU A 68 11.760 12.858 7.172 1.00 7.42 H new ATOM 0 HA GLU A 68 12.860 13.313 4.633 1.00 7.93 H new ATOM 0 HB2 GLU A 68 14.255 11.320 5.167 1.00 9.13 H new ATOM 0 HB3 GLU A 68 14.259 12.573 6.393 1.00 9.13 H new ATOM 0 HG2 GLU A 68 12.745 11.289 7.816 1.00 9.95 H new ATOM 0 HG3 GLU A 68 12.468 10.109 6.551 1.00 9.95 H new ATOM 1066 N SER A 69 12.180 11.414 3.053 1.00 8.09 N ATOM 1067 CA SER A 69 11.697 10.521 2.010 1.00 8.56 C ATOM 1068 C SER A 69 12.863 10.286 1.055 1.00 8.83 C ATOM 1069 O SER A 69 13.728 11.190 1.007 1.00 8.92 O ATOM 1070 CB SER A 69 10.542 11.167 1.243 1.00 8.34 C ATOM 1071 OG SER A 69 9.425 11.346 2.094 1.00 8.76 O ATOM 1072 OXT SER A 69 12.865 9.220 0.407 1.00 9.29 O ATOM 0 H SER A 69 12.962 11.984 2.731 1.00 8.09 H new ATOM 0 HA SER A 69 11.336 9.589 2.444 1.00 8.56 H new ATOM 0 HB2 SER A 69 10.858 12.129 0.839 1.00 8.34 H new ATOM 0 HB3 SER A 69 10.265 10.541 0.395 1.00 8.34 H new ATOM 0 HG SER A 69 9.667 11.093 3.009 1.00 8.76 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.529 -1.524 -6.597 1.00 0.50 ZN HETATM 1080 ZN ZN A 71 -4.549 0.916 6.805 1.00 0.61 ZN