USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -0.304 X(o=-0.43,f=-0.39) USER MOD Set 1.2: A 65 SER OG : rot 75:sc= -0.126 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.368 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.393 K(o=0.76,f=0.021) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 159:sc= 1.06 (180deg=-0.0468) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 0.905 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.28 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= -0.069 K(o=-0.069,f=-1.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.501 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.919) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.147 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0972 K(o=0.097,f=-2.2) USER MOD Single : A 55 THR OG1 : rot -25:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.883 -7.232 -4.420 1.00 9.67 N ATOM 2 CA MET A 1 11.581 -7.849 -3.118 1.00 10.38 C ATOM 3 C MET A 1 10.177 -8.305 -3.029 1.00 9.62 C ATOM 4 O MET A 1 9.406 -8.433 -3.963 1.00 9.62 O ATOM 5 CB MET A 1 12.022 -6.851 -2.008 1.00 13.77 C ATOM 6 CG MET A 1 11.352 -5.465 -1.920 1.00 16.29 C ATOM 7 SD MET A 1 11.766 -4.480 -0.439 1.00 17.17 S ATOM 8 CE MET A 1 10.727 -3.091 -0.784 1.00 16.11 C ATOM 0 H1 MET A 1 12.795 -6.735 -4.365 1.00 9.67 H new ATOM 0 H2 MET A 1 11.935 -7.970 -5.150 1.00 9.67 H new ATOM 0 H3 MET A 1 11.133 -6.554 -4.665 1.00 9.67 H new ATOM 0 HA MET A 1 12.146 -8.771 -2.982 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.875 -7.346 -1.048 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.094 -6.688 -2.123 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.628 -4.891 -2.805 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.271 -5.601 -1.953 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.829 -2.354 0.012 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.022 -2.643 -1.733 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.689 -3.419 -0.844 1.00 16.11 H new ATOM 20 N GLN A 2 9.779 -8.620 -1.822 1.00 9.27 N ATOM 21 CA GLN A 2 8.374 -8.824 -1.478 1.00 9.07 C ATOM 22 C GLN A 2 8.068 -7.972 -0.285 1.00 8.72 C ATOM 23 O GLN A 2 8.937 -7.837 0.635 1.00 8.22 O ATOM 24 CB GLN A 2 8.089 -10.285 -1.083 1.00 14.46 C ATOM 25 CG GLN A 2 8.105 -11.243 -2.282 1.00 17.01 C ATOM 26 CD GLN A 2 8.107 -12.671 -1.783 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.516 -13.007 -0.663 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.696 -13.552 -2.737 1.00 19.49 N ATOM 0 H GLN A 2 10.418 -8.746 -1.037 1.00 9.27 H new ATOM 0 HA GLN A 2 7.766 -8.569 -2.346 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.832 -10.610 -0.355 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.117 -10.340 -0.593 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.234 -11.068 -2.913 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.986 -11.060 -2.897 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.370 -13.210 -3.641 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.714 -14.554 -2.548 1.00 19.49 H new ATOM 37 N ILE A 3 6.826 -7.470 -0.190 1.00 5.87 N ATOM 38 CA ILE A 3 6.321 -6.866 1.022 1.00 5.07 C ATOM 39 C ILE A 3 4.966 -7.281 1.373 1.00 4.01 C ATOM 40 O ILE A 3 4.120 -7.645 0.532 1.00 4.61 O ATOM 41 CB ILE A 3 6.314 -5.309 0.967 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.535 -4.690 -0.213 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.744 -4.806 1.063 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.646 -3.164 -0.207 1.00 10.83 C ATOM 0 H ILE A 3 6.156 -7.479 -0.959 1.00 5.87 H new ATOM 0 HA ILE A 3 7.019 -7.222 1.780 1.00 5.07 H new ATOM 0 HB ILE A 3 5.743 -4.963 1.829 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.922 -5.082 -1.154 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.486 -4.982 -0.153 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.750 -3.717 1.025 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.185 -5.139 2.003 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.325 -5.201 0.230 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.088 -2.755 -1.049 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.236 -2.773 0.724 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.694 -2.875 -0.292 1.00 10.83 H new ATOM 56 N PHE A 4 4.695 -7.356 2.678 1.00 4.55 N ATOM 57 CA PHE A 4 3.389 -7.870 3.063 1.00 4.68 C ATOM 58 C PHE A 4 2.526 -6.709 3.358 1.00 5.30 C ATOM 59 O PHE A 4 2.941 -5.710 3.972 1.00 5.58 O ATOM 60 CB PHE A 4 3.379 -8.665 4.392 1.00 4.83 C ATOM 61 CG PHE A 4 4.322 -9.830 4.225 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.994 -10.983 3.492 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.742 -9.664 4.506 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.929 -11.960 3.101 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.662 -10.682 4.225 1.00 10.61 C ATOM 66 CZ PHE A 4 6.278 -11.825 3.481 1.00 8.90 C ATOM 0 H PHE A 4 5.319 -7.086 3.438 1.00 4.55 H new ATOM 0 HA PHE A 4 3.073 -8.516 2.244 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.694 -8.031 5.221 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.373 -9.015 4.623 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.961 -11.129 3.211 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.092 -8.739 4.939 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.613 -12.809 2.513 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.678 -10.595 4.580 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.005 -12.577 3.211 1.00 8.90 H new ATOM 76 N VAL A 5 1.254 -6.808 2.943 1.00 4.44 N ATOM 77 CA VAL A 5 0.193 -5.801 3.217 1.00 3.87 C ATOM 78 C VAL A 5 -0.889 -6.510 4.015 1.00 4.93 C ATOM 79 O VAL A 5 -1.475 -7.469 3.550 1.00 6.84 O ATOM 80 CB VAL A 5 -0.385 -5.132 1.978 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.431 -4.054 2.465 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.754 -4.491 1.087 1.00 9.13 C ATOM 0 H VAL A 5 0.918 -7.601 2.397 1.00 4.44 H new ATOM 0 HA VAL A 5 0.638 -4.975 3.772 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.881 -5.867 1.344 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.867 -3.553 1.600 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.220 -4.544 3.036 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.930 -3.319 3.095 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.309 -4.021 0.210 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.291 -3.741 1.667 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.448 -5.269 0.769 1.00 9.13 H new ATOM 92 N LYS A 6 -1.208 -6.042 5.245 1.00 6.04 N ATOM 93 CA LYS A 6 -2.249 -6.497 6.187 1.00 6.12 C ATOM 94 C LYS A 6 -3.474 -5.549 6.255 1.00 6.57 C ATOM 95 O LYS A 6 -3.389 -4.354 6.485 1.00 5.76 O ATOM 96 CB LYS A 6 -1.634 -6.704 7.619 1.00 7.45 C ATOM 97 CG LYS A 6 -1.165 -8.154 7.857 1.00 11.12 C ATOM 98 CD LYS A 6 -0.756 -8.392 9.319 1.00 14.54 C ATOM 99 CE LYS A 6 -0.747 -9.886 9.778 1.00 18.84 C ATOM 100 NZ LYS A 6 0.241 -10.636 8.905 1.00 20.55 N ATOM 0 H LYS A 6 -0.688 -5.257 5.638 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.619 -7.448 5.805 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.790 -6.027 7.750 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.376 -6.438 8.372 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.965 -8.843 7.587 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.321 -8.374 7.204 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.240 -7.977 9.472 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.436 -7.836 9.964 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.462 -9.961 10.827 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.743 -10.319 9.686 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.537 -11.509 9.387 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.209 -10.876 7.999 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.074 -10.038 8.730 1.00 20.55 H new ATOM 114 N THR A 7 -4.688 -6.025 6.042 1.00 7.41 N ATOM 115 CA THR A 7 -5.952 -5.243 6.019 1.00 7.48 C ATOM 116 C THR A 7 -6.531 -5.080 7.411 1.00 8.75 C ATOM 117 O THR A 7 -6.037 -5.556 8.452 1.00 8.58 O ATOM 118 CB THR A 7 -7.049 -5.880 5.158 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.424 -7.149 5.642 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.530 -6.097 3.752 1.00 9.17 C ATOM 0 H THR A 7 -4.848 -7.018 5.869 1.00 7.41 H new ATOM 0 HA THR A 7 -5.667 -4.282 5.591 1.00 7.48 H new ATOM 0 HB THR A 7 -7.903 -5.203 5.183 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.126 -7.523 5.069 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.311 -6.550 3.142 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.241 -5.139 3.319 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.664 -6.758 3.782 1.00 9.17 H new ATOM 128 N LEU A 8 -7.659 -4.288 7.477 1.00 9.84 N ATOM 129 CA LEU A 8 -8.300 -3.948 8.729 1.00 14.15 C ATOM 130 C LEU A 8 -8.928 -5.103 9.457 1.00 17.37 C ATOM 131 O LEU A 8 -8.717 -5.274 10.642 1.00 17.01 O ATOM 132 CB LEU A 8 -9.293 -2.840 8.436 1.00 16.63 C ATOM 133 CG LEU A 8 -9.922 -2.154 9.631 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.920 -1.364 10.504 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.037 -1.104 9.386 1.00 18.59 C ATOM 0 H LEU A 8 -8.116 -3.890 6.656 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.533 -3.616 9.428 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.790 -2.082 7.835 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.093 -3.254 7.822 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.341 -3.047 10.095 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.449 -0.903 11.338 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.158 -2.042 10.888 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.445 -0.589 9.902 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.380 -0.708 10.342 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.643 -0.290 8.777 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.872 -1.574 8.867 1.00 18.59 H new ATOM 147 N THR A 9 -9.573 -6.066 8.712 1.00 18.33 N ATOM 148 CA THR A 9 -10.107 -7.295 9.236 1.00 19.24 C ATOM 149 C THR A 9 -9.141 -8.451 9.121 1.00 19.48 C ATOM 150 O THR A 9 -9.359 -9.651 9.383 1.00 23.14 O ATOM 151 CB THR A 9 -11.375 -7.771 8.585 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.413 -7.614 7.168 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.481 -6.851 9.090 1.00 19.70 C ATOM 0 H THR A 9 -9.719 -5.968 7.707 1.00 18.33 H new ATOM 0 HA THR A 9 -10.305 -7.025 10.273 1.00 19.24 H new ATOM 0 HB THR A 9 -11.469 -8.831 8.821 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.268 -7.948 6.825 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.432 -7.149 8.649 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.546 -6.922 10.176 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.256 -5.823 8.807 1.00 19.70 H new ATOM 161 N GLY A 10 -7.855 -8.132 8.806 1.00 19.43 N ATOM 162 CA GLY A 10 -6.769 -9.057 9.124 1.00 18.74 C ATOM 163 C GLY A 10 -6.390 -10.007 8.062 1.00 17.62 C ATOM 164 O GLY A 10 -5.987 -11.155 8.279 1.00 19.74 O ATOM 0 H GLY A 10 -7.567 -7.268 8.348 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.888 -8.473 9.391 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.053 -9.627 10.008 1.00 18.74 H new ATOM 168 N LYS A 11 -6.560 -9.734 6.815 1.00 13.56 N ATOM 169 CA LYS A 11 -6.043 -10.523 5.722 1.00 11.91 C ATOM 170 C LYS A 11 -4.672 -9.970 5.316 1.00 10.18 C ATOM 171 O LYS A 11 -4.488 -8.774 5.256 1.00 9.10 O ATOM 172 CB LYS A 11 -7.008 -10.433 4.484 1.00 13.43 C ATOM 173 CG LYS A 11 -6.423 -11.231 3.305 1.00 16.69 C ATOM 174 CD LYS A 11 -7.274 -11.422 1.965 1.00 17.92 C ATOM 175 CE LYS A 11 -6.648 -12.402 0.958 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.599 -12.815 -0.129 1.00 21.93 N ATOM 0 H LYS A 11 -7.087 -8.918 6.502 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.959 -11.562 6.040 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.990 -10.825 4.748 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.148 -9.391 4.196 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.483 -10.754 3.026 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.178 -12.226 3.677 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.271 -11.775 2.228 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.396 -10.452 1.484 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.769 -11.940 0.508 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.304 -13.290 1.489 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.107 -13.434 -0.804 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.402 -13.327 0.288 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.947 -11.970 -0.625 1.00 21.93 H new ATOM 190 N THR A 12 -3.685 -10.845 4.996 1.00 9.63 N ATOM 191 CA THR A 12 -2.273 -10.535 4.693 1.00 9.85 C ATOM 192 C THR A 12 -2.046 -10.987 3.227 1.00 11.66 C ATOM 193 O THR A 12 -2.396 -12.068 2.825 1.00 12.33 O ATOM 194 CB THR A 12 -1.289 -11.336 5.527 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.619 -11.360 6.945 1.00 10.91 O ATOM 196 CG2 THR A 12 0.155 -10.878 5.302 1.00 9.63 C ATOM 0 H THR A 12 -3.870 -11.847 4.940 1.00 9.63 H new ATOM 0 HA THR A 12 -2.107 -9.476 4.890 1.00 9.85 H new ATOM 0 HB THR A 12 -1.375 -12.364 5.175 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.291 -12.193 7.343 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.827 -11.477 5.917 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.417 -11.003 4.251 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.251 -9.828 5.577 1.00 9.63 H new ATOM 204 N ILE A 13 -1.558 -10.052 2.395 1.00 10.42 N ATOM 205 CA ILE A 13 -1.165 -10.319 1.009 1.00 11.84 C ATOM 206 C ILE A 13 0.313 -10.078 0.839 1.00 10.55 C ATOM 207 O ILE A 13 0.960 -9.434 1.642 1.00 11.92 O ATOM 208 CB ILE A 13 -1.961 -9.494 -0.001 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.018 -7.963 0.295 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.426 -10.043 -0.004 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.967 -7.249 -0.684 1.00 16.46 C ATOM 0 H ILE A 13 -1.425 -9.080 2.673 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.392 -11.365 0.805 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.451 -9.596 -0.959 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.354 -7.799 1.319 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.018 -7.536 0.216 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.026 -9.476 -0.716 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.420 -11.094 -0.291 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.855 -9.942 0.993 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.989 -6.183 -0.457 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.614 -7.395 -1.705 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.971 -7.662 -0.584 1.00 16.46 H new ATOM 223 N THR A 14 0.870 -10.618 -0.250 1.00 9.39 N ATOM 224 CA THR A 14 2.291 -10.494 -0.639 1.00 9.63 C ATOM 225 C THR A 14 2.342 -9.780 -1.951 1.00 11.20 C ATOM 226 O THR A 14 1.847 -10.315 -2.939 1.00 11.63 O ATOM 227 CB THR A 14 3.092 -11.804 -0.722 1.00 10.38 C ATOM 228 OG1 THR A 14 2.766 -12.616 0.390 1.00 16.30 O ATOM 229 CG2 THR A 14 4.588 -11.462 -0.745 1.00 11.66 C ATOM 0 H THR A 14 0.330 -11.175 -0.913 1.00 9.39 H new ATOM 0 HA THR A 14 2.779 -9.943 0.165 1.00 9.63 H new ATOM 0 HB THR A 14 2.846 -12.355 -1.630 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.267 -12.312 1.175 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.171 -12.381 -0.804 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.805 -10.839 -1.612 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.852 -10.923 0.165 1.00 11.66 H new ATOM 237 N LEU A 15 2.967 -8.589 -1.967 1.00 8.29 N ATOM 238 CA LEU A 15 3.128 -7.869 -3.098 1.00 9.03 C ATOM 239 C LEU A 15 4.542 -8.017 -3.649 1.00 8.59 C ATOM 240 O LEU A 15 5.547 -7.760 -2.983 1.00 7.79 O ATOM 241 CB LEU A 15 2.902 -6.387 -2.942 1.00 11.08 C ATOM 242 CG LEU A 15 1.412 -6.023 -2.492 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.265 -4.504 -2.435 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.311 -6.592 -3.438 1.00 15.27 C ATOM 0 H LEU A 15 3.360 -8.148 -1.135 1.00 8.29 H new ATOM 0 HA LEU A 15 2.369 -8.276 -3.766 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.603 -5.994 -2.206 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.121 -5.891 -3.887 1.00 11.08 H new ATOM 0 HG LEU A 15 1.263 -6.484 -1.516 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.251 -4.248 -2.129 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.975 -4.096 -1.716 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.464 -4.082 -3.420 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.672 -6.303 -3.067 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.452 -6.192 -4.442 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.383 -7.679 -3.467 1.00 15.27 H new ATOM 256 N GLU A 16 4.669 -8.237 -4.984 1.00 11.04 N ATOM 257 CA GLU A 16 5.980 -8.302 -5.679 1.00 11.50 C ATOM 258 C GLU A 16 6.404 -6.954 -6.210 1.00 10.13 C ATOM 259 O GLU A 16 6.005 -6.556 -7.295 1.00 9.83 O ATOM 260 CB GLU A 16 5.867 -9.349 -6.744 1.00 17.22 C ATOM 261 CG GLU A 16 7.146 -9.773 -7.536 1.00 23.33 C ATOM 262 CD GLU A 16 6.756 -10.968 -8.318 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.502 -12.036 -7.739 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.793 -10.871 -9.551 1.00 28.90 O ATOM 0 H GLU A 16 3.871 -8.373 -5.604 1.00 11.04 H new ATOM 0 HA GLU A 16 6.772 -8.580 -4.983 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.456 -10.246 -6.280 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.132 -9.001 -7.470 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.485 -8.970 -8.191 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.969 -10.000 -6.858 1.00 23.33 H new ATOM 271 N VAL A 17 7.244 -6.204 -5.430 1.00 8.99 N ATOM 272 CA VAL A 17 7.628 -4.858 -5.735 1.00 8.85 C ATOM 273 C VAL A 17 9.154 -4.719 -5.809 1.00 8.04 C ATOM 274 O VAL A 17 9.927 -5.525 -5.183 1.00 8.99 O ATOM 275 CB VAL A 17 7.176 -3.845 -4.684 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.563 -3.758 -4.723 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.610 -4.238 -3.273 1.00 10.54 C ATOM 0 H VAL A 17 7.659 -6.557 -4.568 1.00 8.99 H new ATOM 0 HA VAL A 17 7.145 -4.650 -6.690 1.00 8.85 H new ATOM 0 HB VAL A 17 7.639 -2.886 -4.918 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.219 -3.039 -3.979 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.240 -3.438 -5.713 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.140 -4.738 -4.503 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.265 -3.486 -2.563 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.178 -5.205 -3.016 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.697 -4.303 -3.232 1.00 10.54 H new ATOM 287 N GLU A 18 9.599 -3.566 -6.339 1.00 7.29 N ATOM 288 CA GLU A 18 10.952 -3.053 -6.092 1.00 7.08 C ATOM 289 C GLU A 18 10.840 -1.781 -5.310 1.00 6.45 C ATOM 290 O GLU A 18 9.785 -1.142 -5.385 1.00 5.28 O ATOM 291 CB GLU A 18 11.613 -2.882 -7.449 1.00 10.28 C ATOM 292 CG GLU A 18 11.792 -4.204 -8.179 1.00 12.65 C ATOM 293 CD GLU A 18 12.709 -5.098 -7.365 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.797 -4.746 -6.839 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.414 -6.332 -7.235 1.00 14.33 O ATOM 0 H GLU A 18 9.034 -2.971 -6.945 1.00 7.29 H new ATOM 0 HA GLU A 18 11.570 -3.727 -5.499 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.011 -2.211 -8.061 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.586 -2.408 -7.319 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.826 -4.688 -8.324 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.215 -4.033 -9.169 1.00 12.65 H new ATOM 302 N PRO A 19 11.790 -1.352 -4.521 1.00 7.24 N ATOM 303 CA PRO A 19 11.697 -0.140 -3.663 1.00 7.07 C ATOM 304 C PRO A 19 11.304 1.133 -4.515 1.00 6.65 C ATOM 305 O PRO A 19 10.814 2.095 -3.944 1.00 6.37 O ATOM 306 CB PRO A 19 13.118 0.021 -3.061 1.00 7.61 C ATOM 307 CG PRO A 19 13.744 -1.417 -3.067 1.00 8.16 C ATOM 308 CD PRO A 19 13.000 -2.132 -4.215 1.00 7.49 C ATOM 0 HA PRO A 19 10.928 -0.239 -2.897 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.718 0.712 -3.653 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.072 0.424 -2.049 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.819 -1.386 -3.244 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.593 -1.924 -2.114 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.638 -2.208 -5.095 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.736 -3.149 -3.924 1.00 7.49 H new ATOM 316 N SER A 20 11.640 1.125 -5.823 1.00 6.80 N ATOM 317 CA SER A 20 11.623 2.158 -6.806 1.00 6.28 C ATOM 318 C SER A 20 10.263 2.139 -7.540 1.00 8.45 C ATOM 319 O SER A 20 9.984 2.940 -8.459 1.00 7.26 O ATOM 320 CB SER A 20 12.769 1.983 -7.832 1.00 8.57 C ATOM 321 OG SER A 20 12.828 0.590 -8.230 1.00 11.13 O ATOM 0 H SER A 20 11.972 0.256 -6.241 1.00 6.80 H new ATOM 0 HA SER A 20 11.767 3.114 -6.302 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.598 2.617 -8.702 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.718 2.291 -7.394 1.00 8.57 H new ATOM 0 HG SER A 20 13.549 0.466 -8.882 1.00 11.13 H new ATOM 327 N ASP A 21 9.259 1.315 -7.059 1.00 7.50 N ATOM 328 CA ASP A 21 7.950 1.366 -7.646 1.00 7.70 C ATOM 329 C ASP A 21 7.181 2.415 -6.896 1.00 7.08 C ATOM 330 O ASP A 21 7.152 2.497 -5.683 1.00 8.11 O ATOM 331 CB ASP A 21 7.259 0.054 -7.541 1.00 11.00 C ATOM 332 CG ASP A 21 7.845 -0.960 -8.468 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.875 -0.689 -9.723 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.106 -2.087 -8.049 1.00 18.03 O ATOM 0 H ASP A 21 9.368 0.648 -6.295 1.00 7.50 H new ATOM 0 HA ASP A 21 8.021 1.604 -8.707 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.325 -0.310 -6.516 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.200 0.182 -7.766 1.00 11.00 H new ATOM 339 N THR A 22 6.534 3.351 -7.607 1.00 5.37 N ATOM 340 CA THR A 22 5.614 4.334 -7.110 1.00 6.01 C ATOM 341 C THR A 22 4.440 3.768 -6.349 1.00 8.01 C ATOM 342 O THR A 22 3.891 2.717 -6.762 1.00 8.11 O ATOM 343 CB THR A 22 5.161 5.497 -7.908 1.00 8.92 C ATOM 344 OG1 THR A 22 4.370 5.200 -9.037 1.00 10.22 O ATOM 345 CG2 THR A 22 6.476 6.176 -8.427 1.00 9.65 C ATOM 0 H THR A 22 6.663 3.429 -8.616 1.00 5.37 H new ATOM 0 HA THR A 22 6.362 4.798 -6.467 1.00 6.01 H new ATOM 0 HB THR A 22 4.528 6.108 -7.264 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.123 6.032 -9.492 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.222 7.049 -9.029 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.085 6.486 -7.578 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.036 5.466 -9.036 1.00 9.65 H new ATOM 353 N ILE A 23 3.952 4.444 -5.289 1.00 8.32 N ATOM 354 CA ILE A 23 2.822 3.989 -4.417 1.00 9.92 C ATOM 355 C ILE A 23 1.569 3.789 -5.244 1.00 10.01 C ATOM 356 O ILE A 23 0.780 2.863 -5.081 1.00 8.71 O ATOM 357 CB ILE A 23 2.540 4.903 -3.246 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.779 5.233 -2.411 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.362 4.391 -2.387 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.405 3.958 -1.825 1.00 12.30 C ATOM 0 H ILE A 23 4.334 5.344 -4.999 1.00 8.32 H new ATOM 0 HA ILE A 23 3.139 3.040 -3.985 1.00 9.92 H new ATOM 0 HB ILE A 23 2.231 5.855 -3.678 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.512 5.750 -3.030 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.507 5.913 -1.604 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.192 5.076 -1.556 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.462 4.334 -3.000 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.599 3.401 -1.998 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.284 4.222 -1.236 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.678 3.456 -1.187 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.698 3.291 -2.636 1.00 12.30 H new ATOM 372 N GLU A 24 1.280 4.604 -6.233 1.00 9.54 N ATOM 373 CA GLU A 24 0.141 4.457 -7.123 1.00 11.81 C ATOM 374 C GLU A 24 0.037 3.075 -7.761 1.00 11.14 C ATOM 375 O GLU A 24 -1.045 2.424 -7.795 1.00 10.62 O ATOM 376 CB GLU A 24 0.313 5.538 -8.221 1.00 19.24 C ATOM 377 CG GLU A 24 -0.954 5.759 -9.008 1.00 27.76 C ATOM 378 CD GLU A 24 -0.808 6.745 -10.163 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.867 7.989 -9.985 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.551 6.205 -11.307 1.00 36.51 O ATOM 0 H GLU A 24 1.851 5.420 -6.451 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.779 4.577 -6.551 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.620 6.476 -7.759 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.112 5.240 -8.899 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.295 4.802 -9.403 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.730 6.120 -8.333 1.00 27.76 H new ATOM 387 N ASN A 25 1.204 2.559 -8.130 1.00 9.43 N ATOM 388 CA ASN A 25 1.288 1.255 -8.765 1.00 10.96 C ATOM 389 C ASN A 25 1.397 0.107 -7.753 1.00 9.68 C ATOM 390 O ASN A 25 1.167 -1.019 -8.135 1.00 9.33 O ATOM 391 CB ASN A 25 2.571 1.131 -9.688 1.00 16.78 C ATOM 392 CG ASN A 25 2.355 2.064 -10.813 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.775 1.725 -11.822 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.806 3.355 -10.741 1.00 24.70 N ATOM 0 H ASN A 25 2.102 3.025 -7.999 1.00 9.43 H new ATOM 0 HA ASN A 25 0.366 1.175 -9.341 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.475 1.388 -9.136 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.696 0.109 -10.047 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.649 3.994 -11.520 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.299 3.677 -9.908 1.00 24.70 H new ATOM 401 N VAL A 26 1.662 0.377 -6.513 1.00 6.52 N ATOM 402 CA VAL A 26 1.380 -0.495 -5.377 1.00 5.53 C ATOM 403 C VAL A 26 -0.097 -0.675 -5.128 1.00 4.42 C ATOM 404 O VAL A 26 -0.565 -1.835 -4.975 1.00 3.40 O ATOM 405 CB VAL A 26 2.167 -0.058 -4.157 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.048 -1.147 -2.987 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.690 0.037 -4.531 1.00 8.12 C ATOM 0 H VAL A 26 2.104 1.253 -6.234 1.00 6.52 H new ATOM 0 HA VAL A 26 1.729 -1.497 -5.627 1.00 5.53 H new ATOM 0 HB VAL A 26 1.769 0.901 -3.826 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.620 -0.814 -2.121 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.002 -1.267 -2.707 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.442 -2.101 -3.337 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.260 0.351 -3.657 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.044 -0.938 -4.864 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.823 0.764 -5.332 1.00 8.12 H new ATOM 417 N LYS A 27 -0.851 0.392 -5.123 1.00 2.64 N ATOM 418 CA LYS A 27 -2.318 0.412 -5.001 1.00 4.14 C ATOM 419 C LYS A 27 -3.075 -0.301 -6.135 1.00 5.58 C ATOM 420 O LYS A 27 -4.070 -0.973 -5.971 1.00 4.11 O ATOM 421 CB LYS A 27 -2.896 1.858 -4.804 1.00 3.97 C ATOM 422 CG LYS A 27 -2.394 2.579 -3.573 1.00 7.45 C ATOM 423 CD LYS A 27 -2.972 3.982 -3.545 1.00 9.02 C ATOM 424 CE LYS A 27 -2.729 4.660 -2.202 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.170 6.053 -2.214 1.00 15.47 N ATOM 0 H LYS A 27 -0.456 1.329 -5.207 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.496 -0.168 -4.095 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.651 2.455 -5.683 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.983 1.796 -4.754 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.685 2.035 -2.674 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.305 2.622 -3.581 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.524 4.577 -4.341 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.043 3.939 -3.744 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.258 4.117 -1.419 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.667 4.616 -1.959 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.677 6.580 -1.465 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.952 6.478 -3.138 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.196 6.094 -2.048 1.00 15.47 H new ATOM 439 N ALA A 28 -2.585 -0.081 -7.348 1.00 6.61 N ATOM 440 CA ALA A 28 -3.044 -0.867 -8.465 1.00 7.74 C ATOM 441 C ALA A 28 -2.708 -2.379 -8.303 1.00 9.17 C ATOM 442 O ALA A 28 -3.584 -3.243 -8.501 1.00 11.45 O ATOM 443 CB ALA A 28 -2.178 -0.510 -9.657 1.00 7.68 C ATOM 0 H ALA A 28 -1.883 0.624 -7.573 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.115 -0.683 -8.555 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.497 -1.088 -10.525 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.277 0.554 -9.873 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.136 -0.739 -9.432 1.00 7.68 H new ATOM 449 N LYS A 29 -1.523 -2.803 -7.864 1.00 8.96 N ATOM 450 CA LYS A 29 -1.263 -4.196 -7.524 1.00 7.90 C ATOM 451 C LYS A 29 -2.197 -4.768 -6.539 1.00 6.92 C ATOM 452 O LYS A 29 -2.736 -5.859 -6.699 1.00 6.87 O ATOM 453 CB LYS A 29 0.259 -4.280 -7.185 1.00 10.28 C ATOM 454 CG LYS A 29 0.822 -5.631 -7.620 1.00 14.94 C ATOM 455 CD LYS A 29 2.318 -5.842 -7.141 1.00 19.69 C ATOM 456 CE LYS A 29 3.299 -4.771 -7.585 1.00 22.63 C ATOM 457 NZ LYS A 29 3.606 -4.991 -8.992 1.00 24.98 N ATOM 0 H LYS A 29 -0.719 -2.189 -7.735 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.472 -4.858 -8.364 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.796 -3.475 -7.687 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.409 -4.143 -6.114 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.198 -6.429 -7.217 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.776 -5.708 -8.706 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.330 -5.893 -6.052 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.667 -6.807 -7.509 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.871 -3.779 -7.440 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.208 -4.816 -6.986 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.278 -4.267 -9.318 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.028 -5.934 -9.112 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.732 -4.929 -9.552 1.00 24.98 H new ATOM 471 N ILE A 30 -2.545 -3.989 -5.469 1.00 4.57 N ATOM 472 CA ILE A 30 -3.574 -4.334 -4.501 1.00 5.58 C ATOM 473 C ILE A 30 -4.979 -4.530 -5.181 1.00 7.26 C ATOM 474 O ILE A 30 -5.703 -5.442 -4.819 1.00 9.46 O ATOM 475 CB ILE A 30 -3.651 -3.395 -3.401 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.345 -3.476 -2.595 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.853 -3.711 -2.485 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.042 -2.277 -1.665 1.00 2.00 C ATOM 0 H ILE A 30 -2.096 -3.094 -5.274 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.274 -5.291 -4.075 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.789 -2.390 -3.799 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.372 -4.382 -1.989 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.516 -3.585 -3.295 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.887 -2.991 -1.668 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.776 -3.649 -3.062 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.746 -4.717 -2.078 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.097 -2.446 -1.149 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.974 -1.365 -2.258 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.842 -2.174 -0.932 1.00 2.00 H new ATOM 490 N GLN A 31 -5.354 -3.748 -6.173 1.00 7.06 N ATOM 491 CA GLN A 31 -6.569 -3.991 -6.923 1.00 8.67 C ATOM 492 C GLN A 31 -6.548 -5.413 -7.601 1.00 10.90 C ATOM 493 O GLN A 31 -7.479 -6.177 -7.511 1.00 9.63 O ATOM 494 CB GLN A 31 -6.807 -2.883 -8.001 1.00 9.12 C ATOM 495 CG GLN A 31 -8.193 -2.976 -8.622 1.00 10.76 C ATOM 496 CD GLN A 31 -8.428 -1.768 -9.502 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.514 -1.180 -10.101 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.623 -1.257 -9.630 1.00 14.76 N ATOM 0 H GLN A 31 -4.828 -2.930 -6.481 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.395 -3.960 -6.213 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.680 -1.901 -7.545 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.053 -2.971 -8.783 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.281 -3.890 -9.209 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.952 -3.025 -7.841 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.417 -1.694 -9.162 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.762 -0.421 -10.198 1.00 14.76 H new ATOM 507 N ASP A 32 -5.404 -5.844 -8.155 1.00 10.93 N ATOM 508 CA ASP A 32 -5.321 -7.163 -8.803 1.00 14.01 C ATOM 509 C ASP A 32 -5.362 -8.273 -7.744 1.00 14.04 C ATOM 510 O ASP A 32 -5.946 -9.312 -7.914 1.00 13.39 O ATOM 511 CB ASP A 32 -3.948 -7.159 -9.545 1.00 18.01 C ATOM 512 CG ASP A 32 -3.779 -8.299 -10.521 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.576 -8.382 -11.468 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.877 -9.142 -10.312 1.00 26.29 O ATOM 0 H ASP A 32 -4.536 -5.308 -8.168 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.151 -7.346 -9.485 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.837 -6.216 -10.080 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.147 -7.203 -8.807 1.00 18.01 H new ATOM 519 N LYS A 33 -4.772 -7.994 -6.561 1.00 14.22 N ATOM 520 CA LYS A 33 -4.932 -9.009 -5.478 1.00 14.00 C ATOM 521 C LYS A 33 -6.276 -9.109 -4.927 1.00 12.37 C ATOM 522 O LYS A 33 -6.797 -10.180 -4.835 1.00 12.17 O ATOM 523 CB LYS A 33 -3.983 -8.613 -4.385 1.00 18.62 C ATOM 524 CG LYS A 33 -2.461 -8.684 -4.763 1.00 24.00 C ATOM 525 CD LYS A 33 -1.914 -10.110 -4.656 1.00 27.61 C ATOM 526 CE LYS A 33 -0.473 -10.314 -5.191 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.106 -11.660 -4.893 1.00 30.06 N ATOM 0 H LYS A 33 -4.229 -7.161 -6.334 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.726 -9.990 -5.906 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.217 -7.595 -4.074 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.157 -9.257 -3.523 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.322 -8.317 -5.780 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.892 -8.026 -4.106 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.941 -10.413 -3.609 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.582 -10.779 -5.199 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.430 -10.131 -6.265 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.216 -9.613 -4.721 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.623 -11.665 -4.151 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.942 -12.182 -4.561 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.269 -12.115 -5.750 1.00 30.06 H new ATOM 541 N GLU A 34 -6.903 -7.998 -4.512 1.00 10.11 N ATOM 542 CA GLU A 34 -8.100 -7.954 -3.773 1.00 10.07 C ATOM 543 C GLU A 34 -9.319 -7.316 -4.349 1.00 9.32 C ATOM 544 O GLU A 34 -10.348 -7.422 -3.735 1.00 11.61 O ATOM 545 CB GLU A 34 -7.792 -7.189 -2.457 1.00 14.77 C ATOM 546 CG GLU A 34 -7.197 -8.089 -1.379 1.00 18.75 C ATOM 547 CD GLU A 34 -8.161 -9.247 -1.083 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.219 -9.054 -0.433 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.766 -10.433 -1.392 1.00 25.19 O ATOM 0 H GLU A 34 -6.537 -7.068 -4.714 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.374 -9.006 -3.697 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.099 -6.375 -2.668 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.710 -6.737 -2.081 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.234 -8.480 -1.708 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.014 -7.514 -0.471 1.00 18.75 H new ATOM 556 N GLY A 35 -9.223 -6.756 -5.549 1.00 7.22 N ATOM 557 CA GLY A 35 -10.454 -6.141 -6.166 1.00 6.29 C ATOM 558 C GLY A 35 -10.869 -4.691 -5.678 1.00 6.93 C ATOM 559 O GLY A 35 -12.007 -4.239 -5.868 1.00 7.41 O ATOM 0 H GLY A 35 -8.372 -6.701 -6.109 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.307 -6.104 -7.245 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.294 -6.811 -5.982 1.00 6.29 H new ATOM 563 N ILE A 36 -10.008 -3.979 -4.890 1.00 5.86 N ATOM 564 CA ILE A 36 -10.311 -2.709 -4.297 1.00 6.07 C ATOM 565 C ILE A 36 -9.708 -1.688 -5.238 1.00 6.36 C ATOM 566 O ILE A 36 -8.504 -1.737 -5.453 1.00 6.18 O ATOM 567 CB ILE A 36 -9.703 -2.482 -2.960 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.155 -3.581 -1.985 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.037 -1.116 -2.299 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.079 -3.790 -0.909 1.00 9.49 C ATOM 0 H ILE A 36 -9.070 -4.311 -4.665 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.390 -2.647 -4.153 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.629 -2.495 -3.147 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.100 -3.302 -1.519 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.329 -4.512 -2.525 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.545 -1.051 -1.329 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.685 -0.307 -2.939 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.115 -1.030 -2.165 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.401 -4.570 -0.219 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.144 -4.089 -1.383 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.927 -2.860 -0.361 1.00 9.49 H new ATOM 582 N PRO A 37 -10.477 -0.810 -5.844 1.00 8.65 N ATOM 583 CA PRO A 37 -10.044 0.471 -6.550 1.00 9.18 C ATOM 584 C PRO A 37 -9.010 1.267 -5.791 1.00 9.85 C ATOM 585 O PRO A 37 -9.207 1.399 -4.538 1.00 8.51 O ATOM 586 CB PRO A 37 -11.366 1.327 -6.694 1.00 11.42 C ATOM 587 CG PRO A 37 -12.432 0.223 -6.778 1.00 9.27 C ATOM 588 CD PRO A 37 -11.919 -0.801 -5.752 1.00 8.33 C ATOM 0 HA PRO A 37 -9.572 0.222 -7.500 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.524 1.987 -5.841 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.354 1.955 -7.585 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.424 0.594 -6.522 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.500 -0.202 -7.779 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.239 -0.531 -4.746 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.324 -1.791 -5.960 1.00 8.33 H new ATOM 596 N PRO A 38 -7.932 1.766 -6.389 1.00 8.71 N ATOM 597 CA PRO A 38 -6.909 2.502 -5.698 1.00 9.08 C ATOM 598 C PRO A 38 -7.409 3.731 -4.996 1.00 9.28 C ATOM 599 O PRO A 38 -6.716 4.202 -4.088 1.00 6.50 O ATOM 600 CB PRO A 38 -5.929 2.952 -6.878 1.00 10.31 C ATOM 601 CG PRO A 38 -5.973 1.737 -7.771 1.00 10.81 C ATOM 602 CD PRO A 38 -7.413 1.279 -7.713 1.00 12.00 C ATOM 0 HA PRO A 38 -6.460 1.890 -4.916 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.281 3.850 -7.386 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.922 3.163 -6.519 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.675 1.982 -8.790 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.295 0.960 -7.419 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.991 1.694 -8.539 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.484 0.194 -7.788 1.00 12.00 H new ATOM 610 N ASP A 39 -8.484 4.416 -5.486 1.00 11.20 N ATOM 611 CA ASP A 39 -9.156 5.565 -4.812 1.00 14.96 C ATOM 612 C ASP A 39 -9.814 5.215 -3.535 1.00 13.99 C ATOM 613 O ASP A 39 -10.038 6.044 -2.709 1.00 13.75 O ATOM 614 CB ASP A 39 -10.166 6.269 -5.775 1.00 24.16 C ATOM 615 CG ASP A 39 -9.524 6.741 -7.086 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.387 7.328 -7.109 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.165 6.506 -8.126 1.00 34.22 O ATOM 0 H ASP A 39 -8.915 4.178 -6.379 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.356 6.260 -4.557 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.980 5.581 -6.004 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.607 7.126 -5.265 1.00 24.16 H new ATOM 622 N GLN A 40 -10.133 3.927 -3.286 1.00 11.60 N ATOM 623 CA GLN A 40 -10.715 3.459 -2.053 1.00 10.76 C ATOM 624 C GLN A 40 -9.607 2.914 -1.091 1.00 8.01 C ATOM 625 O GLN A 40 -9.896 2.228 -0.090 1.00 8.96 O ATOM 626 CB GLN A 40 -11.770 2.304 -2.293 1.00 11.14 C ATOM 627 CG GLN A 40 -13.006 2.827 -3.044 1.00 14.85 C ATOM 628 CD GLN A 40 -13.988 1.763 -3.408 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.971 0.612 -2.960 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.873 2.193 -4.326 1.00 18.16 N ATOM 0 H GLN A 40 -9.981 3.182 -3.966 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.221 4.315 -1.607 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.308 1.499 -2.864 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.075 1.882 -1.336 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.506 3.573 -2.426 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.680 3.333 -3.953 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.836 3.157 -4.658 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.581 1.555 -4.690 1.00 18.16 H new ATOM 639 N GLN A 41 -8.328 3.218 -1.333 1.00 6.52 N ATOM 640 CA GLN A 41 -7.261 2.616 -0.524 1.00 3.87 C ATOM 641 C GLN A 41 -6.482 3.675 0.147 1.00 4.79 C ATOM 642 O GLN A 41 -5.989 4.653 -0.423 1.00 6.34 O ATOM 643 CB GLN A 41 -6.293 1.852 -1.506 1.00 4.20 C ATOM 644 CG GLN A 41 -6.835 0.580 -2.142 1.00 3.20 C ATOM 645 CD GLN A 41 -5.777 0.007 -3.024 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.633 0.061 -2.741 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.159 -0.511 -4.175 1.00 7.13 N ATOM 0 H GLN A 41 -8.011 3.858 -2.061 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.692 1.949 0.223 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.007 2.537 -2.304 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.384 1.600 -0.961 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.117 -0.138 -1.372 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.733 0.798 -2.720 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.150 -0.554 -4.411 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.463 -0.869 -4.829 1.00 7.13 H new ATOM 656 N ARG A 42 -6.302 3.509 1.510 1.00 5.73 N ATOM 657 CA ARG A 42 -5.477 4.356 2.390 1.00 6.97 C ATOM 658 C ARG A 42 -4.401 3.414 2.950 1.00 7.15 C ATOM 659 O ARG A 42 -4.727 2.428 3.637 1.00 7.33 O ATOM 660 CB ARG A 42 -6.347 4.987 3.470 1.00 13.23 C ATOM 661 CG ARG A 42 -5.561 5.465 4.707 1.00 21.27 C ATOM 662 CD ARG A 42 -6.456 5.993 5.818 1.00 26.14 C ATOM 663 NE ARG A 42 -6.945 7.362 5.452 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.225 7.686 5.173 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.273 6.860 5.373 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.615 8.855 4.641 1.00 36.39 N ATOM 0 H ARG A 42 -6.753 2.749 2.019 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.011 5.195 1.874 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.882 5.835 3.042 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.098 4.263 3.787 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.964 4.638 5.092 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.865 6.248 4.407 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.301 5.321 5.970 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.905 6.030 6.758 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.253 8.110 5.410 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.121 5.927 5.757 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.217 7.168 5.140 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.923 9.571 4.420 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.604 9.028 4.458 1.00 36.39 H new ATOM 680 N LEU A 43 -3.168 3.611 2.567 1.00 4.65 N ATOM 681 CA LEU A 43 -2.065 2.837 3.089 1.00 3.51 C ATOM 682 C LEU A 43 -1.417 3.524 4.309 1.00 5.56 C ATOM 683 O LEU A 43 -1.061 4.699 4.350 1.00 4.19 O ATOM 684 CB LEU A 43 -0.968 2.660 2.018 1.00 3.74 C ATOM 685 CG LEU A 43 -1.386 1.868 0.759 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.276 1.725 -0.328 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.977 0.481 1.065 1.00 6.41 C ATOM 0 H LEU A 43 -2.895 4.315 1.881 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.475 1.871 3.384 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.626 3.647 1.707 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.116 2.157 2.476 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.171 2.499 0.343 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.664 1.154 -1.172 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.029 2.714 -0.669 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.584 1.206 0.096 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.246 -0.014 0.132 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.238 -0.121 1.594 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.866 0.593 1.686 1.00 6.41 H new ATOM 699 N ILE A 44 -1.208 2.700 5.392 1.00 4.58 N ATOM 700 CA ILE A 44 -0.607 3.099 6.671 1.00 5.55 C ATOM 701 C ILE A 44 0.665 2.306 6.870 1.00 5.46 C ATOM 702 O ILE A 44 0.642 1.097 6.825 1.00 6.04 O ATOM 703 CB ILE A 44 -1.550 2.899 7.833 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.901 3.452 7.535 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.881 3.449 9.101 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.960 4.974 7.338 1.00 13.90 C ATOM 0 H ILE A 44 -1.469 1.714 5.375 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.386 4.166 6.636 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.739 1.840 8.010 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.281 2.971 6.634 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.574 3.182 8.349 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.548 3.313 9.952 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.051 2.914 9.282 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.671 4.511 8.970 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.986 5.274 7.126 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.616 5.472 8.245 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.320 5.258 6.503 1.00 13.90 H new ATOM 718 N PHE A 45 1.843 2.901 7.037 1.00 6.75 N ATOM 719 CA PHE A 45 3.029 2.213 7.404 1.00 4.70 C ATOM 720 C PHE A 45 3.761 2.900 8.523 1.00 6.34 C ATOM 721 O PHE A 45 3.886 4.142 8.535 1.00 5.45 O ATOM 722 CB PHE A 45 4.000 2.038 6.166 1.00 5.51 C ATOM 723 CG PHE A 45 5.311 1.359 6.526 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.496 0.005 6.923 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.474 2.159 6.644 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.726 -0.477 7.262 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.729 1.691 6.857 1.00 6.64 C ATOM 728 CZ PHE A 45 7.844 0.305 7.149 1.00 6.84 C ATOM 0 H PHE A 45 1.979 3.904 6.912 1.00 6.75 H new ATOM 0 HA PHE A 45 2.716 1.230 7.755 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.495 1.454 5.396 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.211 3.017 5.737 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.643 -0.656 6.957 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.351 3.229 6.557 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.819 -1.490 7.625 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.594 2.336 6.807 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.821 -0.135 7.283 1.00 6.84 H new ATOM 738 N ALA A 46 4.110 2.162 9.570 1.00 6.53 N ATOM 739 CA ALA A 46 4.654 2.644 10.816 1.00 7.15 C ATOM 740 C ALA A 46 3.813 3.794 11.397 1.00 9.00 C ATOM 741 O ALA A 46 4.375 4.833 11.853 1.00 11.15 O ATOM 742 CB ALA A 46 6.087 3.038 10.547 1.00 8.99 C ATOM 0 H ALA A 46 4.011 1.147 9.562 1.00 6.53 H new ATOM 0 HA ALA A 46 4.625 1.868 11.581 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.541 3.410 11.466 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.643 2.170 10.194 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.113 3.819 9.787 1.00 8.99 H new ATOM 748 N GLY A 47 2.497 3.610 11.381 1.00 9.35 N ATOM 749 CA GLY A 47 1.439 4.564 11.830 1.00 11.68 C ATOM 750 C GLY A 47 1.225 5.655 10.866 1.00 11.14 C ATOM 751 O GLY A 47 0.323 6.478 10.969 1.00 13.93 O ATOM 0 H GLY A 47 2.094 2.739 11.035 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.504 4.023 11.977 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.719 4.985 12.796 1.00 11.68 H new ATOM 755 N LYS A 48 1.970 5.748 9.781 1.00 10.47 N ATOM 756 CA LYS A 48 2.023 6.906 8.912 1.00 8.82 C ATOM 757 C LYS A 48 1.607 6.684 7.466 1.00 7.68 C ATOM 758 O LYS A 48 1.970 5.709 6.837 1.00 6.47 O ATOM 759 CB LYS A 48 3.406 7.567 8.977 1.00 9.74 C ATOM 760 CG LYS A 48 3.493 8.903 8.185 1.00 14.14 C ATOM 761 CD LYS A 48 4.865 9.590 8.335 1.00 16.32 C ATOM 762 CE LYS A 48 4.878 11.007 7.679 1.00 20.04 C ATOM 763 NZ LYS A 48 6.256 11.606 7.802 1.00 23.92 N ATOM 0 H LYS A 48 2.577 4.990 9.470 1.00 10.47 H new ATOM 0 HA LYS A 48 1.258 7.572 9.311 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.662 7.755 10.020 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.150 6.873 8.586 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.301 8.709 7.130 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.712 9.579 8.532 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.115 9.677 9.392 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.634 8.970 7.876 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.593 10.936 6.629 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.145 11.651 8.165 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.265 12.550 7.365 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.511 11.687 8.807 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.945 10.995 7.319 1.00 23.92 H new ATOM 777 N GLN A 49 0.827 7.627 6.844 1.00 8.89 N ATOM 778 CA GLN A 49 0.208 7.322 5.543 1.00 7.18 C ATOM 779 C GLN A 49 1.093 7.520 4.351 1.00 8.23 C ATOM 780 O GLN A 49 1.939 8.366 4.385 1.00 9.70 O ATOM 781 CB GLN A 49 -1.037 8.196 5.244 1.00 11.67 C ATOM 782 CG GLN A 49 -2.060 7.823 4.167 1.00 15.82 C ATOM 783 CD GLN A 49 -3.314 8.657 4.285 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.153 8.493 5.142 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.491 9.597 3.303 1.00 20.67 N ATOM 0 H GLN A 49 0.628 8.557 7.214 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.035 6.267 5.666 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.588 8.287 6.180 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.668 9.191 4.994 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.619 7.964 3.180 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.314 6.767 4.255 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.777 9.726 2.586 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.337 10.167 3.289 1.00 20.67 H new ATOM 794 N LEU A 50 0.874 6.809 3.240 1.00 6.51 N ATOM 795 CA LEU A 50 1.726 6.896 2.049 1.00 7.41 C ATOM 796 C LEU A 50 0.968 7.700 1.019 1.00 8.27 C ATOM 797 O LEU A 50 -0.193 7.482 0.730 1.00 8.34 O ATOM 798 CB LEU A 50 2.008 5.490 1.476 1.00 7.13 C ATOM 799 CG LEU A 50 2.623 4.379 2.478 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.807 3.052 1.642 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.863 4.760 3.270 1.00 9.11 C ATOM 0 H LEU A 50 0.098 6.155 3.141 1.00 6.51 H new ATOM 0 HA LEU A 50 2.679 7.359 2.304 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.074 5.098 1.074 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.695 5.601 0.637 1.00 7.13 H new ATOM 0 HG LEU A 50 1.908 4.253 3.291 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.221 2.273 2.282 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.840 2.728 1.256 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.486 3.237 0.810 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.165 3.922 3.899 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.672 5.008 2.583 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.643 5.624 3.897 1.00 9.11 H new ATOM 813 N GLU A 51 1.696 8.566 0.313 1.00 9.43 N ATOM 814 CA GLU A 51 1.250 9.452 -0.708 1.00 11.90 C ATOM 815 C GLU A 51 1.642 8.996 -2.098 1.00 11.49 C ATOM 816 O GLU A 51 2.651 8.357 -2.313 1.00 9.88 O ATOM 817 CB GLU A 51 1.757 10.869 -0.452 1.00 16.56 C ATOM 818 CG GLU A 51 1.436 11.855 -1.574 1.00 26.06 C ATOM 819 CD GLU A 51 2.129 13.192 -1.380 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.917 13.868 -0.350 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.931 13.510 -2.298 1.00 33.44 O ATOM 0 H GLU A 51 2.699 8.656 0.473 1.00 9.43 H new ATOM 0 HA GLU A 51 0.161 9.446 -0.668 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.322 11.237 0.477 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.837 10.837 -0.308 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.739 11.426 -2.529 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.358 12.010 -1.621 1.00 26.06 H new ATOM 828 N ASP A 52 0.729 9.169 -3.082 1.00 12.71 N ATOM 829 CA ASP A 52 0.656 8.330 -4.320 1.00 16.56 C ATOM 830 C ASP A 52 1.841 8.346 -5.210 1.00 15.83 C ATOM 831 O ASP A 52 2.284 7.331 -5.774 1.00 17.21 O ATOM 832 CB ASP A 52 -0.624 8.738 -5.081 1.00 21.05 C ATOM 833 CG ASP A 52 -1.841 8.377 -4.283 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.253 7.212 -4.418 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.382 9.261 -3.614 1.00 28.37 O ATOM 0 H ASP A 52 0.015 9.896 -3.047 1.00 12.71 H new ATOM 0 HA ASP A 52 0.632 7.292 -3.989 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.613 9.810 -5.276 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.654 8.239 -6.049 1.00 21.05 H new ATOM 840 N GLY A 53 2.366 9.636 -5.316 1.00 15.00 N ATOM 841 CA GLY A 53 3.396 9.932 -6.337 1.00 11.77 C ATOM 842 C GLY A 53 4.797 9.679 -5.718 1.00 11.10 C ATOM 843 O GLY A 53 5.806 9.820 -6.406 1.00 11.25 O ATOM 0 H GLY A 53 2.094 10.426 -4.731 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.251 9.301 -7.214 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.311 10.966 -6.670 1.00 11.77 H new ATOM 847 N ARG A 54 4.933 9.356 -4.430 1.00 8.53 N ATOM 848 CA ARG A 54 6.184 8.944 -3.784 1.00 9.05 C ATOM 849 C ARG A 54 6.520 7.503 -4.185 1.00 8.96 C ATOM 850 O ARG A 54 5.812 6.755 -4.870 1.00 11.60 O ATOM 851 CB ARG A 54 6.027 8.932 -2.251 1.00 7.97 C ATOM 852 CG ARG A 54 5.372 10.264 -1.694 1.00 9.62 C ATOM 853 CD ARG A 54 6.343 11.438 -1.567 1.00 12.20 C ATOM 854 NE ARG A 54 5.433 12.572 -1.303 1.00 18.23 N ATOM 855 CZ ARG A 54 5.742 13.571 -0.516 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.924 13.633 0.103 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.831 14.519 -0.322 1.00 23.38 N ATOM 0 H ARG A 54 4.145 9.375 -3.782 1.00 8.53 H new ATOM 0 HA ARG A 54 6.958 9.646 -4.092 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.413 8.080 -1.959 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.005 8.792 -1.791 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.553 10.555 -2.352 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.938 10.060 -0.715 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.055 11.291 -0.755 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.924 11.586 -2.478 1.00 12.20 H new ATOM 0 HE ARG A 54 4.519 12.576 -1.756 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.610 12.891 -0.033 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.140 14.423 0.711 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.922 14.455 -0.781 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.041 15.311 0.286 1.00 23.38 H new ATOM 871 N THR A 55 7.684 6.976 -3.711 1.00 9.05 N ATOM 872 CA THR A 55 8.067 5.569 -3.886 1.00 9.03 C ATOM 873 C THR A 55 8.082 4.881 -2.559 1.00 8.15 C ATOM 874 O THR A 55 8.098 5.561 -1.524 1.00 5.91 O ATOM 875 CB THR A 55 9.423 5.342 -4.593 1.00 11.15 C ATOM 876 OG1 THR A 55 10.555 5.864 -3.984 1.00 11.95 O ATOM 877 CG2 THR A 55 9.332 6.008 -6.052 1.00 11.71 C ATOM 0 H THR A 55 8.374 7.525 -3.199 1.00 9.05 H new ATOM 0 HA THR A 55 7.312 5.146 -4.549 1.00 9.03 H new ATOM 0 HB THR A 55 9.559 4.261 -4.579 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.302 6.627 -3.423 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.276 5.864 -6.577 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.527 5.538 -6.617 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.131 7.075 -5.953 1.00 11.71 H new ATOM 885 N LEU A 56 8.220 3.536 -2.519 1.00 6.91 N ATOM 886 CA LEU A 56 8.393 2.706 -1.334 1.00 8.29 C ATOM 887 C LEU A 56 9.670 3.111 -0.650 1.00 8.05 C ATOM 888 O LEU A 56 9.673 3.218 0.581 1.00 10.17 O ATOM 889 CB LEU A 56 8.418 1.153 -1.604 1.00 6.60 C ATOM 890 CG LEU A 56 7.047 0.675 -2.115 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.283 -0.615 -2.926 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.960 0.400 -1.041 1.00 8.64 C ATOM 0 H LEU A 56 8.211 2.979 -3.374 1.00 6.91 H new ATOM 0 HA LEU A 56 7.515 2.878 -0.711 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.189 0.917 -2.338 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.677 0.622 -0.688 1.00 6.60 H new ATOM 0 HG LEU A 56 6.643 1.501 -2.700 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.331 -0.985 -3.306 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.949 -0.402 -3.762 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.736 -1.371 -2.284 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.042 0.070 -1.528 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.309 -0.377 -0.360 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.764 1.313 -0.479 1.00 8.64 H new ATOM 904 N SER A 57 10.701 3.533 -1.421 1.00 8.92 N ATOM 905 CA SER A 57 11.950 4.023 -0.790 1.00 9.00 C ATOM 906 C SER A 57 11.772 5.141 0.153 1.00 9.44 C ATOM 907 O SER A 57 12.321 5.032 1.244 1.00 10.91 O ATOM 908 CB SER A 57 12.916 4.407 -1.949 1.00 10.32 C ATOM 909 OG SER A 57 14.223 4.569 -1.457 1.00 13.59 O ATOM 0 H SER A 57 10.697 3.545 -2.441 1.00 8.92 H new ATOM 0 HA SER A 57 12.354 3.227 -0.165 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.902 3.633 -2.716 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.580 5.330 -2.422 1.00 10.32 H new ATOM 0 HG SER A 57 14.823 4.809 -2.194 1.00 13.59 H new ATOM 915 N ASP A 58 10.988 6.230 -0.211 1.00 9.11 N ATOM 916 CA ASP A 58 10.772 7.471 0.522 1.00 7.91 C ATOM 917 C ASP A 58 10.429 7.304 2.014 1.00 9.12 C ATOM 918 O ASP A 58 10.821 8.093 2.907 1.00 8.61 O ATOM 919 CB ASP A 58 9.623 8.305 -0.126 1.00 8.41 C ATOM 920 CG ASP A 58 9.784 8.736 -1.581 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.029 7.843 -2.451 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.655 9.896 -1.978 1.00 10.05 O ATOM 0 H ASP A 58 10.471 6.225 -1.090 1.00 9.11 H new ATOM 0 HA ASP A 58 11.736 7.977 0.462 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.704 7.724 -0.050 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.483 9.203 0.475 1.00 8.41 H new ATOM 927 N TYR A 59 9.628 6.236 2.278 1.00 7.97 N ATOM 928 CA TYR A 59 9.002 6.008 3.579 1.00 8.45 C ATOM 929 C TYR A 59 9.825 5.008 4.347 1.00 10.98 C ATOM 930 O TYR A 59 9.355 4.427 5.316 1.00 12.95 O ATOM 931 CB TYR A 59 7.602 5.524 3.272 1.00 7.94 C ATOM 932 CG TYR A 59 6.700 6.703 2.939 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.168 7.510 3.960 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.415 6.980 1.628 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.404 8.630 3.651 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.501 8.033 1.288 1.00 6.52 C ATOM 937 CZ TYR A 59 5.091 8.878 2.289 1.00 6.76 C ATOM 938 OH TYR A 59 4.274 9.949 1.857 1.00 7.63 O ATOM 0 H TYR A 59 9.408 5.519 1.586 1.00 7.97 H new ATOM 0 HA TYR A 59 8.949 6.898 4.206 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.626 4.827 2.434 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.201 4.980 4.128 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.354 7.258 4.993 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.882 6.402 0.844 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.057 9.295 4.428 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.147 8.157 0.275 1.00 6.52 H new ATOM 0 HH TYR A 59 4.824 10.612 1.389 1.00 7.63 H new ATOM 948 N ASN A 60 11.066 4.725 3.865 1.00 12.38 N ATOM 949 CA ASN A 60 12.018 3.746 4.343 1.00 13.94 C ATOM 950 C ASN A 60 11.439 2.352 4.441 1.00 14.16 C ATOM 951 O ASN A 60 11.708 1.603 5.421 1.00 14.26 O ATOM 952 CB ASN A 60 12.808 4.191 5.613 1.00 19.23 C ATOM 953 CG ASN A 60 13.422 5.560 5.379 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.173 5.798 4.422 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.330 6.431 6.372 1.00 24.09 N ATOM 0 H ASN A 60 11.435 5.234 3.062 1.00 12.38 H new ATOM 0 HA ASN A 60 12.778 3.689 3.564 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.142 4.223 6.475 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.589 3.465 5.840 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.875 7.293 6.347 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.714 6.240 7.162 1.00 24.09 H new ATOM 962 N ILE A 61 10.812 1.810 3.361 1.00 11.08 N ATOM 963 CA ILE A 61 10.183 0.552 3.377 1.00 11.78 C ATOM 964 C ILE A 61 11.148 -0.569 3.001 1.00 13.74 C ATOM 965 O ILE A 61 12.117 -0.343 2.249 1.00 14.60 O ATOM 966 CB ILE A 61 8.943 0.487 2.590 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.830 1.359 3.240 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.348 -0.914 2.525 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.741 1.797 2.273 1.00 11.42 C ATOM 0 H ILE A 61 10.754 2.282 2.459 1.00 11.08 H new ATOM 0 HA ILE A 61 9.875 0.401 4.412 1.00 11.78 H new ATOM 0 HB ILE A 61 9.229 0.831 1.596 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.373 0.798 4.055 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.288 2.245 3.680 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.435 -0.894 1.930 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.066 -1.593 2.065 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.117 -1.258 3.533 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.004 2.400 2.804 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.183 2.387 1.470 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.254 0.918 1.851 1.00 11.42 H new ATOM 981 N GLN A 62 11.044 -1.710 3.721 1.00 13.97 N ATOM 982 CA GLN A 62 12.136 -2.630 3.885 1.00 15.52 C ATOM 983 C GLN A 62 11.657 -3.914 3.313 1.00 13.94 C ATOM 984 O GLN A 62 10.456 -4.100 3.183 1.00 12.15 O ATOM 985 CB GLN A 62 12.506 -2.846 5.332 1.00 19.53 C ATOM 986 CG GLN A 62 13.108 -1.613 5.984 1.00 26.38 C ATOM 987 CD GLN A 62 12.649 -1.383 7.434 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.482 -0.879 8.180 1.00 33.23 O ATOM 989 NE2 GLN A 62 11.339 -1.517 7.810 1.00 32.71 N ATOM 0 H GLN A 62 10.188 -1.997 4.196 1.00 13.97 H new ATOM 0 HA GLN A 62 13.028 -2.238 3.395 1.00 15.52 H new ATOM 0 HB2 GLN A 62 11.617 -3.146 5.887 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.217 -3.669 5.400 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.194 -1.700 5.967 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.849 -0.737 5.389 1.00 26.38 H new ATOM 0 HE21 GLN A 62 10.666 -1.940 7.171 1.00 32.71 H new ATOM 0 HE22 GLN A 62 11.037 -1.194 8.729 1.00 32.71 H new ATOM 998 N LYS A 63 12.580 -4.825 2.891 1.00 11.73 N ATOM 999 CA LYS A 63 12.185 -6.183 2.533 1.00 11.97 C ATOM 1000 C LYS A 63 11.349 -6.917 3.596 1.00 10.41 C ATOM 1001 O LYS A 63 11.743 -6.930 4.752 1.00 9.59 O ATOM 1002 CB LYS A 63 13.474 -6.951 2.161 1.00 13.73 C ATOM 1003 CG LYS A 63 13.326 -8.426 1.853 1.00 16.98 C ATOM 1004 CD LYS A 63 14.563 -9.129 1.177 1.00 20.19 C ATOM 1005 CE LYS A 63 15.846 -8.905 1.915 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.847 -9.504 3.253 1.00 25.97 N ATOM 0 H LYS A 63 13.577 -4.632 2.798 1.00 11.73 H new ATOM 0 HA LYS A 63 11.501 -6.131 1.686 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.920 -6.466 1.293 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.182 -6.845 2.983 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.103 -8.948 2.783 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.462 -8.554 1.201 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.372 -10.200 1.110 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.669 -8.760 0.157 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.670 -9.321 1.336 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.027 -7.834 2.002 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.759 -9.317 3.716 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.080 -9.089 3.820 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.703 -10.531 3.174 1.00 25.97 H new ATOM 1020 N GLU A 64 10.201 -7.463 3.225 1.00 10.04 N ATOM 1021 CA GLU A 64 9.343 -8.311 4.069 1.00 10.94 C ATOM 1022 C GLU A 64 8.838 -7.492 5.284 1.00 9.74 C ATOM 1023 O GLU A 64 8.532 -8.060 6.340 1.00 9.42 O ATOM 1024 CB GLU A 64 10.148 -9.608 4.470 1.00 18.31 C ATOM 1025 CG GLU A 64 10.408 -10.586 3.281 1.00 24.16 C ATOM 1026 CD GLU A 64 11.127 -11.851 3.645 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.324 -11.835 4.046 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.471 -12.923 3.479 1.00 31.72 O ATOM 0 H GLU A 64 9.817 -7.327 2.290 1.00 10.04 H new ATOM 0 HA GLU A 64 8.454 -8.639 3.530 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.105 -9.311 4.899 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.600 -10.137 5.249 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.451 -10.847 2.829 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.987 -10.063 2.520 1.00 24.16 H new ATOM 1035 N SER A 65 8.639 -6.114 5.095 1.00 6.85 N ATOM 1036 CA SER A 65 7.885 -5.229 5.972 1.00 6.90 C ATOM 1037 C SER A 65 6.378 -5.527 6.001 1.00 4.72 C ATOM 1038 O SER A 65 5.854 -6.041 5.030 1.00 3.91 O ATOM 1039 CB SER A 65 8.017 -3.688 5.620 1.00 7.28 C ATOM 1040 OG SER A 65 9.370 -3.382 5.705 1.00 10.56 O ATOM 0 H SER A 65 9.030 -5.622 4.291 1.00 6.85 H new ATOM 0 HA SER A 65 8.342 -5.433 6.940 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.634 -3.484 4.620 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.437 -3.080 6.314 1.00 7.28 H new ATOM 0 HG SER A 65 9.836 -3.738 4.920 1.00 10.56 H new ATOM 1046 N THR A 66 5.689 -5.163 7.131 1.00 4.48 N ATOM 1047 CA THR A 66 4.229 -5.172 7.236 1.00 3.80 C ATOM 1048 C THR A 66 3.726 -3.807 7.003 1.00 4.60 C ATOM 1049 O THR A 66 3.839 -2.837 7.792 1.00 5.33 O ATOM 1050 CB THR A 66 3.512 -5.605 8.569 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.986 -6.893 8.949 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.999 -5.664 8.334 1.00 3.40 C ATOM 0 H THR A 66 6.153 -4.857 7.986 1.00 4.48 H new ATOM 0 HA THR A 66 3.992 -5.948 6.508 1.00 3.80 H new ATOM 0 HB THR A 66 3.727 -4.885 9.359 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.547 -7.171 9.780 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.499 -5.964 9.255 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.640 -4.681 8.029 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.781 -6.389 7.550 1.00 3.40 H new ATOM 1060 N LEU A 67 3.013 -3.626 5.906 1.00 4.17 N ATOM 1061 CA LEU A 67 2.283 -2.448 5.446 1.00 3.85 C ATOM 1062 C LEU A 67 0.804 -2.689 5.842 1.00 3.80 C ATOM 1063 O LEU A 67 0.387 -3.845 5.942 1.00 5.54 O ATOM 1064 CB LEU A 67 2.345 -2.341 3.857 1.00 7.18 C ATOM 1065 CG LEU A 67 3.576 -1.642 3.232 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.898 -2.374 3.547 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.340 -1.418 1.727 1.00 11.66 C ATOM 0 H LEU A 67 2.918 -4.388 5.235 1.00 4.17 H new ATOM 0 HA LEU A 67 2.704 -1.540 5.878 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.290 -3.351 3.450 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.453 -1.813 3.521 1.00 7.18 H new ATOM 0 HG LEU A 67 3.692 -0.662 3.696 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.728 -1.841 3.084 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.046 -2.410 4.626 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.854 -3.389 3.153 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.210 -0.926 1.292 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.183 -2.379 1.236 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.460 -0.791 1.586 1.00 11.66 H new ATOM 1079 N HIS A 68 0.018 -1.645 6.087 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.335 -1.742 6.516 1.00 4.17 C ATOM 1081 C HIS A 68 -2.121 -1.081 5.410 1.00 5.32 C ATOM 1082 O HIS A 68 -1.603 -0.155 4.704 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.493 -1.236 7.933 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.881 -2.125 8.942 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.452 -3.233 9.544 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.278 -1.924 9.618 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.638 -3.678 10.535 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.434 -2.923 10.619 1.00 16.30 N ATOM 0 H HIS A 68 0.337 -0.682 5.982 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.727 -2.752 6.633 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.043 -0.246 8.010 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.554 -1.122 8.155 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.978 -1.125 9.425 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.842 -4.531 11.165 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.215 -3.031 11.266 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.320 -1.637 5.138 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.253 -1.130 4.265 1.00 3.97 C ATOM 1098 C LEU A 69 -5.485 -0.781 5.117 1.00 5.07 C ATOM 1099 O LEU A 69 -5.986 -1.487 6.023 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.597 -2.109 3.104 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.798 -1.711 2.262 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.693 -0.377 1.499 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.024 -2.831 1.222 1.00 9.96 C ATOM 0 H LEU A 69 -3.626 -2.504 5.579 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.860 -0.249 3.758 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.728 -2.195 2.452 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.779 -3.098 3.525 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.617 -1.572 2.968 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.611 -0.206 0.937 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.545 0.437 2.208 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.848 -0.417 0.811 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.881 -2.580 0.597 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.137 -2.932 0.597 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.214 -3.773 1.737 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.049 0.461 4.836 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.378 0.853 5.333 1.00 6.26 C ATOM 1117 C VAL A 70 -8.235 1.117 4.088 1.00 9.22 C ATOM 1118 O VAL A 70 -7.793 1.729 3.124 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.450 2.055 6.324 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.727 1.904 7.144 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.226 2.024 7.236 1.00 8.54 C ATOM 0 H VAL A 70 -5.587 1.176 4.274 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.739 0.034 5.955 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.461 3.005 5.791 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.807 2.732 7.849 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.590 1.910 6.478 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.698 0.962 7.692 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.269 2.862 7.932 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.212 1.088 7.795 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.321 2.100 6.633 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.501 0.648 4.170 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.479 0.971 3.138 1.00 16.06 C ATOM 1133 C LEU A 71 -11.064 2.335 3.433 1.00 18.09 C ATOM 1134 O LEU A 71 -11.605 2.628 4.510 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.684 -0.090 3.255 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.533 -0.357 2.003 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.501 0.755 1.620 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.713 -0.867 0.827 1.00 19.57 C ATOM 0 H LEU A 71 -9.852 0.059 4.926 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.011 0.950 2.154 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.262 -1.040 3.581 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.353 0.250 4.046 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.189 -1.174 2.304 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.051 0.466 0.724 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.202 0.924 2.437 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.944 1.671 1.424 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.368 -1.037 -0.027 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.957 -0.128 0.563 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.225 -1.802 1.102 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.975 3.145 2.386 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.246 4.534 2.462 1.00 25.83 C ATOM 1152 C ARG A 72 -12.578 4.820 1.731 1.00 27.74 C ATOM 1153 O ARG A 72 -12.721 4.606 0.527 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.139 5.351 1.775 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.312 6.868 1.794 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.410 7.568 0.798 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.865 9.002 0.634 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.150 9.851 -0.104 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.070 9.434 -0.761 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.496 11.122 -0.236 1.00 35.02 N ATOM 0 H ARG A 72 -10.706 2.828 1.454 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.299 4.819 3.513 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.189 5.108 2.250 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.068 5.027 0.737 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.351 7.115 1.574 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.101 7.242 2.796 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.376 7.539 1.143 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.440 7.053 -0.162 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.721 9.320 1.089 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.783 8.457 -0.702 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.530 10.091 -1.323 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.330 11.475 0.234 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.929 11.748 -0.808 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.582 5.372 2.458 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.859 5.887 1.947 1.00 30.76 C ATOM 1176 C LEU A 73 -14.784 7.388 1.869 1.00 32.18 C ATOM 1177 O LEU A 73 -13.860 8.036 2.328 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.080 5.321 2.760 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.242 3.805 2.808 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.595 3.488 3.619 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.448 3.209 1.384 1.00 29.11 C ATOM 0 H LEU A 73 -13.509 5.471 3.471 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.037 5.529 0.933 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.002 5.685 3.784 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.992 5.745 2.340 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.348 3.378 3.263 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.743 2.409 3.673 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.518 3.895 4.627 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.442 3.945 3.107 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.560 2.127 1.455 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.344 3.638 0.936 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.584 3.444 0.763 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.815 8.025 1.251 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.791 9.458 1.081 1.00 35.33 C ATOM 1195 C ARG A 74 -15.877 10.315 2.319 1.00 36.22 C ATOM 1196 O ARG A 74 -15.417 11.490 2.394 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.945 9.854 0.071 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.942 9.430 -1.388 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.687 9.815 -2.184 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.006 9.095 -3.470 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.123 9.019 -4.516 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.910 9.433 -4.232 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.435 8.600 -5.711 1.00 41.93 N ATOM 0 H ARG A 74 -16.643 7.560 0.879 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.791 9.676 0.706 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.875 9.482 0.501 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.004 10.942 0.078 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.063 8.348 -1.434 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.811 9.869 -1.878 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.584 10.892 -2.317 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.767 9.462 -1.719 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.917 8.646 -3.566 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.694 9.774 -3.295 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.184 9.414 -4.948 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.389 8.302 -5.914 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.725 8.570 -6.443 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.458 9.719 3.426 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.619 10.434 4.696 1.00 36.07 C ATOM 1219 C GLY A 75 -15.428 10.470 5.618 1.00 36.16 C ATOM 1220 O GLY A 75 -15.482 11.119 6.651 1.00 36.26 O ATOM 0 H GLY A 75 -16.808 8.761 3.437 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.905 11.462 4.472 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.451 9.982 5.236 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.265 9.832 5.279 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.095 9.819 6.116 1.00 36.19 C ATOM 1226 C GLY A 76 -11.879 9.264 5.305 1.00 36.20 C ATOM 1227 O GLY A 76 -11.071 10.129 4.846 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.749 8.047 5.072 1.00 0.00 O ATOM 0 H GLY A 76 -14.147 9.319 4.405 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.879 10.826 6.472 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.271 9.201 6.996 1.00 36.19 H new TER 1232 GLY A 76