USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 7 THR OG1 : rot 118:sc= 0.0384 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.477 (180deg=0.334) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00196) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.17 (180deg=-0.465!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 46:sc= 0.357 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 25 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 1.19 (180deg=0.481) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.66) USER MOD Single : A 31 GLN : amide:sc= -0.404 K(o=-0.4,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -56:sc= 0.993 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -170:sc= 0.503 USER MOD Single : A 60 ASN : amide:sc=-0.00479 X(o=-0.0048,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 180:sc= 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 -12.865 5.189 -2.699 1.00 9.67 N ATOM 2 CA MET A 1 -12.383 5.437 -1.322 1.00 10.38 C ATOM 3 C MET A 1 -10.917 5.703 -1.356 1.00 9.62 C ATOM 4 O MET A 1 -10.222 5.260 -2.269 1.00 9.62 O ATOM 5 CB MET A 1 -12.704 4.149 -0.546 1.00 13.77 C ATOM 6 CG MET A 1 -12.079 2.784 -0.838 1.00 16.29 C ATOM 7 SD MET A 1 -12.545 1.438 0.291 1.00 17.17 S ATOM 8 CE MET A 1 -10.916 0.887 0.874 1.00 16.11 C ATOM 0 H1 MET A 1 -13.773 4.683 -2.663 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.994 6.096 -3.190 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.168 4.613 -3.212 1.00 9.67 H new ATOM 0 HA MET A 1 -12.853 6.302 -0.853 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.485 4.364 0.500 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.782 4.010 -0.624 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.351 2.491 -1.852 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.994 2.891 -0.817 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.041 0.063 1.576 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.319 0.553 0.025 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.409 1.714 1.371 1.00 16.11 H new ATOM 20 N GLN A 2 -10.387 6.512 -0.422 1.00 9.27 N ATOM 21 CA GLN A 2 -9.052 7.026 -0.398 1.00 9.07 C ATOM 22 C GLN A 2 -8.519 6.332 0.809 1.00 8.72 C ATOM 23 O GLN A 2 -9.186 6.038 1.800 1.00 8.22 O ATOM 24 CB GLN A 2 -8.934 8.559 -0.367 1.00 14.46 C ATOM 25 CG GLN A 2 -9.068 9.157 -1.769 1.00 17.01 C ATOM 26 CD GLN A 2 -8.813 10.654 -1.671 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.511 11.229 -0.626 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.886 11.351 -2.837 1.00 19.49 N ATOM 0 H GLN A 2 -10.934 6.831 0.377 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.491 6.832 -1.312 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.706 8.972 0.282 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.973 8.843 0.061 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.355 8.693 -2.450 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.063 8.966 -2.171 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.136 10.873 -3.702 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.690 12.352 -2.846 1.00 19.49 H new ATOM 37 N ILE A 3 -7.233 5.947 0.740 1.00 5.87 N ATOM 38 CA ILE A 3 -6.448 5.451 1.828 1.00 5.07 C ATOM 39 C ILE A 3 -5.290 6.366 2.026 1.00 4.01 C ATOM 40 O ILE A 3 -4.924 7.187 1.186 1.00 4.61 O ATOM 41 CB ILE A 3 -5.946 4.047 1.661 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.407 3.824 0.238 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.142 3.177 2.079 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.721 2.458 0.216 1.00 10.83 C ATOM 0 H ILE A 3 -6.707 5.985 -0.133 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.109 5.421 2.694 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.082 3.792 2.275 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.218 3.857 -0.489 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.703 4.611 -0.033 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.874 2.124 1.991 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.410 3.399 3.112 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.992 3.391 1.430 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.325 2.266 -0.781 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.905 2.449 0.938 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.443 1.684 0.475 1.00 10.83 H new ATOM 56 N PHE A 4 -4.670 6.188 3.206 1.00 4.55 N ATOM 57 CA PHE A 4 -3.424 6.821 3.509 1.00 4.68 C ATOM 58 C PHE A 4 -2.426 5.748 3.242 1.00 5.30 C ATOM 59 O PHE A 4 -2.355 4.672 3.835 1.00 5.58 O ATOM 60 CB PHE A 4 -3.274 7.318 4.957 1.00 4.83 C ATOM 61 CG PHE A 4 -4.317 8.343 5.246 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.366 9.571 4.630 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.245 8.190 6.249 1.00 8.34 C ATOM 64 CE1 PHE A 4 -5.301 10.509 5.000 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.236 9.073 6.607 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.254 10.290 5.967 1.00 8.90 C ATOM 0 H PHE A 4 -5.035 5.601 3.956 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.312 7.728 2.915 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.369 6.482 5.650 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.281 7.743 5.105 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.661 9.802 3.845 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.189 7.274 6.819 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.286 11.469 4.505 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -6.969 8.822 7.359 1.00 10.61 H new ATOM 0 HZ PHE A 4 -6.987 11.044 6.214 1.00 8.90 H new ATOM 76 N VAL A 5 -1.479 6.046 2.335 1.00 4.44 N ATOM 77 CA VAL A 5 -0.246 5.335 2.475 1.00 3.87 C ATOM 78 C VAL A 5 0.780 6.275 3.011 1.00 4.93 C ATOM 79 O VAL A 5 1.118 7.332 2.481 1.00 6.84 O ATOM 80 CB VAL A 5 0.248 4.654 1.233 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.501 3.837 1.590 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.863 3.778 0.630 1.00 9.13 C ATOM 0 H VAL A 5 -1.549 6.717 1.570 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.435 4.513 3.166 1.00 3.87 H new ATOM 0 HB VAL A 5 0.517 5.389 0.474 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.874 3.334 0.698 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.271 4.503 1.980 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.248 3.094 2.346 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.492 3.289 -0.271 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.164 3.022 1.355 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.721 4.401 0.378 1.00 9.13 H new ATOM 92 N LYS A 6 1.225 5.999 4.250 1.00 6.04 N ATOM 93 CA LYS A 6 2.222 6.811 4.876 1.00 6.12 C ATOM 94 C LYS A 6 3.613 6.429 4.503 1.00 6.57 C ATOM 95 O LYS A 6 3.949 5.248 4.574 1.00 5.76 O ATOM 96 CB LYS A 6 1.894 6.804 6.379 1.00 7.45 C ATOM 97 CG LYS A 6 2.704 7.768 7.250 1.00 11.12 C ATOM 98 CD LYS A 6 2.500 7.471 8.737 1.00 14.54 C ATOM 99 CE LYS A 6 3.146 8.487 9.681 1.00 18.84 C ATOM 100 NZ LYS A 6 2.397 9.764 9.672 1.00 20.55 N ATOM 0 H LYS A 6 0.896 5.217 4.816 1.00 6.04 H new ATOM 0 HA LYS A 6 2.193 7.840 4.517 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.836 7.038 6.500 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.042 5.793 6.758 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.762 7.686 7.001 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.405 8.794 7.037 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.430 7.431 8.943 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.904 6.483 8.956 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.173 8.083 10.693 1.00 18.84 H new ATOM 0 HE3 LYS A 6 4.179 8.664 9.380 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.843 10.433 10.332 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 2.407 10.166 8.713 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.414 9.592 9.965 1.00 20.55 H new ATOM 114 N THR A 7 4.560 7.320 4.161 1.00 7.41 N ATOM 115 CA THR A 7 5.918 6.957 3.899 1.00 7.48 C ATOM 116 C THR A 7 6.632 7.032 5.204 1.00 8.75 C ATOM 117 O THR A 7 6.040 7.330 6.241 1.00 8.58 O ATOM 118 CB THR A 7 6.574 7.819 2.862 1.00 9.61 C ATOM 119 OG1 THR A 7 6.897 9.117 3.338 1.00 11.78 O ATOM 120 CG2 THR A 7 5.598 7.909 1.676 1.00 9.17 C ATOM 0 H THR A 7 4.377 8.319 4.064 1.00 7.41 H new ATOM 0 HA THR A 7 5.956 5.952 3.478 1.00 7.48 H new ATOM 0 HB THR A 7 7.525 7.371 2.574 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.867 9.249 3.295 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.034 8.529 0.893 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.408 6.910 1.284 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.660 8.352 2.010 1.00 9.17 H new ATOM 128 N LEU A 8 7.940 6.719 5.183 1.00 9.84 N ATOM 129 CA LEU A 8 8.693 6.704 6.399 1.00 14.15 C ATOM 130 C LEU A 8 8.933 8.078 6.921 1.00 17.37 C ATOM 131 O LEU A 8 8.798 8.488 8.073 1.00 17.01 O ATOM 132 CB LEU A 8 10.024 5.962 6.193 1.00 16.63 C ATOM 133 CG LEU A 8 10.770 5.688 7.509 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.358 4.270 7.608 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.714 6.851 7.855 1.00 19.31 C ATOM 0 H LEU A 8 8.468 6.481 4.343 1.00 9.84 H new ATOM 0 HA LEU A 8 8.103 6.173 7.146 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.831 5.016 5.687 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.664 6.551 5.535 1.00 16.63 H new ATOM 0 HG LEU A 8 10.040 5.670 8.318 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.868 4.154 8.564 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.555 3.537 7.534 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.068 4.113 6.796 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.231 6.634 8.790 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.446 6.976 7.057 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.136 7.769 7.964 1.00 19.31 H new ATOM 147 N THR A 9 9.306 8.881 5.909 1.00 18.33 N ATOM 148 CA THR A 9 9.842 10.197 6.069 1.00 19.24 C ATOM 149 C THR A 9 8.843 11.274 6.323 1.00 19.48 C ATOM 150 O THR A 9 8.658 11.622 7.488 1.00 23.14 O ATOM 151 CB THR A 9 10.619 10.548 4.835 1.00 18.97 C ATOM 152 OG1 THR A 9 9.917 10.343 3.617 1.00 20.24 O ATOM 153 CG2 THR A 9 11.832 9.606 4.748 1.00 19.70 C ATOM 0 H THR A 9 9.230 8.599 4.932 1.00 18.33 H new ATOM 0 HA THR A 9 10.460 10.155 6.966 1.00 19.24 H new ATOM 0 HB THR A 9 10.858 11.607 4.932 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.490 10.596 2.863 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.413 9.843 3.857 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.456 9.734 5.633 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.488 8.573 4.693 1.00 19.70 H new ATOM 161 N GLY A 10 8.130 11.773 5.298 1.00 19.43 N ATOM 162 CA GLY A 10 7.254 12.895 5.437 1.00 18.74 C ATOM 163 C GLY A 10 6.382 13.115 4.249 1.00 17.62 C ATOM 164 O GLY A 10 6.208 14.237 3.775 1.00 19.74 O ATOM 0 H GLY A 10 8.162 11.390 4.353 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.627 12.750 6.317 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.849 13.791 5.613 1.00 18.74 H new ATOM 168 N LYS A 11 5.699 12.056 3.779 1.00 13.56 N ATOM 169 CA LYS A 11 4.588 12.190 2.889 1.00 11.91 C ATOM 170 C LYS A 11 3.496 11.234 3.226 1.00 10.18 C ATOM 171 O LYS A 11 3.751 10.087 3.589 1.00 9.10 O ATOM 172 CB LYS A 11 5.115 11.979 1.460 1.00 13.43 C ATOM 173 CG LYS A 11 4.355 12.826 0.437 1.00 16.69 C ATOM 174 CD LYS A 11 4.928 12.588 -0.962 1.00 17.92 C ATOM 175 CE LYS A 11 4.206 13.474 -1.979 1.00 20.81 C ATOM 176 NZ LYS A 11 4.808 13.213 -3.306 1.00 21.93 N ATOM 0 H LYS A 11 5.922 11.091 4.021 1.00 13.56 H new ATOM 0 HA LYS A 11 4.148 13.183 2.981 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.175 12.231 1.424 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.029 10.926 1.194 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.296 12.570 0.454 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.432 13.882 0.697 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.996 12.807 -0.969 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.816 11.539 -1.237 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.139 13.251 -1.992 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.309 14.526 -1.712 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.980 14.116 -3.793 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.709 12.708 -3.185 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.159 12.631 -3.873 1.00 21.93 H new ATOM 190 N THR A 12 2.222 11.665 3.207 1.00 9.63 N ATOM 191 CA THR A 12 1.095 10.794 3.341 1.00 9.85 C ATOM 192 C THR A 12 0.227 10.873 2.133 1.00 11.66 C ATOM 193 O THR A 12 -0.511 11.813 1.842 1.00 12.33 O ATOM 194 CB THR A 12 0.250 11.182 4.518 1.00 10.85 C ATOM 195 OG1 THR A 12 1.060 11.204 5.685 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.909 10.193 4.731 1.00 9.63 C ATOM 0 H THR A 12 1.968 12.647 3.095 1.00 9.63 H new ATOM 0 HA THR A 12 1.487 9.786 3.472 1.00 9.85 H new ATOM 0 HB THR A 12 -0.173 12.168 4.323 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.514 11.459 6.458 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.500 10.505 5.592 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.541 10.177 3.843 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.508 9.195 4.909 1.00 9.63 H new ATOM 204 N ILE A 13 0.372 9.820 1.308 1.00 10.42 N ATOM 205 CA ILE A 13 -0.090 9.735 -0.043 1.00 11.84 C ATOM 206 C ILE A 13 -1.547 9.427 -0.005 1.00 10.55 C ATOM 207 O ILE A 13 -1.838 8.415 0.630 1.00 11.92 O ATOM 208 CB ILE A 13 0.664 8.617 -0.701 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.176 8.891 -0.741 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.098 8.259 -2.086 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.924 7.603 -1.081 1.00 16.46 C ATOM 0 H ILE A 13 0.846 8.968 1.608 1.00 10.42 H new ATOM 0 HA ILE A 13 0.068 10.662 -0.595 1.00 11.84 H new ATOM 0 HB ILE A 13 0.519 7.735 -0.078 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.397 9.658 -1.483 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.512 9.274 0.223 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.680 7.445 -2.518 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.942 7.948 -1.985 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.154 9.130 -2.738 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.996 7.801 -1.109 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.714 6.849 -0.322 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.597 7.239 -2.055 1.00 16.46 H new ATOM 223 N THR A 14 -2.486 10.224 -0.546 1.00 9.39 N ATOM 224 CA THR A 14 -3.897 10.045 -0.397 1.00 9.63 C ATOM 225 C THR A 14 -4.448 9.503 -1.671 1.00 11.20 C ATOM 226 O THR A 14 -4.660 10.204 -2.660 1.00 11.63 O ATOM 227 CB THR A 14 -4.635 11.285 0.012 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.355 12.370 -0.860 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.295 11.639 1.470 1.00 11.66 C ATOM 0 H THR A 14 -2.248 11.035 -1.117 1.00 9.39 H new ATOM 0 HA THR A 14 -4.046 9.342 0.423 1.00 9.63 H new ATOM 0 HB THR A 14 -5.705 11.088 -0.060 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.413 12.066 -1.790 1.00 16.30 H new ATOM 0 HG21 THR A 14 -4.834 12.541 1.761 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.587 10.816 2.122 1.00 11.66 H new ATOM 0 HG23 THR A 14 -3.223 11.812 1.562 1.00 11.66 H new ATOM 237 N LEU A 15 -4.533 8.161 -1.677 1.00 8.29 N ATOM 238 CA LEU A 15 -4.596 7.289 -2.809 1.00 9.03 C ATOM 239 C LEU A 15 -5.976 6.740 -2.923 1.00 8.59 C ATOM 240 O LEU A 15 -6.487 6.068 -2.028 1.00 7.79 O ATOM 241 CB LEU A 15 -3.564 6.172 -2.577 1.00 11.08 C ATOM 242 CG LEU A 15 -3.107 5.339 -3.787 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.284 6.120 -4.826 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.427 4.039 -3.328 1.00 15.88 C ATOM 0 H LEU A 15 -4.560 7.637 -0.802 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.369 7.810 -3.739 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -2.678 6.625 -2.131 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.977 5.486 -1.838 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.012 5.069 -4.332 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -2.005 5.455 -5.643 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.880 6.945 -5.217 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.383 6.514 -4.355 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.112 3.466 -4.200 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.556 4.280 -2.718 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.130 3.449 -2.740 1.00 15.88 H new ATOM 256 N GLU A 16 -6.673 7.074 -4.024 1.00 11.04 N ATOM 257 CA GLU A 16 -7.950 6.541 -4.382 1.00 11.50 C ATOM 258 C GLU A 16 -7.848 5.136 -4.868 1.00 10.13 C ATOM 259 O GLU A 16 -7.239 4.824 -5.890 1.00 9.83 O ATOM 260 CB GLU A 16 -8.825 7.363 -5.344 1.00 17.22 C ATOM 261 CG GLU A 16 -7.939 7.830 -6.500 1.00 23.33 C ATOM 262 CD GLU A 16 -8.813 8.752 -7.338 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.323 9.804 -6.869 1.00 28.90 O ATOM 264 OE2 GLU A 16 -9.063 8.365 -8.511 1.00 28.86 O ATOM 0 H GLU A 16 -6.325 7.753 -4.701 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.483 6.589 -3.432 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.653 6.760 -5.717 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.261 8.218 -4.827 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -7.057 8.354 -6.131 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -7.584 6.984 -7.089 1.00 23.33 H new ATOM 271 N VAL A 17 -8.539 4.252 -4.127 1.00 8.99 N ATOM 272 CA VAL A 17 -8.636 2.879 -4.515 1.00 8.85 C ATOM 273 C VAL A 17 -10.056 2.444 -4.391 1.00 8.04 C ATOM 274 O VAL A 17 -10.884 3.306 -4.101 1.00 8.99 O ATOM 275 CB VAL A 17 -7.665 2.046 -3.732 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.228 2.527 -3.991 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.045 2.050 -2.242 1.00 10.54 C ATOM 0 H VAL A 17 -9.028 4.486 -3.263 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.353 2.745 -5.559 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.713 1.009 -4.064 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.531 1.916 -3.418 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.000 2.438 -5.053 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.133 3.569 -3.686 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.333 1.442 -1.683 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.024 3.072 -1.864 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.047 1.639 -2.121 1.00 10.54 H new ATOM 287 N GLU A 18 -10.315 1.174 -4.751 1.00 7.29 N ATOM 288 CA GLU A 18 -11.583 0.582 -4.457 1.00 7.08 C ATOM 289 C GLU A 18 -11.312 -0.556 -3.535 1.00 6.45 C ATOM 290 O GLU A 18 -10.152 -0.963 -3.501 1.00 5.28 O ATOM 291 CB GLU A 18 -12.234 0.170 -5.788 1.00 10.28 C ATOM 292 CG GLU A 18 -12.434 1.379 -6.705 1.00 12.65 C ATOM 293 CD GLU A 18 -13.098 0.850 -7.968 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.353 0.790 -8.050 1.00 14.33 O ATOM 295 OE2 GLU A 18 -12.375 0.418 -8.906 1.00 18.17 O ATOM 0 H GLU A 18 -9.658 0.565 -5.238 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.286 1.255 -3.965 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.608 -0.569 -6.288 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.196 -0.305 -5.594 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.057 2.133 -6.224 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.481 1.854 -6.936 1.00 12.65 H new ATOM 302 N PRO A 19 -12.217 -1.060 -2.748 1.00 7.24 N ATOM 303 CA PRO A 19 -11.920 -2.150 -1.866 1.00 7.07 C ATOM 304 C PRO A 19 -11.670 -3.497 -2.453 1.00 6.65 C ATOM 305 O PRO A 19 -11.384 -4.442 -1.720 1.00 6.37 O ATOM 306 CB PRO A 19 -13.091 -2.123 -0.886 1.00 7.61 C ATOM 307 CG PRO A 19 -14.247 -1.830 -1.856 1.00 8.16 C ATOM 308 CD PRO A 19 -13.642 -0.768 -2.788 1.00 7.49 C ATOM 0 HA PRO A 19 -10.938 -1.997 -1.418 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.217 -3.070 -0.362 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.980 -1.350 -0.125 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.553 -2.722 -2.403 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.129 -1.457 -1.335 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.040 -0.847 -3.800 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.856 0.242 -2.439 1.00 7.49 H new ATOM 316 N SER A 20 -11.792 -3.717 -3.774 1.00 6.80 N ATOM 317 CA SER A 20 -11.539 -4.870 -4.582 1.00 6.28 C ATOM 318 C SER A 20 -10.134 -4.842 -5.077 1.00 8.45 C ATOM 319 O SER A 20 -9.735 -5.797 -5.743 1.00 7.26 O ATOM 320 CB SER A 20 -12.466 -4.878 -5.809 1.00 8.57 C ATOM 321 OG SER A 20 -12.468 -3.649 -6.521 1.00 11.13 O ATOM 0 H SER A 20 -12.123 -2.955 -4.366 1.00 6.80 H new ATOM 0 HA SER A 20 -11.715 -5.755 -3.971 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.159 -5.679 -6.482 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.482 -5.104 -5.486 1.00 8.57 H new ATOM 0 HG SER A 20 -13.073 -3.717 -7.289 1.00 11.13 H new ATOM 327 N ASP A 21 -9.301 -3.833 -4.767 1.00 7.50 N ATOM 328 CA ASP A 21 -7.952 -3.704 -5.224 1.00 7.70 C ATOM 329 C ASP A 21 -7.020 -4.593 -4.475 1.00 7.08 C ATOM 330 O ASP A 21 -7.178 -4.836 -3.280 1.00 8.11 O ATOM 331 CB ASP A 21 -7.457 -2.251 -5.124 1.00 11.00 C ATOM 332 CG ASP A 21 -7.793 -1.435 -6.364 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.970 -1.133 -6.695 1.00 18.03 O ATOM 334 OD2 ASP A 21 -6.829 -1.152 -7.124 1.00 14.36 O ATOM 0 H ASP A 21 -9.586 -3.063 -4.162 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.957 -4.008 -6.271 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.903 -1.778 -4.249 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.378 -2.248 -4.972 1.00 11.00 H new ATOM 339 N THR A 22 -5.954 -5.115 -5.107 1.00 5.37 N ATOM 340 CA THR A 22 -5.030 -5.931 -4.383 1.00 6.01 C ATOM 341 C THR A 22 -3.906 -5.130 -3.822 1.00 8.01 C ATOM 342 O THR A 22 -4.027 -3.906 -3.837 1.00 8.11 O ATOM 343 CB THR A 22 -4.429 -7.119 -5.075 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.804 -6.767 -6.300 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.505 -8.154 -5.447 1.00 9.65 C ATOM 0 H THR A 22 -5.735 -4.978 -6.094 1.00 5.37 H new ATOM 0 HA THR A 22 -5.689 -6.341 -3.618 1.00 6.01 H new ATOM 0 HB THR A 22 -3.704 -7.522 -4.368 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.425 -7.569 -6.716 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.037 -9.002 -5.947 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.007 -8.498 -4.543 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.234 -7.696 -6.116 1.00 9.65 H new ATOM 353 N ILE A 23 -2.793 -5.722 -3.353 1.00 8.32 N ATOM 354 CA ILE A 23 -1.594 -5.104 -2.877 1.00 9.92 C ATOM 355 C ILE A 23 -0.758 -4.866 -4.087 1.00 10.01 C ATOM 356 O ILE A 23 -0.070 -3.860 -4.255 1.00 8.71 O ATOM 357 CB ILE A 23 -0.974 -5.962 -1.814 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.045 -6.257 -0.751 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.245 -5.267 -1.186 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.655 -5.118 0.065 1.00 12.30 C ATOM 0 H ILE A 23 -2.729 -6.739 -3.303 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.749 -4.145 -2.382 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.619 -6.895 -2.252 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.865 -6.770 -1.253 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.612 -6.965 -0.044 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.675 -5.910 -0.419 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.991 -5.073 -1.957 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.066 -4.324 -0.736 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.390 -5.522 0.762 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.869 -4.608 0.622 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.142 -4.410 -0.606 1.00 12.30 H new ATOM 372 N GLU A 24 -0.730 -5.800 -5.054 1.00 9.54 N ATOM 373 CA GLU A 24 -0.149 -5.433 -6.308 1.00 11.81 C ATOM 374 C GLU A 24 -0.761 -4.272 -7.014 1.00 11.14 C ATOM 375 O GLU A 24 -0.037 -3.530 -7.676 1.00 10.62 O ATOM 376 CB GLU A 24 -0.161 -6.647 -7.252 1.00 19.24 C ATOM 377 CG GLU A 24 0.753 -7.790 -6.806 1.00 27.76 C ATOM 378 CD GLU A 24 0.832 -8.879 -7.866 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.057 -9.772 -7.904 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.758 -8.959 -8.717 1.00 36.51 O ATOM 0 H GLU A 24 -1.086 -6.753 -4.980 1.00 9.54 H new ATOM 0 HA GLU A 24 0.859 -5.107 -6.051 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.181 -7.022 -7.333 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.139 -6.323 -8.248 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.752 -7.403 -6.604 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.381 -8.214 -5.873 1.00 27.76 H new ATOM 387 N ASN A 25 -2.085 -4.070 -6.889 1.00 9.43 N ATOM 388 CA ASN A 25 -2.742 -2.939 -7.465 1.00 10.96 C ATOM 389 C ASN A 25 -2.236 -1.671 -6.866 1.00 9.68 C ATOM 390 O ASN A 25 -1.583 -0.845 -7.502 1.00 9.33 O ATOM 391 CB ASN A 25 -4.273 -3.029 -7.353 1.00 16.78 C ATOM 392 CG ASN A 25 -4.846 -4.183 -8.164 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.033 -4.507 -8.152 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.040 -4.686 -9.137 1.00 24.70 N ATOM 0 H ASN A 25 -2.707 -4.700 -6.382 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.504 -2.940 -8.529 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.552 -3.150 -6.306 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.715 -2.093 -7.694 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.422 -5.319 -9.839 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.053 -4.430 -9.165 1.00 24.70 H new ATOM 401 N VAL A 26 -2.337 -1.569 -5.529 1.00 6.52 N ATOM 402 CA VAL A 26 -1.870 -0.438 -4.789 1.00 5.53 C ATOM 403 C VAL A 26 -0.448 -0.088 -5.064 1.00 4.42 C ATOM 404 O VAL A 26 -0.138 1.062 -5.372 1.00 3.40 O ATOM 405 CB VAL A 26 -2.226 -0.675 -3.351 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.727 0.467 -2.449 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.753 -0.726 -3.179 1.00 8.12 C ATOM 0 H VAL A 26 -2.755 -2.294 -4.946 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.369 0.474 -5.117 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.757 -1.617 -3.068 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.003 0.261 -1.415 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.643 0.545 -2.527 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.181 1.406 -2.766 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.995 -0.899 -2.130 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.187 0.221 -3.501 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.160 -1.536 -3.784 1.00 8.12 H new ATOM 417 N LYS A 27 0.520 -1.023 -5.075 1.00 2.64 N ATOM 418 CA LYS A 27 1.874 -0.826 -5.490 1.00 4.14 C ATOM 419 C LYS A 27 2.031 -0.261 -6.860 1.00 5.58 C ATOM 420 O LYS A 27 2.860 0.600 -7.149 1.00 4.11 O ATOM 421 CB LYS A 27 2.605 -2.173 -5.365 1.00 3.97 C ATOM 422 CG LYS A 27 2.909 -2.563 -3.917 1.00 7.45 C ATOM 423 CD LYS A 27 3.669 -3.887 -3.815 1.00 9.02 C ATOM 424 CE LYS A 27 3.053 -5.179 -4.357 1.00 12.90 C ATOM 425 NZ LYS A 27 3.961 -6.328 -4.143 1.00 15.47 N ATOM 0 H LYS A 27 0.343 -1.981 -4.773 1.00 2.64 H new ATOM 0 HA LYS A 27 2.310 -0.070 -4.837 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.997 -2.953 -5.824 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.539 -2.125 -5.925 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.496 -1.774 -3.447 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.975 -2.640 -3.361 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.625 -3.749 -4.321 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.887 -4.052 -2.760 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.100 -5.367 -3.863 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.844 -5.069 -5.421 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.413 -7.146 -3.810 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.433 -6.569 -5.038 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.676 -6.077 -3.431 1.00 15.47 H new ATOM 439 N ALA A 28 1.209 -0.678 -7.840 1.00 6.61 N ATOM 440 CA ALA A 28 1.203 -0.139 -9.164 1.00 7.74 C ATOM 441 C ALA A 28 0.675 1.250 -9.269 1.00 9.17 C ATOM 442 O ALA A 28 1.133 2.006 -10.124 1.00 11.45 O ATOM 443 CB ALA A 28 0.458 -1.074 -10.132 1.00 7.68 C ATOM 0 H ALA A 28 0.522 -1.420 -7.704 1.00 6.61 H new ATOM 0 HA ALA A 28 2.253 -0.073 -9.449 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.467 -0.643 -11.133 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.951 -2.046 -10.151 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.572 -1.197 -9.799 1.00 7.68 H new ATOM 449 N LYS A 29 -0.301 1.590 -8.408 1.00 8.96 N ATOM 450 CA LYS A 29 -0.945 2.867 -8.411 1.00 7.90 C ATOM 451 C LYS A 29 -0.093 3.854 -7.690 1.00 6.92 C ATOM 452 O LYS A 29 -0.080 5.050 -7.980 1.00 6.87 O ATOM 453 CB LYS A 29 -2.405 2.748 -7.943 1.00 10.28 C ATOM 454 CG LYS A 29 -3.323 1.910 -8.834 1.00 14.94 C ATOM 455 CD LYS A 29 -4.783 1.722 -8.414 1.00 19.69 C ATOM 456 CE LYS A 29 -5.592 0.761 -9.287 1.00 22.63 C ATOM 457 NZ LYS A 29 -7.012 0.769 -8.873 1.00 24.98 N ATOM 0 H LYS A 29 -0.652 0.958 -7.689 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.038 3.261 -9.423 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.412 2.319 -6.941 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.824 3.751 -7.863 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.320 2.359 -9.827 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.877 0.920 -8.930 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.805 1.360 -7.386 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.275 2.695 -8.420 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.509 1.052 -10.334 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.187 -0.247 -9.203 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.608 0.465 -9.670 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -7.144 0.117 -8.074 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -7.284 1.730 -8.584 1.00 24.98 H new ATOM 471 N ILE A 30 0.802 3.430 -6.780 1.00 4.57 N ATOM 472 CA ILE A 30 1.809 4.268 -6.206 1.00 5.58 C ATOM 473 C ILE A 30 2.929 4.564 -7.142 1.00 7.26 C ATOM 474 O ILE A 30 3.497 5.655 -7.105 1.00 9.46 O ATOM 475 CB ILE A 30 2.381 3.697 -4.942 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.377 3.657 -3.778 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.653 4.443 -4.506 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.723 2.720 -2.622 1.00 2.00 C ATOM 0 H ILE A 30 0.826 2.472 -6.432 1.00 4.57 H new ATOM 0 HA ILE A 30 1.289 5.199 -5.979 1.00 5.58 H new ATOM 0 HB ILE A 30 2.635 2.665 -5.185 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.272 4.667 -3.381 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.404 3.367 -4.174 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.037 4.000 -3.587 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.407 4.365 -5.289 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.417 5.493 -4.332 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.944 2.777 -1.862 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.796 1.697 -2.992 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.677 3.017 -2.186 1.00 2.00 H new ATOM 490 N GLN A 31 3.175 3.677 -8.123 1.00 7.06 N ATOM 491 CA GLN A 31 4.176 3.748 -9.142 1.00 8.67 C ATOM 492 C GLN A 31 3.766 4.735 -10.180 1.00 10.90 C ATOM 493 O GLN A 31 4.572 5.430 -10.795 1.00 9.63 O ATOM 494 CB GLN A 31 4.521 2.395 -9.785 1.00 9.12 C ATOM 495 CG GLN A 31 5.663 2.560 -10.790 1.00 10.76 C ATOM 496 CD GLN A 31 6.279 1.266 -11.303 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.612 0.241 -11.436 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.592 1.376 -11.637 1.00 14.76 N ATOM 0 H GLN A 31 2.617 2.828 -8.209 1.00 7.06 H new ATOM 0 HA GLN A 31 5.093 4.074 -8.651 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.807 1.680 -9.013 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.643 1.988 -10.286 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.293 3.129 -11.643 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.448 3.156 -10.326 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.081 2.260 -11.498 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.088 0.574 -12.027 1.00 14.76 H new ATOM 507 N ASP A 32 2.448 4.902 -10.395 1.00 10.93 N ATOM 508 CA ASP A 32 1.886 5.958 -11.178 1.00 14.01 C ATOM 509 C ASP A 32 2.198 7.255 -10.515 1.00 14.04 C ATOM 510 O ASP A 32 2.758 8.175 -11.110 1.00 13.39 O ATOM 511 CB ASP A 32 0.374 5.749 -11.372 1.00 18.01 C ATOM 512 CG ASP A 32 -0.389 6.713 -12.269 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.115 7.016 -13.383 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.567 7.038 -11.962 1.00 26.29 O ATOM 0 H ASP A 32 1.745 4.274 -10.006 1.00 10.93 H new ATOM 0 HA ASP A 32 2.324 5.962 -12.176 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.228 4.744 -11.767 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.092 5.775 -10.387 1.00 18.01 H new ATOM 519 N LYS A 33 1.806 7.392 -9.236 1.00 14.22 N ATOM 520 CA LYS A 33 1.670 8.645 -8.561 1.00 14.00 C ATOM 521 C LYS A 33 2.979 9.180 -8.091 1.00 12.37 C ATOM 522 O LYS A 33 3.188 10.376 -8.291 1.00 12.17 O ATOM 523 CB LYS A 33 0.724 8.559 -7.351 1.00 18.62 C ATOM 524 CG LYS A 33 0.330 9.881 -6.690 1.00 24.00 C ATOM 525 CD LYS A 33 -0.378 10.834 -7.654 1.00 27.61 C ATOM 526 CE LYS A 33 -0.873 12.166 -7.087 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.603 12.930 -8.124 1.00 30.06 N ATOM 0 H LYS A 33 1.573 6.593 -8.646 1.00 14.22 H new ATOM 0 HA LYS A 33 1.247 9.321 -9.304 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.188 8.052 -7.668 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.194 7.928 -6.596 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.323 9.678 -5.841 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.223 10.366 -6.296 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.304 11.050 -8.476 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.234 10.310 -8.079 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.526 11.985 -6.233 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.028 12.750 -6.724 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.933 13.831 -7.724 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.969 13.119 -8.927 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.421 12.377 -8.451 1.00 30.06 H new ATOM 541 N GLU A 34 3.862 8.350 -7.509 1.00 10.11 N ATOM 542 CA GLU A 34 5.114 8.794 -6.980 1.00 10.07 C ATOM 543 C GLU A 34 6.197 8.392 -7.921 1.00 9.32 C ATOM 544 O GLU A 34 7.102 9.173 -8.210 1.00 11.61 O ATOM 545 CB GLU A 34 5.366 8.150 -5.606 1.00 14.77 C ATOM 546 CG GLU A 34 4.391 8.696 -4.562 1.00 18.75 C ATOM 547 CD GLU A 34 4.564 10.166 -4.211 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.689 10.506 -3.756 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.640 10.998 -4.420 1.00 21.95 O ATOM 0 H GLU A 34 3.703 7.348 -7.403 1.00 10.11 H new ATOM 0 HA GLU A 34 5.098 9.878 -6.863 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.257 7.068 -5.681 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.391 8.346 -5.290 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.374 8.544 -4.925 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.495 8.108 -3.650 1.00 18.75 H new ATOM 556 N GLY A 35 6.162 7.149 -8.433 1.00 7.22 N ATOM 557 CA GLY A 35 7.148 6.619 -9.323 1.00 6.29 C ATOM 558 C GLY A 35 8.143 5.781 -8.597 1.00 6.93 C ATOM 559 O GLY A 35 9.296 5.665 -9.008 1.00 7.41 O ATOM 0 H GLY A 35 5.417 6.486 -8.218 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.661 6.022 -10.094 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.660 7.437 -9.830 1.00 6.29 H new ATOM 563 N ILE A 36 7.672 5.011 -7.599 1.00 5.86 N ATOM 564 CA ILE A 36 8.506 4.086 -6.896 1.00 6.07 C ATOM 565 C ILE A 36 8.229 2.721 -7.425 1.00 6.36 C ATOM 566 O ILE A 36 7.068 2.336 -7.557 1.00 6.18 O ATOM 567 CB ILE A 36 8.227 4.115 -5.422 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.493 5.516 -4.846 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.047 3.067 -4.652 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.722 5.767 -3.551 1.00 9.49 C ATOM 0 H ILE A 36 6.704 5.030 -7.277 1.00 5.86 H new ATOM 0 HA ILE A 36 9.551 4.360 -7.045 1.00 6.07 H new ATOM 0 HB ILE A 36 7.173 3.867 -5.296 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.560 5.633 -4.659 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.214 6.269 -5.584 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.810 3.128 -3.590 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.803 2.071 -5.022 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.110 3.258 -4.798 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.943 6.769 -3.184 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.652 5.678 -3.741 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.019 5.033 -2.802 1.00 9.49 H new ATOM 582 N PRO A 37 9.228 1.929 -7.680 1.00 8.65 N ATOM 583 CA PRO A 37 9.066 0.594 -8.177 1.00 9.18 C ATOM 584 C PRO A 37 8.391 -0.322 -7.215 1.00 9.85 C ATOM 585 O PRO A 37 8.652 -0.136 -6.028 1.00 8.51 O ATOM 586 CB PRO A 37 10.474 0.053 -8.412 1.00 11.42 C ATOM 587 CG PRO A 37 11.303 1.327 -8.639 1.00 9.27 C ATOM 588 CD PRO A 37 10.576 2.441 -7.869 1.00 8.33 C ATOM 0 HA PRO A 37 8.445 0.635 -9.072 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.835 -0.516 -7.555 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.512 -0.612 -9.275 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.322 1.201 -8.274 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.371 1.565 -9.700 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.061 2.646 -6.914 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.571 3.375 -8.431 1.00 8.33 H new ATOM 596 N PRO A 38 7.481 -1.181 -7.568 1.00 8.71 N ATOM 597 CA PRO A 38 6.687 -1.982 -6.682 1.00 9.08 C ATOM 598 C PRO A 38 7.367 -3.055 -5.904 1.00 9.28 C ATOM 599 O PRO A 38 6.827 -3.493 -4.889 1.00 6.50 O ATOM 600 CB PRO A 38 5.660 -2.550 -7.659 1.00 10.31 C ATOM 601 CG PRO A 38 6.335 -2.729 -9.028 1.00 10.81 C ATOM 602 CD PRO A 38 7.224 -1.477 -8.969 1.00 12.00 C ATOM 0 HA PRO A 38 6.307 -1.382 -5.855 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.280 -3.505 -7.296 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.806 -1.878 -7.743 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.904 -3.655 -9.108 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.630 -2.715 -9.859 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.160 -1.647 -9.502 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.730 -0.635 -9.453 1.00 12.00 H new ATOM 610 N ASP A 39 8.564 -3.507 -6.320 1.00 11.20 N ATOM 611 CA ASP A 39 9.389 -4.452 -5.634 1.00 14.96 C ATOM 612 C ASP A 39 10.305 -3.810 -4.649 1.00 13.99 C ATOM 613 O ASP A 39 10.602 -4.362 -3.591 1.00 13.75 O ATOM 614 CB ASP A 39 10.250 -5.261 -6.619 1.00 24.16 C ATOM 615 CG ASP A 39 11.067 -4.331 -7.505 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.734 -3.180 -7.893 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.124 -4.863 -7.939 1.00 35.55 O ATOM 0 H ASP A 39 8.982 -3.190 -7.195 1.00 11.20 H new ATOM 0 HA ASP A 39 8.698 -5.106 -5.103 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.916 -5.925 -6.068 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.610 -5.892 -7.237 1.00 24.16 H new ATOM 622 N GLN A 40 10.680 -2.539 -4.882 1.00 11.60 N ATOM 623 CA GLN A 40 11.293 -1.637 -3.957 1.00 10.76 C ATOM 624 C GLN A 40 10.316 -1.279 -2.891 1.00 8.01 C ATOM 625 O GLN A 40 10.685 -1.127 -1.728 1.00 8.96 O ATOM 626 CB GLN A 40 11.892 -0.415 -4.672 1.00 11.14 C ATOM 627 CG GLN A 40 12.776 0.367 -3.698 1.00 14.85 C ATOM 628 CD GLN A 40 13.000 1.799 -4.164 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.734 2.798 -3.498 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.651 1.903 -5.354 1.00 18.16 N ATOM 0 H GLN A 40 10.542 -2.108 -5.796 1.00 11.60 H new ATOM 0 HA GLN A 40 12.138 -2.129 -3.475 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.478 -0.736 -5.533 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.095 0.225 -5.050 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.312 0.374 -2.712 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.737 -0.136 -3.595 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.864 1.064 -5.894 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.926 2.820 -5.706 1.00 18.16 H new ATOM 639 N GLN A 41 9.031 -1.053 -3.221 1.00 6.52 N ATOM 640 CA GLN A 41 7.940 -0.955 -2.302 1.00 3.87 C ATOM 641 C GLN A 41 7.632 -2.123 -1.430 1.00 4.79 C ATOM 642 O GLN A 41 7.486 -3.276 -1.833 1.00 6.34 O ATOM 643 CB GLN A 41 6.610 -0.554 -2.965 1.00 4.20 C ATOM 644 CG GLN A 41 6.603 0.816 -3.644 1.00 3.20 C ATOM 645 CD GLN A 41 5.221 0.972 -4.263 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.230 0.805 -3.553 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.137 1.305 -5.579 1.00 7.13 N ATOM 0 H GLN A 41 8.737 -0.931 -4.190 1.00 6.52 H new ATOM 0 HA GLN A 41 8.346 -0.174 -1.658 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.351 -1.310 -3.707 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.827 -0.569 -2.207 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.799 1.610 -2.923 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.381 0.878 -4.405 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.987 1.433 -6.128 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.224 1.427 -6.017 1.00 7.13 H new ATOM 656 N ARG A 42 7.487 -1.940 -0.106 1.00 5.73 N ATOM 657 CA ARG A 42 6.966 -2.900 0.817 1.00 6.97 C ATOM 658 C ARG A 42 5.912 -2.291 1.676 1.00 7.15 C ATOM 659 O ARG A 42 6.129 -1.209 2.218 1.00 7.33 O ATOM 660 CB ARG A 42 8.115 -3.280 1.766 1.00 13.23 C ATOM 661 CG ARG A 42 7.807 -4.261 2.898 1.00 21.27 C ATOM 662 CD ARG A 42 8.969 -5.092 3.445 1.00 26.14 C ATOM 663 NE ARG A 42 9.424 -6.063 2.410 1.00 32.26 N ATOM 664 CZ ARG A 42 10.566 -6.809 2.463 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.262 -7.016 3.619 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.201 -7.067 1.283 1.00 36.39 N ATOM 0 H ARG A 42 7.751 -1.066 0.348 1.00 5.73 H new ATOM 0 HA ARG A 42 6.557 -3.744 0.262 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.920 -3.703 1.165 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.499 -2.363 2.212 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.378 -3.696 3.726 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.037 -4.948 2.548 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.793 -4.438 3.731 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.657 -5.624 4.344 1.00 26.14 H new ATOM 0 HE ARG A 42 8.830 -6.181 1.590 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.933 -6.605 4.493 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.111 -7.581 3.609 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.819 -6.706 0.409 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.058 -7.620 1.275 1.00 36.39 H new ATOM 680 N LEU A 43 4.740 -2.945 1.767 1.00 4.65 N ATOM 681 CA LEU A 43 3.575 -2.446 2.429 1.00 3.51 C ATOM 682 C LEU A 43 3.278 -3.269 3.635 1.00 5.56 C ATOM 683 O LEU A 43 3.208 -4.496 3.566 1.00 4.19 O ATOM 684 CB LEU A 43 2.366 -2.407 1.479 1.00 3.74 C ATOM 685 CG LEU A 43 2.474 -1.357 0.360 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.440 -1.501 -0.769 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.289 0.076 0.887 1.00 9.55 C ATOM 0 H LEU A 43 4.598 -3.869 1.358 1.00 4.65 H new ATOM 0 HA LEU A 43 3.774 -1.422 2.746 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.242 -3.391 1.027 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.467 -2.208 2.062 1.00 3.74 H new ATOM 0 HG LEU A 43 3.476 -1.538 -0.030 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.597 -0.716 -1.509 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.553 -2.475 -1.244 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.435 -1.414 -0.356 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.374 0.781 0.060 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.305 0.171 1.346 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.057 0.293 1.629 1.00 9.55 H new ATOM 699 N ILE A 44 3.103 -2.536 4.748 1.00 4.58 N ATOM 700 CA ILE A 44 2.855 -3.061 6.055 1.00 5.55 C ATOM 701 C ILE A 44 1.679 -2.330 6.607 1.00 5.46 C ATOM 702 O ILE A 44 1.548 -1.108 6.566 1.00 6.04 O ATOM 703 CB ILE A 44 4.064 -2.959 6.937 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.252 -3.727 6.334 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.811 -3.611 8.307 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.646 -3.414 6.878 1.00 13.90 C ATOM 0 H ILE A 44 3.137 -1.517 4.735 1.00 4.58 H new ATOM 0 HA ILE A 44 2.635 -4.127 6.004 1.00 5.55 H new ATOM 0 HB ILE A 44 4.277 -1.894 7.033 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.069 -4.792 6.473 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.261 -3.542 5.260 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.705 -3.521 8.924 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.978 -3.110 8.800 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.570 -4.665 8.169 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.384 -4.028 6.362 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.872 -2.360 6.714 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.677 -3.630 7.946 1.00 13.90 H new ATOM 718 N PHE A 45 0.808 -3.086 7.299 1.00 6.75 N ATOM 719 CA PHE A 45 -0.286 -2.366 7.871 1.00 4.70 C ATOM 720 C PHE A 45 -0.033 -1.993 9.291 1.00 6.34 C ATOM 721 O PHE A 45 0.311 -0.838 9.541 1.00 5.45 O ATOM 722 CB PHE A 45 -1.499 -3.306 7.764 1.00 5.51 C ATOM 723 CG PHE A 45 -2.872 -2.808 8.059 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.228 -1.486 8.182 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.842 -3.770 8.214 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.519 -1.117 8.476 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.175 -3.449 8.312 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.439 -2.131 8.602 1.00 6.84 C ATOM 0 H PHE A 45 0.846 -4.093 7.454 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.446 -1.425 7.345 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.512 -3.700 6.748 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.313 -4.148 8.430 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.478 -0.721 8.045 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.548 -4.808 8.260 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.797 -0.081 8.602 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.958 -4.179 8.171 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.429 -1.877 8.950 1.00 6.84 H new ATOM 738 N ALA A 46 -0.116 -2.892 10.288 1.00 6.53 N ATOM 739 CA ALA A 46 0.222 -2.556 11.636 1.00 7.15 C ATOM 740 C ALA A 46 1.540 -3.223 11.836 1.00 9.00 C ATOM 741 O ALA A 46 2.551 -2.547 12.019 1.00 11.15 O ATOM 742 CB ALA A 46 -0.910 -3.097 12.526 1.00 8.99 C ATOM 0 H ALA A 46 -0.419 -3.857 10.159 1.00 6.53 H new ATOM 0 HA ALA A 46 0.312 -1.496 11.872 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.696 -2.864 13.569 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.853 -2.634 12.237 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.984 -4.178 12.404 1.00 8.99 H new ATOM 748 N GLY A 47 1.621 -4.566 11.826 1.00 9.35 N ATOM 749 CA GLY A 47 2.802 -5.359 11.966 1.00 11.68 C ATOM 750 C GLY A 47 2.838 -6.606 11.152 1.00 11.14 C ATOM 751 O GLY A 47 3.713 -7.461 11.283 1.00 13.93 O ATOM 0 H GLY A 47 0.788 -5.144 11.710 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.663 -4.747 11.699 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.915 -5.628 13.016 1.00 11.68 H new ATOM 755 N LYS A 48 1.862 -6.724 10.235 1.00 10.47 N ATOM 756 CA LYS A 48 1.879 -7.756 9.244 1.00 8.82 C ATOM 757 C LYS A 48 2.086 -7.149 7.899 1.00 7.68 C ATOM 758 O LYS A 48 1.501 -6.127 7.542 1.00 6.47 O ATOM 759 CB LYS A 48 0.614 -8.629 9.282 1.00 9.74 C ATOM 760 CG LYS A 48 0.695 -10.053 8.730 1.00 14.14 C ATOM 761 CD LYS A 48 -0.559 -10.894 8.975 1.00 16.32 C ATOM 762 CE LYS A 48 -0.492 -12.282 8.334 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.819 -12.936 8.313 1.00 23.92 N ATOM 0 H LYS A 48 1.056 -6.101 10.179 1.00 10.47 H new ATOM 0 HA LYS A 48 2.710 -8.426 9.465 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.286 -8.694 10.320 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.168 -8.104 8.733 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.882 -10.004 7.657 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.550 -10.557 9.180 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.710 -11.004 10.049 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.427 -10.362 8.584 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.112 -12.195 7.316 1.00 20.04 H new ATOM 0 HE3 LYS A 48 0.213 -12.905 8.885 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.737 -13.874 7.872 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.170 -13.041 9.286 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.484 -12.354 7.766 1.00 23.92 H new ATOM 777 N GLN A 49 2.869 -7.849 7.059 1.00 8.89 N ATOM 778 CA GLN A 49 3.264 -7.424 5.752 1.00 7.18 C ATOM 779 C GLN A 49 2.195 -7.833 4.798 1.00 8.23 C ATOM 780 O GLN A 49 1.550 -8.870 4.944 1.00 9.70 O ATOM 781 CB GLN A 49 4.632 -8.073 5.479 1.00 11.67 C ATOM 782 CG GLN A 49 5.243 -7.352 4.276 1.00 15.82 C ATOM 783 CD GLN A 49 6.442 -8.178 3.832 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.477 -8.059 4.486 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.434 -8.834 2.641 1.00 20.67 N ATOM 0 H GLN A 49 3.248 -8.763 7.306 1.00 8.89 H new ATOM 0 HA GLN A 49 3.378 -6.345 5.647 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.281 -7.985 6.351 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.519 -9.137 5.273 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.516 -7.261 3.469 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.548 -6.341 4.545 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.566 -8.922 2.113 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.296 -9.238 2.275 1.00 20.67 H new ATOM 794 N LEU A 50 1.898 -7.073 3.729 1.00 6.51 N ATOM 795 CA LEU A 50 0.754 -7.399 2.936 1.00 7.41 C ATOM 796 C LEU A 50 1.165 -8.159 1.723 1.00 8.27 C ATOM 797 O LEU A 50 2.114 -7.719 1.076 1.00 8.34 O ATOM 798 CB LEU A 50 -0.201 -6.258 2.546 1.00 7.13 C ATOM 799 CG LEU A 50 -0.865 -5.344 3.589 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.370 -6.103 4.828 1.00 9.11 C ATOM 801 CD2 LEU A 50 0.138 -4.223 3.909 1.00 8.14 C ATOM 0 H LEU A 50 2.430 -6.259 3.421 1.00 6.51 H new ATOM 0 HA LEU A 50 0.153 -8.005 3.614 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.351 -5.607 1.868 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.008 -6.710 1.969 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.779 -4.910 3.184 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.827 -5.400 5.524 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -2.108 -6.845 4.524 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.533 -6.603 5.315 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.294 -3.548 4.648 1.00 8.14 H new ATOM 0 HD22 LEU A 50 1.055 -4.658 4.307 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.365 -3.667 2.999 1.00 8.14 H new ATOM 813 N GLU A 51 0.515 -9.302 1.442 1.00 9.43 N ATOM 814 CA GLU A 51 1.022 -10.130 0.392 1.00 11.90 C ATOM 815 C GLU A 51 0.177 -9.982 -0.826 1.00 11.49 C ATOM 816 O GLU A 51 -0.957 -9.509 -0.761 1.00 9.88 O ATOM 817 CB GLU A 51 1.065 -11.625 0.751 1.00 16.56 C ATOM 818 CG GLU A 51 1.891 -12.025 1.975 1.00 26.06 C ATOM 819 CD GLU A 51 1.959 -13.540 2.107 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.905 -14.229 2.105 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.049 -14.109 2.383 1.00 33.44 O ATOM 0 H GLU A 51 -0.322 -9.642 1.915 1.00 9.43 H new ATOM 0 HA GLU A 51 2.045 -9.794 0.220 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.041 -11.965 0.908 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.452 -12.169 -0.111 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.898 -11.617 1.889 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.449 -11.596 2.874 1.00 26.06 H new ATOM 828 N ASP A 52 0.874 -10.195 -1.956 1.00 12.71 N ATOM 829 CA ASP A 52 0.548 -9.611 -3.220 1.00 16.56 C ATOM 830 C ASP A 52 -0.864 -9.667 -3.692 1.00 15.83 C ATOM 831 O ASP A 52 -1.437 -8.659 -4.104 1.00 17.21 O ATOM 832 CB ASP A 52 1.431 -10.307 -4.269 1.00 21.05 C ATOM 833 CG ASP A 52 2.830 -9.709 -4.290 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.070 -8.684 -3.598 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.700 -10.227 -5.041 1.00 28.37 O ATOM 0 H ASP A 52 1.696 -10.797 -1.991 1.00 12.71 H new ATOM 0 HA ASP A 52 0.721 -8.544 -3.083 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.491 -11.373 -4.049 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.976 -10.210 -5.255 1.00 21.05 H new ATOM 840 N GLY A 53 -1.454 -10.875 -3.728 1.00 15.00 N ATOM 841 CA GLY A 53 -2.685 -11.205 -4.378 1.00 11.77 C ATOM 842 C GLY A 53 -3.792 -11.574 -3.452 1.00 11.10 C ATOM 843 O GLY A 53 -4.399 -12.626 -3.643 1.00 11.25 O ATOM 0 H GLY A 53 -1.037 -11.683 -3.266 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.002 -10.355 -4.982 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.509 -12.035 -5.063 1.00 11.77 H new ATOM 847 N ARG A 54 -4.059 -10.738 -2.433 1.00 8.53 N ATOM 848 CA ARG A 54 -5.315 -10.587 -1.765 1.00 9.05 C ATOM 849 C ARG A 54 -5.712 -9.151 -1.750 1.00 8.96 C ATOM 850 O ARG A 54 -4.935 -8.223 -1.965 1.00 11.60 O ATOM 851 CB ARG A 54 -5.275 -11.053 -0.300 1.00 7.97 C ATOM 852 CG ARG A 54 -5.019 -12.554 -0.146 1.00 9.62 C ATOM 853 CD ARG A 54 -5.257 -13.127 1.252 1.00 12.20 C ATOM 854 NE ARG A 54 -4.552 -14.439 1.215 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.059 -15.578 0.659 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.318 -15.763 0.164 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.245 -16.671 0.588 1.00 25.50 N ATOM 0 H ARG A 54 -3.343 -10.122 -2.048 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.024 -11.205 -2.316 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.495 -10.503 0.227 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.221 -10.802 0.179 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.657 -13.087 -0.851 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.987 -12.759 -0.432 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.853 -12.476 2.027 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -6.320 -13.248 1.460 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.624 -14.490 1.635 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.993 -14.999 0.188 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.584 -16.666 -0.230 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.291 -16.620 0.944 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.591 -17.539 0.179 1.00 25.50 H new ATOM 871 N THR A 55 -7.012 -8.872 -1.545 1.00 9.05 N ATOM 872 CA THR A 55 -7.654 -7.595 -1.573 1.00 9.03 C ATOM 873 C THR A 55 -7.427 -6.848 -0.304 1.00 8.15 C ATOM 874 O THR A 55 -7.291 -7.462 0.753 1.00 5.91 O ATOM 875 CB THR A 55 -9.083 -7.468 -2.013 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.976 -8.107 -1.113 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.281 -8.199 -3.352 1.00 11.71 C ATOM 0 H THR A 55 -7.677 -9.617 -1.339 1.00 9.05 H new ATOM 0 HA THR A 55 -7.139 -7.144 -2.421 1.00 9.03 H new ATOM 0 HB THR A 55 -9.289 -6.399 -2.073 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.721 -9.048 -1.011 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.320 -8.104 -3.668 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.630 -7.758 -4.107 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.033 -9.254 -3.231 1.00 11.71 H new ATOM 885 N LEU A 56 -7.686 -5.528 -0.311 1.00 6.91 N ATOM 886 CA LEU A 56 -7.813 -4.737 0.873 1.00 8.29 C ATOM 887 C LEU A 56 -9.003 -5.131 1.679 1.00 8.05 C ATOM 888 O LEU A 56 -9.075 -5.005 2.900 1.00 10.17 O ATOM 889 CB LEU A 56 -7.947 -3.270 0.431 1.00 6.60 C ATOM 890 CG LEU A 56 -6.815 -2.805 -0.501 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.315 -1.604 -1.323 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.575 -2.477 0.346 1.00 9.85 C ATOM 0 H LEU A 56 -7.811 -4.993 -1.171 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.937 -4.887 1.505 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.902 -3.137 -0.076 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.964 -2.632 1.315 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.528 -3.586 -1.205 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.522 -1.263 -1.989 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.181 -1.903 -1.913 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.596 -0.794 -0.650 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.766 -2.146 -0.306 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.817 -1.685 1.054 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.261 -3.367 0.891 1.00 9.85 H new ATOM 904 N SER A 57 -10.073 -5.603 1.014 1.00 8.92 N ATOM 905 CA SER A 57 -11.196 -6.081 1.758 1.00 9.00 C ATOM 906 C SER A 57 -10.952 -7.333 2.528 1.00 9.44 C ATOM 907 O SER A 57 -11.592 -7.445 3.572 1.00 10.91 O ATOM 908 CB SER A 57 -12.379 -6.278 0.795 1.00 10.32 C ATOM 909 OG SER A 57 -13.642 -6.449 1.422 1.00 13.59 O ATOM 0 H SER A 57 -10.161 -5.654 -0.001 1.00 8.92 H new ATOM 0 HA SER A 57 -11.412 -5.323 2.511 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.434 -5.416 0.130 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.179 -7.149 0.171 1.00 10.32 H new ATOM 0 HG SER A 57 -14.334 -6.566 0.738 1.00 13.59 H new ATOM 915 N ASP A 58 -10.078 -8.246 2.070 1.00 9.11 N ATOM 916 CA ASP A 58 -9.732 -9.481 2.704 1.00 7.91 C ATOM 917 C ASP A 58 -8.904 -9.132 3.892 1.00 9.12 C ATOM 918 O ASP A 58 -9.169 -9.680 4.961 1.00 8.61 O ATOM 919 CB ASP A 58 -8.934 -10.514 1.890 1.00 8.41 C ATOM 920 CG ASP A 58 -9.580 -10.912 0.571 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.647 -11.582 0.581 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.028 -10.606 -0.519 1.00 10.05 O ATOM 0 H ASP A 58 -9.577 -8.111 1.192 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.686 -9.969 2.904 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.942 -10.110 1.687 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.796 -11.409 2.497 1.00 8.41 H new ATOM 927 N TYR A 59 -7.897 -8.263 3.692 1.00 7.97 N ATOM 928 CA TYR A 59 -7.050 -7.876 4.778 1.00 8.45 C ATOM 929 C TYR A 59 -7.586 -6.937 5.803 1.00 10.98 C ATOM 930 O TYR A 59 -7.036 -6.741 6.886 1.00 12.95 O ATOM 931 CB TYR A 59 -5.728 -7.214 4.357 1.00 7.94 C ATOM 932 CG TYR A 59 -4.843 -8.142 3.598 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.566 -9.382 4.124 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.247 -7.806 2.405 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.646 -10.231 3.555 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.346 -8.649 1.799 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.120 -9.897 2.329 1.00 6.76 C ATOM 938 OH TYR A 59 -2.273 -10.778 1.624 1.00 7.63 O ATOM 0 H TYR A 59 -7.671 -7.834 2.794 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.935 -8.869 5.212 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.943 -6.339 3.744 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.203 -6.861 5.245 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.089 -9.700 5.014 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.491 -6.864 1.936 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.344 -11.138 4.058 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.819 -8.332 0.911 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.876 -10.309 0.861 1.00 7.63 H new ATOM 948 N ASN A 60 -8.751 -6.324 5.529 1.00 12.38 N ATOM 949 CA ASN A 60 -9.420 -5.356 6.341 1.00 13.94 C ATOM 950 C ASN A 60 -8.718 -4.044 6.418 1.00 14.16 C ATOM 951 O ASN A 60 -8.471 -3.535 7.511 1.00 14.26 O ATOM 952 CB ASN A 60 -9.782 -5.808 7.766 1.00 19.23 C ATOM 953 CG ASN A 60 -10.693 -7.026 7.721 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.395 -8.202 7.924 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.968 -6.741 7.344 1.00 24.09 N ATOM 0 H ASN A 60 -9.265 -6.522 4.671 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.356 -5.236 5.796 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.874 -6.045 8.321 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.277 -4.995 8.297 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.648 -7.493 7.237 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.244 -5.775 7.169 1.00 24.09 H new ATOM 962 N ILE A 61 -8.353 -3.552 5.221 1.00 11.08 N ATOM 963 CA ILE A 61 -7.793 -2.253 5.011 1.00 11.78 C ATOM 964 C ILE A 61 -8.920 -1.486 4.411 1.00 13.74 C ATOM 965 O ILE A 61 -9.380 -1.645 3.281 1.00 14.60 O ATOM 966 CB ILE A 61 -6.563 -2.275 4.152 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.495 -3.244 4.687 1.00 11.56 C ATOM 968 CG2 ILE A 61 -5.979 -0.878 3.886 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.599 -3.829 3.597 1.00 11.42 C ATOM 0 H ILE A 61 -8.453 -4.086 4.358 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.428 -1.799 5.932 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.892 -2.655 3.185 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -4.874 -2.721 5.414 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.988 -4.059 5.216 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.092 -0.968 3.259 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -6.722 -0.264 3.377 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -5.708 -0.410 4.833 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.870 -4.503 4.048 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.209 -4.380 2.882 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.077 -3.022 3.083 1.00 11.42 H new ATOM 981 N GLN A 62 -9.486 -0.564 5.209 1.00 13.97 N ATOM 982 CA GLN A 62 -10.737 0.061 4.912 1.00 15.52 C ATOM 983 C GLN A 62 -10.503 1.425 4.361 1.00 13.94 C ATOM 984 O GLN A 62 -9.423 1.982 4.167 1.00 12.15 O ATOM 985 CB GLN A 62 -11.572 0.210 6.194 1.00 19.53 C ATOM 986 CG GLN A 62 -12.209 -1.024 6.838 1.00 26.38 C ATOM 987 CD GLN A 62 -12.693 -0.851 8.270 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.435 -1.689 9.133 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.404 0.255 8.619 1.00 32.71 N ATOM 0 H GLN A 62 -9.064 -0.245 6.081 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.264 -0.560 4.187 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.933 0.675 6.945 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.375 0.915 5.978 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.054 -1.335 6.224 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.483 -1.837 6.816 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.627 0.960 7.917 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.714 0.379 9.583 1.00 32.71 H new ATOM 998 N LYS A 63 -11.615 2.162 4.188 1.00 11.73 N ATOM 999 CA LYS A 63 -11.606 3.560 3.889 1.00 11.97 C ATOM 1000 C LYS A 63 -10.970 4.399 4.944 1.00 10.41 C ATOM 1001 O LYS A 63 -11.339 4.299 6.113 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.029 4.022 3.533 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.108 5.518 3.222 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.573 5.891 2.987 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.350 6.193 4.270 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.395 7.622 4.651 1.00 25.97 N ATOM 0 H LYS A 63 -12.554 1.770 4.259 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.965 3.705 3.019 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.384 3.457 2.671 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.698 3.792 4.362 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -12.698 6.098 4.048 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.512 5.753 2.340 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.615 6.763 2.335 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.065 5.074 2.460 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.371 5.831 4.152 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -14.904 5.628 5.089 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.837 7.718 5.588 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -14.428 8.003 4.684 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.952 8.151 3.950 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.986 5.244 4.590 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.223 6.119 5.424 1.00 10.94 C ATOM 1022 C GLU A 64 -8.331 5.517 6.454 1.00 9.74 C ATOM 1023 O GLU A 64 -8.162 6.172 7.482 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.195 7.221 5.880 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.708 8.041 4.695 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.857 8.922 5.164 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.975 8.469 5.528 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.612 10.148 5.320 1.00 31.72 O ATOM 0 H GLU A 64 -9.697 5.320 3.615 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.408 6.550 4.843 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.038 6.770 6.404 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.694 7.879 6.590 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.905 8.655 4.286 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.042 7.380 3.896 1.00 24.16 H new ATOM 1035 N SER A 65 -7.836 4.289 6.219 1.00 6.85 N ATOM 1036 CA SER A 65 -6.891 3.560 7.007 1.00 6.90 C ATOM 1037 C SER A 65 -5.558 3.929 6.453 1.00 4.72 C ATOM 1038 O SER A 65 -5.339 4.366 5.325 1.00 3.91 O ATOM 1039 CB SER A 65 -7.122 2.039 7.039 1.00 7.28 C ATOM 1040 OG SER A 65 -8.160 1.703 7.947 1.00 10.56 O ATOM 0 H SER A 65 -8.127 3.758 5.398 1.00 6.85 H new ATOM 0 HA SER A 65 -6.989 3.829 8.059 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.378 1.685 6.040 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.201 1.533 7.330 1.00 7.28 H new ATOM 0 HG SER A 65 -8.291 0.732 7.950 1.00 10.56 H new ATOM 1046 N THR A 66 -4.573 3.799 7.360 1.00 4.48 N ATOM 1047 CA THR A 66 -3.189 4.091 7.149 1.00 3.80 C ATOM 1048 C THR A 66 -2.549 2.775 6.870 1.00 4.60 C ATOM 1049 O THR A 66 -2.635 1.799 7.613 1.00 5.33 O ATOM 1050 CB THR A 66 -2.442 4.822 8.225 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.172 5.947 8.690 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.151 5.376 7.598 1.00 3.40 C ATOM 0 H THR A 66 -4.758 3.467 8.306 1.00 4.48 H new ATOM 0 HA THR A 66 -3.141 4.813 6.334 1.00 3.80 H new ATOM 0 HB THR A 66 -2.263 4.133 9.050 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.661 6.402 9.391 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.581 5.915 8.355 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.552 4.552 7.211 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.404 6.054 6.783 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.817 2.687 5.745 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.740 1.751 5.647 1.00 3.85 C ATOM 1062 C LEU A 67 0.602 2.379 5.808 1.00 3.80 C ATOM 1063 O LEU A 67 0.744 3.550 5.460 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.774 1.185 4.218 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.972 0.305 3.820 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -1.703 -0.241 2.408 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.079 -0.893 4.779 1.00 8.12 C ATOM 0 H LEU A 67 -1.968 3.256 4.912 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.871 1.010 6.436 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.731 2.025 3.525 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.134 0.601 4.068 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.891 0.890 3.858 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -2.537 -0.870 2.096 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.595 0.590 1.711 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -0.786 -0.830 2.414 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.929 -1.513 4.493 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.165 -1.484 4.727 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.220 -0.532 5.798 1.00 8.12 H new ATOM 1079 N HIS A 68 1.644 1.712 6.334 1.00 2.94 N ATOM 1080 CA HIS A 68 2.984 2.211 6.363 1.00 4.17 C ATOM 1081 C HIS A 68 3.783 1.750 5.193 1.00 5.32 C ATOM 1082 O HIS A 68 3.758 0.539 4.980 1.00 7.70 O ATOM 1083 CB HIS A 68 3.829 1.976 7.627 1.00 5.57 C ATOM 1084 CG HIS A 68 3.318 2.612 8.885 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.861 3.720 9.503 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.311 2.204 9.704 1.00 12.79 C ATOM 1087 CE1 HIS A 68 3.141 3.938 10.636 1.00 14.75 C ATOM 1088 NE2 HIS A 68 2.243 2.991 10.835 1.00 16.30 N ATOM 0 H HIS A 68 1.550 0.788 6.756 1.00 2.94 H new ATOM 0 HA HIS A 68 2.788 3.283 6.342 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.909 0.902 7.793 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.837 2.345 7.440 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.652 1.374 9.496 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.286 4.783 11.293 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.635 2.869 11.644 1.00 16.30 H new ATOM 1096 N LEU A 69 4.479 2.608 4.425 1.00 5.29 N ATOM 1097 CA LEU A 69 5.308 2.337 3.291 1.00 3.97 C ATOM 1098 C LEU A 69 6.730 2.251 3.725 1.00 5.07 C ATOM 1099 O LEU A 69 7.273 3.101 4.429 1.00 4.34 O ATOM 1100 CB LEU A 69 5.232 3.424 2.205 1.00 6.08 C ATOM 1101 CG LEU A 69 5.947 3.153 0.871 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.690 1.712 0.397 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.479 4.294 -0.048 1.00 6.87 C ATOM 0 H LEU A 69 4.455 3.608 4.626 1.00 5.29 H new ATOM 0 HA LEU A 69 4.944 1.401 2.869 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.180 3.610 1.990 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.639 4.345 2.623 1.00 6.08 H new ATOM 0 HG LEU A 69 7.036 3.174 0.915 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.205 1.543 -0.548 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.063 1.011 1.144 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.620 1.560 0.259 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.941 4.184 -1.029 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.395 4.257 -0.151 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.770 5.252 0.384 1.00 6.87 H new ATOM 1115 N VAL A 70 7.342 1.114 3.350 1.00 4.29 N ATOM 1116 CA VAL A 70 8.715 0.839 3.638 1.00 6.26 C ATOM 1117 C VAL A 70 9.443 0.655 2.351 1.00 9.22 C ATOM 1118 O VAL A 70 8.996 -0.105 1.495 1.00 9.36 O ATOM 1119 CB VAL A 70 8.772 -0.392 4.494 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.099 -1.166 4.435 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.547 0.067 5.944 1.00 8.54 C ATOM 0 H VAL A 70 6.872 0.369 2.835 1.00 4.29 H new ATOM 0 HA VAL A 70 9.188 1.659 4.178 1.00 6.26 H new ATOM 0 HB VAL A 70 8.013 -1.080 4.120 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.041 -2.038 5.087 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.286 -1.490 3.411 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.912 -0.520 4.765 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.580 -0.797 6.608 1.00 8.54 H new ATOM 0 HG22 VAL A 70 9.328 0.773 6.228 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.574 0.551 6.026 1.00 8.54 H new ATOM 1131 N LEU A 71 10.527 1.441 2.217 1.00 12.71 N ATOM 1132 CA LEU A 71 11.313 1.373 1.024 1.00 16.06 C ATOM 1133 C LEU A 71 12.609 0.685 1.281 1.00 18.09 C ATOM 1134 O LEU A 71 12.875 0.193 2.376 1.00 19.26 O ATOM 1135 CB LEU A 71 11.521 2.821 0.549 1.00 17.10 C ATOM 1136 CG LEU A 71 10.244 3.603 0.200 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.617 4.990 -0.349 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.417 2.932 -0.910 1.00 17.51 C ATOM 0 H LEU A 71 10.854 2.108 2.916 1.00 12.71 H new ATOM 0 HA LEU A 71 10.809 0.790 0.253 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.056 3.365 1.328 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.166 2.806 -0.330 1.00 17.10 H new ATOM 0 HG LEU A 71 9.664 3.649 1.122 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.709 5.540 -0.595 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.182 5.540 0.404 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.225 4.875 -1.246 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.528 3.529 -1.113 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.018 2.856 -1.816 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.118 1.934 -0.588 1.00 17.51 H new ATOM 1150 N ARG A 72 13.512 0.536 0.295 1.00 21.47 N ATOM 1151 CA ARG A 72 14.745 -0.187 0.341 1.00 25.83 C ATOM 1152 C ARG A 72 15.819 0.638 0.962 1.00 27.74 C ATOM 1153 O ARG A 72 16.279 1.647 0.430 1.00 30.65 O ATOM 1154 CB ARG A 72 15.188 -0.684 -1.046 1.00 28.49 C ATOM 1155 CG ARG A 72 16.365 -1.638 -0.832 1.00 31.79 C ATOM 1156 CD ARG A 72 17.020 -2.101 -2.135 1.00 34.05 C ATOM 1157 NE ARG A 72 15.927 -2.712 -2.942 1.00 35.08 N ATOM 1158 CZ ARG A 72 15.606 -2.422 -4.237 1.00 34.67 C ATOM 1159 NH1 ARG A 72 16.243 -1.408 -4.893 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.595 -3.074 -4.881 1.00 34.97 N ATOM 0 H ARG A 72 13.362 0.963 -0.619 1.00 21.47 H new ATOM 0 HA ARG A 72 14.570 -1.067 0.959 1.00 25.83 H new ATOM 0 HB2 ARG A 72 14.368 -1.193 -1.552 1.00 28.49 H new ATOM 0 HB3 ARG A 72 15.482 0.154 -1.679 1.00 28.49 H new ATOM 0 HG2 ARG A 72 17.114 -1.145 -0.213 1.00 31.79 H new ATOM 0 HG3 ARG A 72 16.019 -2.511 -0.278 1.00 31.79 H new ATOM 0 HD2 ARG A 72 17.475 -1.263 -2.663 1.00 34.05 H new ATOM 0 HD3 ARG A 72 17.813 -2.823 -1.939 1.00 34.05 H new ATOM 0 HE ARG A 72 15.359 -3.421 -2.479 1.00 35.08 H new ATOM 0 HH11 ARG A 72 16.962 -0.864 -4.416 1.00 35.02 H new ATOM 0 HH12 ARG A 72 16.000 -1.195 -5.860 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.062 -3.795 -4.395 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.373 -2.841 -5.849 1.00 34.97 H new ATOM 1174 N LEU A 73 16.291 0.266 2.165 1.00 28.93 N ATOM 1175 CA LEU A 73 17.412 0.860 2.826 1.00 30.76 C ATOM 1176 C LEU A 73 18.482 -0.140 2.550 1.00 32.18 C ATOM 1177 O LEU A 73 19.591 0.198 2.139 1.00 32.31 O ATOM 1178 CB LEU A 73 17.104 1.030 4.323 1.00 30.53 C ATOM 1179 CG LEU A 73 15.979 2.044 4.591 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.596 2.127 6.079 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.244 3.483 4.119 1.00 29.57 C ATOM 0 H LEU A 73 15.868 -0.489 2.705 1.00 28.93 H new ATOM 0 HA LEU A 73 17.685 1.861 2.491 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.823 0.064 4.743 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.008 1.352 4.840 1.00 30.53 H new ATOM 0 HG LEU A 73 15.168 1.634 3.989 1.00 30.16 H new ATOM 0 HD11 LEU A 73 14.798 2.858 6.209 1.00 29.11 H new ATOM 0 HD12 LEU A 73 15.253 1.151 6.422 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.465 2.432 6.662 1.00 29.11 H new ATOM 0 HD21 LEU A 73 15.385 4.109 4.360 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.129 3.873 4.621 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.406 3.488 3.041 1.00 29.57 H new ATOM 1193 N ARG A 74 18.317 -1.448 2.820 1.00 33.82 N ATOM 1194 CA ARG A 74 19.318 -2.459 2.680 1.00 35.33 C ATOM 1195 C ARG A 74 19.175 -3.296 1.456 1.00 36.22 C ATOM 1196 O ARG A 74 19.993 -3.152 0.548 1.00 36.70 O ATOM 1197 CB ARG A 74 19.416 -3.435 3.864 1.00 36.91 C ATOM 1198 CG ARG A 74 20.413 -3.012 4.944 1.00 38.62 C ATOM 1199 CD ARG A 74 19.825 -1.933 5.855 1.00 39.75 C ATOM 1200 NE ARG A 74 18.690 -2.446 6.674 1.00 41.13 N ATOM 1201 CZ ARG A 74 18.100 -1.758 7.695 1.00 41.91 C ATOM 1202 NH1 ARG A 74 18.472 -0.486 8.023 1.00 42.75 N ATOM 1203 NH2 ARG A 74 17.190 -2.391 8.491 1.00 41.93 N ATOM 0 H ARG A 74 17.429 -1.821 3.157 1.00 33.82 H new ATOM 0 HA ARG A 74 20.223 -1.854 2.623 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.430 -3.540 4.317 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.700 -4.418 3.488 1.00 36.91 H new ATOM 0 HG2 ARG A 74 20.695 -3.880 5.540 1.00 38.62 H new ATOM 0 HG3 ARG A 74 21.323 -2.638 4.475 1.00 38.62 H new ATOM 0 HD2 ARG A 74 20.605 -1.553 6.515 1.00 39.75 H new ATOM 0 HD3 ARG A 74 19.483 -1.094 5.249 1.00 39.75 H new ATOM 0 HE ARG A 74 18.329 -3.375 6.457 1.00 41.13 H new ATOM 0 HH11 ARG A 74 19.213 -0.020 7.499 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.009 -0.002 8.792 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.956 -3.369 8.320 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.744 -1.886 9.257 1.00 41.93 H new ATOM 1217 N GLY A 75 18.203 -4.220 1.353 1.00 36.31 N ATOM 1218 CA GLY A 75 18.110 -5.137 0.260 1.00 36.07 C ATOM 1219 C GLY A 75 17.518 -6.426 0.717 1.00 36.16 C ATOM 1220 O GLY A 75 17.783 -6.792 1.861 1.00 36.26 O ATOM 0 H GLY A 75 17.464 -4.332 2.047 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.497 -4.708 -0.533 1.00 36.07 H new ATOM 0 HA3 GLY A 75 19.100 -5.312 -0.162 1.00 36.07 H new ATOM 1224 N GLY A 76 16.644 -7.085 -0.065 1.00 36.05 N ATOM 1225 CA GLY A 76 15.879 -8.200 0.399 1.00 36.19 C ATOM 1226 C GLY A 76 14.421 -7.928 0.743 1.00 36.20 C ATOM 1227 O GLY A 76 13.744 -8.782 1.374 1.00 36.13 O ATOM 1228 OXT GLY A 76 13.958 -6.802 0.419 1.00 36.27 O ATOM 0 H GLY A 76 16.465 -6.838 -1.038 1.00 36.05 H new ATOM 0 HA2 GLY A 76 15.910 -8.977 -0.365 1.00 36.19 H new ATOM 0 HA3 GLY A 76 16.369 -8.605 1.285 1.00 36.19 H new TER 1232 GLY A 76