USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1006 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 54 ASN : amide:sc= -5.28! C(o=-12!,f=-19!) USER MOD Set 1.2: A 85 MET CE :methyl -126:sc= -4.82! (180deg=-4.28!) USER MOD Set 1.3: A 112 MET CE :methyl -130:sc= -1.62 (180deg=-1.09) USER MOD Set 2.1: A 39 THR OG1 : rot -57:sc= 1.11 USER MOD Set 2.2: A 43 GLN : amide:sc= -0.548 K(o=0.57,f=-1.9) USER MOD Set 3.1: A 9 GLN : amide:sc= -2.35! C(o=-1.8!,f=-4.2!) USER MOD Set 3.2: A 11 LYS NZ :NH3+ 152:sc= 0.583 (180deg=-0.0708) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.14 (180deg=1.01) USER MOD Single : A 2 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.0071) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0.919 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 29 ASN : amide:sc= -0.377 K(o=-0.38,f=-4.7!) USER MOD Single : A 47 GLN : amide:sc=-0.00543 K(o=-0.0054,f=-0.86) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.79! C(o=-1.8!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 118:sc= 0.00356 USER MOD Single : A 71 GLN : amide:sc= 0.586 K(o=0.59,f=-0.16) USER MOD Single : A 74 THR OG1 : rot 94:sc= 2.18 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.174 F(o=-1.6!,f=-0.17) USER MOD Single : A 95 SER OG : rot 79:sc= 1 USER MOD Single : A 100 SER OG : rot -34:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HE2:sc= -2.17 X(o=-2.2,f=-2.6) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.936 -8.354 7.146 1.00 41.04 N ATOM 2 CA MET A 1 -20.122 -7.476 6.997 1.00 20.13 C ATOM 3 C MET A 1 -19.821 -6.366 6.003 1.00 74.35 C ATOM 4 O MET A 1 -20.067 -6.504 4.805 1.00 45.12 O ATOM 5 CB MET A 1 -20.528 -6.876 8.346 1.00 63.43 C ATOM 6 CG MET A 1 -21.018 -7.904 9.351 1.00 13.04 C ATOM 7 SD MET A 1 -21.334 -7.193 10.978 1.00 1.25 S ATOM 8 CE MET A 1 -21.918 -8.640 11.859 1.00 14.12 C ATOM 0 H1 MET A 1 -19.197 -9.201 7.690 1.00 41.04 H new ATOM 0 H2 MET A 1 -18.594 -8.638 6.206 1.00 41.04 H new ATOM 0 H3 MET A 1 -18.184 -7.839 7.647 1.00 41.04 H new ATOM 0 HA MET A 1 -20.952 -8.077 6.626 1.00 20.13 H new ATOM 0 HB2 MET A 1 -19.675 -6.346 8.769 1.00 63.43 H new ATOM 0 HB3 MET A 1 -21.313 -6.138 8.183 1.00 63.43 H new ATOM 0 HG2 MET A 1 -21.932 -8.365 8.977 1.00 13.04 H new ATOM 0 HG3 MET A 1 -20.276 -8.697 9.444 1.00 13.04 H new ATOM 0 HE1 MET A 1 -22.158 -8.368 12.887 1.00 14.12 H new ATOM 0 HE2 MET A 1 -22.811 -9.029 11.369 1.00 14.12 H new ATOM 0 HE3 MET A 1 -21.141 -9.405 11.858 1.00 14.12 H new ATOM 20 N HIS A 2 -19.285 -5.263 6.496 1.00 73.53 N ATOM 21 CA HIS A 2 -18.766 -4.219 5.629 1.00 35.14 C ATOM 22 C HIS A 2 -17.254 -4.233 5.713 1.00 15.53 C ATOM 23 O HIS A 2 -16.566 -4.134 4.694 1.00 22.22 O ATOM 24 CB HIS A 2 -19.310 -2.840 6.013 1.00 75.54 C ATOM 25 CG HIS A 2 -20.738 -2.624 5.619 1.00 64.54 C ATOM 26 ND1 HIS A 2 -21.549 -1.677 6.206 1.00 23.24 N ATOM 27 CD2 HIS A 2 -21.494 -3.227 4.670 1.00 73.40 C ATOM 28 CE1 HIS A 2 -22.740 -1.710 5.641 1.00 22.54 C ATOM 29 NE2 HIS A 2 -22.730 -2.637 4.705 1.00 53.20 N ATOM 0 H HIS A 2 -19.198 -5.067 7.493 1.00 73.53 H new ATOM 0 HA HIS A 2 -19.090 -4.415 4.607 1.00 35.14 H new ATOM 0 HB2 HIS A 2 -19.216 -2.710 7.091 1.00 75.54 H new ATOM 0 HB3 HIS A 2 -18.693 -2.073 5.545 1.00 75.54 H new ATOM 0 HD2 HIS A 2 -21.181 -4.023 4.010 1.00 73.40 H new ATOM 0 HE1 HIS A 2 -23.581 -1.084 5.901 1.00 22.54 H new ATOM 0 HE2 HIS A 2 -23.517 -2.877 4.102 1.00 53.20 H new ATOM 38 N ASP A 3 -16.761 -4.380 6.942 1.00 61.12 N ATOM 39 CA ASP A 3 -15.334 -4.509 7.210 1.00 50.55 C ATOM 40 C ASP A 3 -14.567 -3.293 6.696 1.00 41.32 C ATOM 41 O ASP A 3 -15.173 -2.266 6.382 1.00 62.22 O ATOM 42 CB ASP A 3 -14.790 -5.804 6.587 1.00 3.04 C ATOM 43 CG ASP A 3 -15.290 -7.058 7.294 1.00 31.43 C ATOM 44 OD1 ASP A 3 -16.523 -7.220 7.451 1.00 25.22 O ATOM 45 OD2 ASP A 3 -14.449 -7.887 7.702 1.00 45.22 O ATOM 0 H ASP A 3 -17.343 -4.413 7.779 1.00 61.12 H new ATOM 0 HA ASP A 3 -15.191 -4.558 8.289 1.00 50.55 H new ATOM 0 HB2 ASP A 3 -15.079 -5.845 5.537 1.00 3.04 H new ATOM 0 HB3 ASP A 3 -13.701 -5.786 6.617 1.00 3.04 H new ATOM 50 N ILE A 4 -13.235 -3.419 6.649 1.00 53.12 N ATOM 51 CA ILE A 4 -12.330 -2.373 6.138 1.00 22.14 C ATOM 52 C ILE A 4 -12.653 -0.993 6.719 1.00 21.44 C ATOM 53 O ILE A 4 -13.303 -0.882 7.758 1.00 70.11 O ATOM 54 CB ILE A 4 -12.311 -2.311 4.580 1.00 60.34 C ATOM 55 CG1 ILE A 4 -13.614 -1.735 4.006 1.00 45.01 C ATOM 56 CG2 ILE A 4 -12.063 -3.701 4.011 1.00 62.14 C ATOM 57 CD1 ILE A 4 -13.607 -1.590 2.499 1.00 65.40 C ATOM 0 H ILE A 4 -12.747 -4.256 6.967 1.00 53.12 H new ATOM 0 HA ILE A 4 -11.333 -2.657 6.474 1.00 22.14 H new ATOM 0 HB ILE A 4 -11.502 -1.641 4.288 1.00 60.34 H new ATOM 0 HG12 ILE A 4 -14.444 -2.380 4.296 1.00 45.01 H new ATOM 0 HG13 ILE A 4 -13.797 -0.759 4.455 1.00 45.01 H new ATOM 0 HG21 ILE A 4 -12.051 -3.652 2.922 1.00 62.14 H new ATOM 0 HG22 ILE A 4 -11.103 -4.074 4.368 1.00 62.14 H new ATOM 0 HG23 ILE A 4 -12.857 -4.374 4.335 1.00 62.14 H new ATOM 0 HD11 ILE A 4 -14.560 -1.177 2.169 1.00 65.40 H new ATOM 0 HD12 ILE A 4 -12.800 -0.921 2.202 1.00 65.40 H new ATOM 0 HD13 ILE A 4 -13.456 -2.567 2.040 1.00 65.40 H new ATOM 69 N ASP A 5 -12.149 0.054 6.081 1.00 24.12 N ATOM 70 CA ASP A 5 -12.511 1.410 6.466 1.00 11.21 C ATOM 71 C ASP A 5 -13.690 1.872 5.612 1.00 11.11 C ATOM 72 O ASP A 5 -14.841 1.648 5.988 1.00 51.41 O ATOM 73 CB ASP A 5 -11.307 2.355 6.328 1.00 70.30 C ATOM 74 CG ASP A 5 -11.611 3.770 6.791 1.00 31.42 C ATOM 75 OD1 ASP A 5 -12.066 4.588 5.967 1.00 30.51 O ATOM 76 OD2 ASP A 5 -11.393 4.074 7.984 1.00 14.20 O ATOM 0 H ASP A 5 -11.494 -0.008 5.301 1.00 24.12 H new ATOM 0 HA ASP A 5 -12.810 1.426 7.514 1.00 11.21 H new ATOM 0 HB2 ASP A 5 -10.473 1.960 6.907 1.00 70.30 H new ATOM 0 HB3 ASP A 5 -10.988 2.379 5.286 1.00 70.30 H new ATOM 81 N ASP A 6 -13.383 2.502 4.472 1.00 43.22 N ATOM 82 CA ASP A 6 -14.361 2.833 3.425 1.00 73.24 C ATOM 83 C ASP A 6 -13.750 3.894 2.513 1.00 62.42 C ATOM 84 O ASP A 6 -12.595 4.274 2.703 1.00 14.35 O ATOM 85 CB ASP A 6 -15.694 3.360 3.988 1.00 25.31 C ATOM 86 CG ASP A 6 -16.868 3.099 3.054 1.00 15.23 C ATOM 87 OD1 ASP A 6 -17.074 3.885 2.109 1.00 21.13 O ATOM 88 OD2 ASP A 6 -17.590 2.099 3.254 1.00 41.21 O ATOM 0 H ASP A 6 -12.434 2.801 4.246 1.00 43.22 H new ATOM 0 HA ASP A 6 -14.587 1.915 2.882 1.00 73.24 H new ATOM 0 HB2 ASP A 6 -15.889 2.889 4.951 1.00 25.31 H new ATOM 0 HB3 ASP A 6 -15.610 4.432 4.169 1.00 25.31 H new ATOM 93 N TYR A 7 -14.536 4.361 1.545 1.00 73.42 N ATOM 94 CA TYR A 7 -14.137 5.423 0.618 1.00 10.44 C ATOM 95 C TYR A 7 -12.741 5.190 0.039 1.00 72.50 C ATOM 96 O TYR A 7 -11.765 5.806 0.471 1.00 33.25 O ATOM 97 CB TYR A 7 -14.215 6.790 1.314 1.00 0.13 C ATOM 98 CG TYR A 7 -15.531 7.011 2.026 1.00 65.31 C ATOM 99 CD1 TYR A 7 -16.708 7.157 1.308 1.00 73.44 C ATOM 100 CD2 TYR A 7 -15.599 7.038 3.416 1.00 1.41 C ATOM 101 CE1 TYR A 7 -17.918 7.330 1.951 1.00 70.31 C ATOM 102 CE2 TYR A 7 -16.808 7.202 4.068 1.00 62.22 C ATOM 103 CZ TYR A 7 -17.965 7.350 3.331 1.00 73.50 C ATOM 104 OH TYR A 7 -19.174 7.505 3.975 1.00 10.41 O ATOM 0 H TYR A 7 -15.479 4.010 1.379 1.00 73.42 H new ATOM 0 HA TYR A 7 -14.835 5.408 -0.219 1.00 10.44 H new ATOM 0 HB2 TYR A 7 -13.400 6.874 2.033 1.00 0.13 H new ATOM 0 HB3 TYR A 7 -14.070 7.578 0.575 1.00 0.13 H new ATOM 0 HD1 TYR A 7 -16.678 7.135 0.229 1.00 73.44 H new ATOM 0 HD2 TYR A 7 -14.694 6.929 3.995 1.00 1.41 H new ATOM 0 HE1 TYR A 7 -18.825 7.449 1.376 1.00 70.31 H new ATOM 0 HE2 TYR A 7 -16.846 7.214 5.147 1.00 62.22 H new ATOM 0 HH TYR A 7 -19.032 7.496 4.945 1.00 10.41 H new ATOM 114 N PRO A 8 -12.634 4.285 -0.949 1.00 41.12 N ATOM 115 CA PRO A 8 -11.348 3.936 -1.570 1.00 4.42 C ATOM 116 C PRO A 8 -10.796 5.067 -2.431 1.00 63.33 C ATOM 117 O PRO A 8 -9.583 5.176 -2.611 1.00 32.14 O ATOM 118 CB PRO A 8 -11.677 2.717 -2.434 1.00 60.11 C ATOM 119 CG PRO A 8 -13.125 2.851 -2.748 1.00 1.43 C ATOM 120 CD PRO A 8 -13.755 3.532 -1.533 1.00 10.53 C ATOM 0 HA PRO A 8 -10.578 3.743 -0.823 1.00 4.42 H new ATOM 0 HB2 PRO A 8 -11.075 2.703 -3.343 1.00 60.11 H new ATOM 0 HB3 PRO A 8 -11.472 1.788 -1.901 1.00 60.11 H new ATOM 0 HG2 PRO A 8 -13.276 3.444 -3.650 1.00 1.43 H new ATOM 0 HG3 PRO A 8 -13.578 1.876 -2.928 1.00 1.43 H new ATOM 0 HD2 PRO A 8 -14.575 4.190 -1.821 1.00 10.53 H new ATOM 0 HD3 PRO A 8 -14.161 2.805 -0.830 1.00 10.53 H new ATOM 128 N GLN A 9 -11.704 5.895 -2.959 1.00 11.15 N ATOM 129 CA GLN A 9 -11.340 7.075 -3.743 1.00 61.45 C ATOM 130 C GLN A 9 -10.785 6.690 -5.122 1.00 1.31 C ATOM 131 O GLN A 9 -10.340 5.561 -5.340 1.00 44.23 O ATOM 132 CB GLN A 9 -10.323 7.922 -2.969 1.00 23.40 C ATOM 133 CG GLN A 9 -9.939 9.224 -3.651 1.00 22.32 C ATOM 134 CD GLN A 9 -8.843 9.966 -2.915 1.00 35.01 C ATOM 135 OE1 GLN A 9 -8.779 11.192 -2.953 1.00 63.00 O ATOM 136 NE2 GLN A 9 -7.960 9.230 -2.254 1.00 21.35 N ATOM 0 H GLN A 9 -12.710 5.764 -2.854 1.00 11.15 H new ATOM 0 HA GLN A 9 -12.243 7.663 -3.909 1.00 61.45 H new ATOM 0 HB2 GLN A 9 -10.732 8.149 -1.985 1.00 23.40 H new ATOM 0 HB3 GLN A 9 -9.422 7.330 -2.810 1.00 23.40 H new ATOM 0 HG2 GLN A 9 -9.610 9.013 -4.669 1.00 22.32 H new ATOM 0 HG3 GLN A 9 -10.818 9.864 -3.726 1.00 22.32 H new ATOM 0 HE21 GLN A 9 -8.047 8.214 -2.246 1.00 21.35 H new ATOM 0 HE22 GLN A 9 -7.194 9.680 -1.753 1.00 21.35 H new ATOM 145 N ALA A 10 -10.845 7.630 -6.060 1.00 61.31 N ATOM 146 CA ALA A 10 -10.285 7.436 -7.387 1.00 14.34 C ATOM 147 C ALA A 10 -9.782 8.761 -7.954 1.00 71.23 C ATOM 148 O ALA A 10 -10.554 9.552 -8.496 1.00 3.23 O ATOM 149 CB ALA A 10 -11.314 6.813 -8.316 1.00 54.12 C ATOM 0 H ALA A 10 -11.281 8.541 -5.920 1.00 61.31 H new ATOM 0 HA ALA A 10 -9.439 6.753 -7.307 1.00 14.34 H new ATOM 0 HB1 ALA A 10 -10.876 6.676 -9.305 1.00 54.12 H new ATOM 0 HB2 ALA A 10 -11.624 5.846 -7.919 1.00 54.12 H new ATOM 0 HB3 ALA A 10 -12.181 7.470 -8.391 1.00 54.12 H new ATOM 155 N LYS A 11 -8.491 9.009 -7.790 1.00 71.13 N ATOM 156 CA LYS A 11 -7.868 10.215 -8.310 1.00 3.00 C ATOM 157 C LYS A 11 -6.831 9.842 -9.357 1.00 51.51 C ATOM 158 O LYS A 11 -5.943 9.039 -9.094 1.00 71.23 O ATOM 159 CB LYS A 11 -7.204 11.019 -7.187 1.00 75.41 C ATOM 160 CG LYS A 11 -8.157 11.456 -6.087 1.00 21.30 C ATOM 161 CD LYS A 11 -9.232 12.398 -6.604 1.00 20.33 C ATOM 162 CE LYS A 11 -10.203 12.797 -5.500 1.00 1.04 C ATOM 163 NZ LYS A 11 -9.552 13.610 -4.438 1.00 23.32 N ATOM 0 H LYS A 11 -7.851 8.386 -7.297 1.00 71.13 H new ATOM 0 HA LYS A 11 -8.642 10.835 -8.763 1.00 3.00 H new ATOM 0 HB2 LYS A 11 -6.409 10.418 -6.746 1.00 75.41 H new ATOM 0 HB3 LYS A 11 -6.734 11.903 -7.617 1.00 75.41 H new ATOM 0 HG2 LYS A 11 -8.627 10.578 -5.645 1.00 21.30 H new ATOM 0 HG3 LYS A 11 -7.594 11.949 -5.295 1.00 21.30 H new ATOM 0 HD2 LYS A 11 -8.765 13.291 -7.020 1.00 20.33 H new ATOM 0 HD3 LYS A 11 -9.779 11.917 -7.415 1.00 20.33 H new ATOM 0 HE2 LYS A 11 -11.028 13.363 -5.933 1.00 1.04 H new ATOM 0 HE3 LYS A 11 -10.632 11.899 -5.055 1.00 1.04 H new ATOM 0 HZ1 LYS A 11 -10.257 14.234 -3.997 1.00 23.32 H new ATOM 0 HZ2 LYS A 11 -9.149 12.979 -3.716 1.00 23.32 H new ATOM 0 HZ3 LYS A 11 -8.794 14.186 -4.857 1.00 23.32 H new ATOM 177 N ARG A 12 -6.958 10.406 -10.542 1.00 64.10 N ATOM 178 CA ARG A 12 -6.029 10.104 -11.621 1.00 64.20 C ATOM 179 C ARG A 12 -4.940 11.166 -11.719 1.00 14.23 C ATOM 180 O ARG A 12 -3.876 10.929 -12.286 1.00 25.12 O ATOM 181 CB ARG A 12 -6.778 9.984 -12.952 1.00 14.30 C ATOM 182 CG ARG A 12 -7.452 11.272 -13.401 1.00 24.14 C ATOM 183 CD ARG A 12 -8.237 11.069 -14.686 1.00 53.11 C ATOM 184 NE ARG A 12 -9.389 10.189 -14.495 1.00 42.34 N ATOM 185 CZ ARG A 12 -9.719 9.202 -15.331 1.00 51.14 C ATOM 186 NH1 ARG A 12 -8.956 8.930 -16.384 1.00 54.33 N ATOM 187 NH2 ARG A 12 -10.807 8.480 -15.104 1.00 1.52 N ATOM 0 H ARG A 12 -7.690 11.073 -10.785 1.00 64.10 H new ATOM 0 HA ARG A 12 -5.552 9.149 -11.399 1.00 64.20 H new ATOM 0 HB2 ARG A 12 -6.078 9.664 -13.724 1.00 14.30 H new ATOM 0 HB3 ARG A 12 -7.533 9.203 -12.863 1.00 14.30 H new ATOM 0 HG2 ARG A 12 -8.121 11.627 -12.617 1.00 24.14 H new ATOM 0 HG3 ARG A 12 -6.699 12.045 -13.552 1.00 24.14 H new ATOM 0 HD2 ARG A 12 -8.578 12.035 -15.058 1.00 53.11 H new ATOM 0 HD3 ARG A 12 -7.581 10.647 -15.448 1.00 53.11 H new ATOM 0 HE ARG A 12 -9.975 10.338 -13.674 1.00 42.34 H new ATOM 0 HH11 ARG A 12 -8.112 9.477 -16.557 1.00 54.33 H new ATOM 0 HH12 ARG A 12 -9.214 8.174 -17.019 1.00 54.33 H new ATOM 0 HH21 ARG A 12 -11.391 8.679 -14.292 1.00 1.52 H new ATOM 0 HH22 ARG A 12 -11.061 7.725 -15.742 1.00 1.52 H new ATOM 201 N VAL A 13 -5.204 12.342 -11.167 1.00 1.33 N ATOM 202 CA VAL A 13 -4.255 13.447 -11.246 1.00 54.12 C ATOM 203 C VAL A 13 -4.031 14.117 -9.881 1.00 23.32 C ATOM 204 O VAL A 13 -2.892 14.208 -9.427 1.00 14.23 O ATOM 205 CB VAL A 13 -4.695 14.516 -12.280 1.00 73.30 C ATOM 206 CG1 VAL A 13 -3.693 15.660 -12.338 1.00 22.20 C ATOM 207 CG2 VAL A 13 -4.869 13.895 -13.658 1.00 55.12 C ATOM 0 H VAL A 13 -6.063 12.557 -10.661 1.00 1.33 H new ATOM 0 HA VAL A 13 -3.313 13.008 -11.575 1.00 54.12 H new ATOM 0 HB VAL A 13 -5.656 14.917 -11.958 1.00 73.30 H new ATOM 0 HG11 VAL A 13 -4.024 16.397 -13.070 1.00 22.20 H new ATOM 0 HG12 VAL A 13 -3.621 16.130 -11.357 1.00 22.20 H new ATOM 0 HG13 VAL A 13 -2.716 15.274 -12.628 1.00 22.20 H new ATOM 0 HG21 VAL A 13 -5.178 14.663 -14.367 1.00 55.12 H new ATOM 0 HG22 VAL A 13 -3.924 13.460 -13.983 1.00 55.12 H new ATOM 0 HG23 VAL A 13 -5.630 13.116 -13.613 1.00 55.12 H new ATOM 217 N PRO A 14 -5.103 14.591 -9.198 1.00 31.52 N ATOM 218 CA PRO A 14 -4.961 15.370 -7.950 1.00 71.04 C ATOM 219 C PRO A 14 -4.606 14.518 -6.727 1.00 41.24 C ATOM 220 O PRO A 14 -5.226 14.650 -5.668 1.00 62.43 O ATOM 221 CB PRO A 14 -6.343 16.003 -7.775 1.00 2.20 C ATOM 222 CG PRO A 14 -7.283 15.036 -8.404 1.00 71.42 C ATOM 223 CD PRO A 14 -6.522 14.425 -9.578 1.00 63.52 C ATOM 0 HA PRO A 14 -4.141 16.085 -8.023 1.00 71.04 H new ATOM 0 HB2 PRO A 14 -6.578 16.156 -6.722 1.00 2.20 H new ATOM 0 HB3 PRO A 14 -6.396 16.979 -8.258 1.00 2.20 H new ATOM 0 HG2 PRO A 14 -7.589 14.268 -7.693 1.00 71.42 H new ATOM 0 HG3 PRO A 14 -8.190 15.536 -8.743 1.00 71.42 H new ATOM 0 HD2 PRO A 14 -6.779 13.375 -9.719 1.00 63.52 H new ATOM 0 HD3 PRO A 14 -6.749 14.937 -10.513 1.00 63.52 H new ATOM 231 N GLY A 15 -3.588 13.677 -6.864 1.00 22.34 N ATOM 232 CA GLY A 15 -3.106 12.897 -5.740 1.00 72.41 C ATOM 233 C GLY A 15 -4.030 11.754 -5.368 1.00 53.05 C ATOM 234 O GLY A 15 -5.108 11.971 -4.818 1.00 51.41 O ATOM 0 H GLY A 15 -3.086 13.521 -7.738 1.00 22.34 H new ATOM 0 HA2 GLY A 15 -2.121 12.496 -5.979 1.00 72.41 H new ATOM 0 HA3 GLY A 15 -2.983 13.552 -4.877 1.00 72.41 H new ATOM 238 N LEU A 16 -3.605 10.538 -5.650 1.00 73.15 N ATOM 239 CA LEU A 16 -4.404 9.365 -5.342 1.00 42.12 C ATOM 240 C LEU A 16 -3.839 8.645 -4.125 1.00 53.54 C ATOM 241 O LEU A 16 -2.645 8.706 -3.850 1.00 4.35 O ATOM 242 CB LEU A 16 -4.452 8.431 -6.560 1.00 14.21 C ATOM 243 CG LEU A 16 -4.916 6.992 -6.296 1.00 24.35 C ATOM 244 CD1 LEU A 16 -6.325 6.962 -5.739 1.00 23.13 C ATOM 245 CD2 LEU A 16 -4.829 6.161 -7.567 1.00 60.45 C ATOM 0 H LEU A 16 -2.709 10.335 -6.093 1.00 73.15 H new ATOM 0 HA LEU A 16 -5.421 9.678 -5.106 1.00 42.12 H new ATOM 0 HB2 LEU A 16 -5.115 8.873 -7.304 1.00 14.21 H new ATOM 0 HB3 LEU A 16 -3.456 8.394 -7.002 1.00 14.21 H new ATOM 0 HG LEU A 16 -4.251 6.559 -5.549 1.00 24.35 H new ATOM 0 HD11 LEU A 16 -6.625 5.929 -5.563 1.00 23.13 H new ATOM 0 HD12 LEU A 16 -6.357 7.514 -4.800 1.00 23.13 H new ATOM 0 HD13 LEU A 16 -7.008 7.421 -6.453 1.00 23.13 H new ATOM 0 HD21 LEU A 16 -5.162 5.144 -7.360 1.00 60.45 H new ATOM 0 HD22 LEU A 16 -5.465 6.602 -8.334 1.00 60.45 H new ATOM 0 HD23 LEU A 16 -3.797 6.141 -7.918 1.00 60.45 H new ATOM 257 N VAL A 17 -4.710 7.993 -3.380 1.00 21.21 N ATOM 258 CA VAL A 17 -4.294 7.179 -2.262 1.00 72.24 C ATOM 259 C VAL A 17 -5.309 6.078 -1.989 1.00 23.35 C ATOM 260 O VAL A 17 -6.503 6.340 -1.835 1.00 74.12 O ATOM 261 CB VAL A 17 -4.048 8.022 -0.991 1.00 72.13 C ATOM 262 CG1 VAL A 17 -5.163 9.023 -0.763 1.00 12.23 C ATOM 263 CG2 VAL A 17 -3.886 7.124 0.217 1.00 61.50 C ATOM 0 H VAL A 17 -5.718 8.014 -3.533 1.00 21.21 H new ATOM 0 HA VAL A 17 -3.344 6.718 -2.534 1.00 72.24 H new ATOM 0 HB VAL A 17 -3.125 8.583 -1.138 1.00 72.13 H new ATOM 0 HG11 VAL A 17 -4.957 9.598 0.140 1.00 12.23 H new ATOM 0 HG12 VAL A 17 -5.227 9.698 -1.617 1.00 12.23 H new ATOM 0 HG13 VAL A 17 -6.109 8.494 -0.648 1.00 12.23 H new ATOM 0 HG21 VAL A 17 -3.713 7.734 1.104 1.00 61.50 H new ATOM 0 HG22 VAL A 17 -4.791 6.532 0.354 1.00 61.50 H new ATOM 0 HG23 VAL A 17 -3.037 6.458 0.064 1.00 61.50 H new ATOM 273 N VAL A 18 -4.820 4.847 -1.967 1.00 10.11 N ATOM 274 CA VAL A 18 -5.652 3.685 -1.702 1.00 45.21 C ATOM 275 C VAL A 18 -5.301 3.112 -0.331 1.00 73.54 C ATOM 276 O VAL A 18 -4.149 3.172 0.099 1.00 43.11 O ATOM 277 CB VAL A 18 -5.466 2.610 -2.798 1.00 70.32 C ATOM 278 CG1 VAL A 18 -6.361 1.402 -2.548 1.00 54.02 C ATOM 279 CG2 VAL A 18 -5.735 3.200 -4.177 1.00 34.52 C ATOM 0 H VAL A 18 -3.838 4.627 -2.132 1.00 10.11 H new ATOM 0 HA VAL A 18 -6.698 3.992 -1.710 1.00 45.21 H new ATOM 0 HB VAL A 18 -4.431 2.271 -2.760 1.00 70.32 H new ATOM 0 HG11 VAL A 18 -6.206 0.665 -3.336 1.00 54.02 H new ATOM 0 HG12 VAL A 18 -6.113 0.959 -1.583 1.00 54.02 H new ATOM 0 HG13 VAL A 18 -7.405 1.717 -2.546 1.00 54.02 H new ATOM 0 HG21 VAL A 18 -5.599 2.429 -4.935 1.00 34.52 H new ATOM 0 HG22 VAL A 18 -6.758 3.575 -4.219 1.00 34.52 H new ATOM 0 HG23 VAL A 18 -5.041 4.019 -4.364 1.00 34.52 H new ATOM 289 N TYR A 19 -6.291 2.568 0.354 1.00 21.30 N ATOM 290 CA TYR A 19 -6.121 2.136 1.736 1.00 3.42 C ATOM 291 C TYR A 19 -5.946 0.623 1.825 1.00 35.24 C ATOM 292 O TYR A 19 -6.396 -0.117 0.946 1.00 31.51 O ATOM 293 CB TYR A 19 -7.347 2.537 2.566 1.00 42.31 C ATOM 294 CG TYR A 19 -7.724 4.005 2.470 1.00 44.41 C ATOM 295 CD1 TYR A 19 -8.299 4.521 1.314 1.00 32.32 C ATOM 296 CD2 TYR A 19 -7.511 4.872 3.536 1.00 74.11 C ATOM 297 CE1 TYR A 19 -8.645 5.853 1.220 1.00 72.32 C ATOM 298 CE2 TYR A 19 -7.855 6.208 3.447 1.00 15.12 C ATOM 299 CZ TYR A 19 -8.421 6.691 2.288 1.00 22.14 C ATOM 300 OH TYR A 19 -8.768 8.021 2.192 1.00 64.10 O ATOM 0 H TYR A 19 -7.226 2.413 -0.023 1.00 21.30 H new ATOM 0 HA TYR A 19 -5.226 2.621 2.125 1.00 3.42 H new ATOM 0 HB2 TYR A 19 -8.198 1.935 2.247 1.00 42.31 H new ATOM 0 HB3 TYR A 19 -7.158 2.292 3.611 1.00 42.31 H new ATOM 0 HD1 TYR A 19 -8.478 3.867 0.474 1.00 32.32 H new ATOM 0 HD2 TYR A 19 -7.070 4.496 4.447 1.00 74.11 H new ATOM 0 HE1 TYR A 19 -9.089 6.236 0.313 1.00 72.32 H new ATOM 0 HE2 TYR A 19 -7.681 6.870 4.282 1.00 15.12 H new ATOM 0 HH TYR A 19 -8.547 8.478 3.030 1.00 64.10 H new ATOM 310 N ARG A 20 -5.277 0.175 2.882 1.00 2.24 N ATOM 311 CA ARG A 20 -5.270 -1.236 3.236 1.00 41.12 C ATOM 312 C ARG A 20 -6.607 -1.590 3.880 1.00 5.44 C ATOM 313 O ARG A 20 -7.406 -0.704 4.182 1.00 14.23 O ATOM 314 CB ARG A 20 -4.086 -1.566 4.157 1.00 32.30 C ATOM 315 CG ARG A 20 -2.806 -1.869 3.386 1.00 44.35 C ATOM 316 CD ARG A 20 -1.556 -1.849 4.263 1.00 42.23 C ATOM 317 NE ARG A 20 -1.603 -2.799 5.380 1.00 52.14 N ATOM 318 CZ ARG A 20 -1.252 -4.090 5.300 1.00 1.13 C ATOM 319 NH1 ARG A 20 -0.944 -4.642 4.132 1.00 32.22 N ATOM 320 NH2 ARG A 20 -1.198 -4.834 6.395 1.00 34.22 N ATOM 0 H ARG A 20 -4.733 0.770 3.507 1.00 2.24 H new ATOM 0 HA ARG A 20 -5.143 -1.840 2.337 1.00 41.12 H new ATOM 0 HB2 ARG A 20 -3.910 -0.727 4.830 1.00 32.30 H new ATOM 0 HB3 ARG A 20 -4.343 -2.424 4.778 1.00 32.30 H new ATOM 0 HG2 ARG A 20 -2.896 -2.848 2.916 1.00 44.35 H new ATOM 0 HG3 ARG A 20 -2.691 -1.139 2.584 1.00 44.35 H new ATOM 0 HD2 ARG A 20 -0.686 -2.071 3.645 1.00 42.23 H new ATOM 0 HD3 ARG A 20 -1.417 -0.843 4.659 1.00 42.23 H new ATOM 0 HE ARG A 20 -1.926 -2.452 6.283 1.00 52.14 H new ATOM 0 HH11 ARG A 20 -0.973 -4.082 3.280 1.00 32.22 H new ATOM 0 HH12 ARG A 20 -0.679 -5.626 4.087 1.00 32.22 H new ATOM 0 HH21 ARG A 20 -1.424 -4.424 7.301 1.00 34.22 H new ATOM 0 HH22 ARG A 20 -0.931 -5.816 6.331 1.00 34.22 H new ATOM 334 N TYR A 21 -6.864 -2.869 4.082 1.00 14.31 N ATOM 335 CA TYR A 21 -8.201 -3.298 4.456 1.00 1.50 C ATOM 336 C TYR A 21 -8.244 -3.831 5.880 1.00 33.31 C ATOM 337 O TYR A 21 -7.400 -4.628 6.276 1.00 64.32 O ATOM 338 CB TYR A 21 -8.686 -4.375 3.483 1.00 73.53 C ATOM 339 CG TYR A 21 -8.488 -4.000 2.028 1.00 23.42 C ATOM 340 CD1 TYR A 21 -9.443 -3.265 1.334 1.00 33.23 C ATOM 341 CD2 TYR A 21 -7.333 -4.371 1.356 1.00 10.35 C ATOM 342 CE1 TYR A 21 -9.247 -2.915 0.009 1.00 42.12 C ATOM 343 CE2 TYR A 21 -7.130 -4.021 0.038 1.00 13.24 C ATOM 344 CZ TYR A 21 -8.087 -3.296 -0.631 1.00 15.03 C ATOM 345 OH TYR A 21 -7.877 -2.950 -1.950 1.00 14.15 O ATOM 0 H TYR A 21 -6.178 -3.619 3.996 1.00 14.31 H new ATOM 0 HA TYR A 21 -8.858 -2.430 4.407 1.00 1.50 H new ATOM 0 HB2 TYR A 21 -8.155 -5.305 3.687 1.00 73.53 H new ATOM 0 HB3 TYR A 21 -9.744 -4.566 3.661 1.00 73.53 H new ATOM 0 HD1 TYR A 21 -10.350 -2.963 1.836 1.00 33.23 H new ATOM 0 HD2 TYR A 21 -6.579 -4.944 1.875 1.00 10.35 H new ATOM 0 HE1 TYR A 21 -9.998 -2.347 -0.520 1.00 42.12 H new ATOM 0 HE2 TYR A 21 -6.222 -4.316 -0.467 1.00 13.24 H new ATOM 0 HH TYR A 21 -8.332 -2.104 -2.143 1.00 14.15 H new ATOM 355 N ASP A 22 -9.236 -3.385 6.640 1.00 23.55 N ATOM 356 CA ASP A 22 -9.480 -3.907 7.983 1.00 72.41 C ATOM 357 C ASP A 22 -10.304 -5.187 7.903 1.00 24.14 C ATOM 358 O ASP A 22 -11.345 -5.306 8.550 1.00 0.32 O ATOM 359 CB ASP A 22 -10.231 -2.885 8.845 1.00 50.43 C ATOM 360 CG ASP A 22 -9.349 -1.791 9.412 1.00 5.43 C ATOM 361 OD1 ASP A 22 -8.121 -1.859 9.245 1.00 32.45 O ATOM 362 OD2 ASP A 22 -9.892 -0.862 10.052 1.00 21.14 O ATOM 0 H ASP A 22 -9.890 -2.658 6.349 1.00 23.55 H new ATOM 0 HA ASP A 22 -8.513 -4.113 8.442 1.00 72.41 H new ATOM 0 HB2 ASP A 22 -11.019 -2.428 8.246 1.00 50.43 H new ATOM 0 HB3 ASP A 22 -10.719 -3.408 9.668 1.00 50.43 H new ATOM 367 N ALA A 23 -9.845 -6.139 7.101 1.00 34.52 N ATOM 368 CA ALA A 23 -10.564 -7.390 6.926 1.00 71.32 C ATOM 369 C ALA A 23 -9.620 -8.543 6.638 1.00 22.44 C ATOM 370 O ALA A 23 -8.847 -8.493 5.683 1.00 73.23 O ATOM 371 CB ALA A 23 -11.559 -7.260 5.794 1.00 21.13 C ATOM 0 H ALA A 23 -8.981 -6.068 6.564 1.00 34.52 H new ATOM 0 HA ALA A 23 -11.087 -7.603 7.858 1.00 71.32 H new ATOM 0 HB1 ALA A 23 -12.094 -8.202 5.669 1.00 21.13 H new ATOM 0 HB2 ALA A 23 -12.270 -6.467 6.024 1.00 21.13 H new ATOM 0 HB3 ALA A 23 -11.031 -7.018 4.872 1.00 21.13 H new ATOM 377 N PRO A 24 -9.667 -9.591 7.473 1.00 13.12 N ATOM 378 CA PRO A 24 -8.851 -10.798 7.289 1.00 21.15 C ATOM 379 C PRO A 24 -9.082 -11.457 5.940 1.00 0.44 C ATOM 380 O PRO A 24 -10.156 -12.002 5.672 1.00 21.03 O ATOM 381 CB PRO A 24 -9.308 -11.725 8.419 1.00 21.43 C ATOM 382 CG PRO A 24 -9.829 -10.802 9.455 1.00 54.11 C ATOM 383 CD PRO A 24 -10.506 -9.681 8.676 1.00 63.14 C ATOM 0 HA PRO A 24 -7.786 -10.568 7.315 1.00 21.15 H new ATOM 0 HB2 PRO A 24 -10.077 -12.418 8.079 1.00 21.43 H new ATOM 0 HB3 PRO A 24 -8.483 -12.327 8.800 1.00 21.43 H new ATOM 0 HG2 PRO A 24 -10.535 -11.307 10.115 1.00 54.11 H new ATOM 0 HG3 PRO A 24 -9.025 -10.418 10.082 1.00 54.11 H new ATOM 0 HD2 PRO A 24 -11.541 -9.921 8.434 1.00 63.14 H new ATOM 0 HD3 PRO A 24 -10.518 -8.746 9.235 1.00 63.14 H new ATOM 391 N LEU A 25 -8.077 -11.383 5.085 1.00 12.25 N ATOM 392 CA LEU A 25 -8.144 -12.019 3.784 1.00 4.44 C ATOM 393 C LEU A 25 -6.928 -12.907 3.556 1.00 2.23 C ATOM 394 O LEU A 25 -6.912 -13.710 2.621 1.00 64.21 O ATOM 395 CB LEU A 25 -8.334 -10.975 2.645 1.00 63.40 C ATOM 396 CG LEU A 25 -7.193 -9.972 2.325 1.00 2.03 C ATOM 397 CD1 LEU A 25 -6.631 -9.294 3.563 1.00 45.41 C ATOM 398 CD2 LEU A 25 -6.084 -10.629 1.524 1.00 63.52 C ATOM 0 H LEU A 25 -7.205 -10.888 5.270 1.00 12.25 H new ATOM 0 HA LEU A 25 -9.025 -12.661 3.764 1.00 4.44 H new ATOM 0 HB2 LEU A 25 -8.549 -11.527 1.730 1.00 63.40 H new ATOM 0 HB3 LEU A 25 -9.224 -10.392 2.882 1.00 63.40 H new ATOM 0 HG LEU A 25 -7.645 -9.190 1.715 1.00 2.03 H new ATOM 0 HD11 LEU A 25 -5.838 -8.606 3.272 1.00 45.41 H new ATOM 0 HD12 LEU A 25 -7.424 -8.742 4.067 1.00 45.41 H new ATOM 0 HD13 LEU A 25 -6.228 -10.048 4.239 1.00 45.41 H new ATOM 0 HD21 LEU A 25 -5.302 -9.898 1.318 1.00 63.52 H new ATOM 0 HD22 LEU A 25 -5.665 -11.458 2.095 1.00 63.52 H new ATOM 0 HD23 LEU A 25 -6.488 -11.004 0.583 1.00 63.52 H new ATOM 410 N CYS A 26 -5.933 -12.784 4.448 1.00 1.25 N ATOM 411 CA CYS A 26 -4.671 -13.526 4.349 1.00 31.02 C ATOM 412 C CYS A 26 -3.910 -13.099 3.096 1.00 3.13 C ATOM 413 O CYS A 26 -2.944 -12.336 3.176 1.00 62.33 O ATOM 414 CB CYS A 26 -4.923 -15.044 4.347 1.00 2.44 C ATOM 415 SG CYS A 26 -5.875 -15.640 5.766 1.00 13.45 S ATOM 0 H CYS A 26 -5.983 -12.166 5.258 1.00 1.25 H new ATOM 0 HA CYS A 26 -4.062 -13.293 5.223 1.00 31.02 H new ATOM 0 HB2 CYS A 26 -5.450 -15.312 3.432 1.00 2.44 H new ATOM 0 HB3 CYS A 26 -3.963 -15.560 4.325 1.00 2.44 H new ATOM 0 HG CYS A 26 -6.035 -16.927 5.671 1.00 13.45 H new ATOM 421 N PHE A 27 -4.363 -13.607 1.955 1.00 43.42 N ATOM 422 CA PHE A 27 -3.944 -13.132 0.645 1.00 32.42 C ATOM 423 C PHE A 27 -4.918 -13.665 -0.409 1.00 75.13 C ATOM 424 O PHE A 27 -5.722 -12.904 -0.936 1.00 52.00 O ATOM 425 CB PHE A 27 -2.481 -13.490 0.315 1.00 50.21 C ATOM 426 CG PHE A 27 -2.147 -14.963 0.306 1.00 30.12 C ATOM 427 CD1 PHE A 27 -2.197 -15.717 1.468 1.00 51.43 C ATOM 428 CD2 PHE A 27 -1.772 -15.586 -0.876 1.00 44.42 C ATOM 429 CE1 PHE A 27 -1.884 -17.062 1.451 1.00 62.10 C ATOM 430 CE2 PHE A 27 -1.460 -16.931 -0.897 1.00 52.14 C ATOM 431 CZ PHE A 27 -1.516 -17.670 0.267 1.00 21.12 C ATOM 0 H PHE A 27 -5.040 -14.369 1.915 1.00 43.42 H new ATOM 0 HA PHE A 27 -3.974 -12.042 0.648 1.00 32.42 H new ATOM 0 HB2 PHE A 27 -2.238 -13.076 -0.664 1.00 50.21 H new ATOM 0 HB3 PHE A 27 -1.834 -12.995 1.039 1.00 50.21 H new ATOM 0 HD1 PHE A 27 -2.484 -15.247 2.397 1.00 51.43 H new ATOM 0 HD2 PHE A 27 -1.724 -15.012 -1.790 1.00 44.42 H new ATOM 0 HE1 PHE A 27 -1.927 -17.638 2.363 1.00 62.10 H new ATOM 0 HE2 PHE A 27 -1.172 -17.404 -1.824 1.00 52.14 H new ATOM 0 HZ PHE A 27 -1.272 -18.722 0.252 1.00 21.12 H new ATOM 441 N ALA A 28 -4.865 -14.973 -0.667 1.00 62.11 N ATOM 442 CA ALA A 28 -5.775 -15.651 -1.597 1.00 53.43 C ATOM 443 C ALA A 28 -5.772 -15.012 -2.989 1.00 71.24 C ATOM 444 O ALA A 28 -5.011 -15.415 -3.867 1.00 33.54 O ATOM 445 CB ALA A 28 -7.187 -15.698 -1.023 1.00 4.14 C ATOM 0 H ALA A 28 -4.185 -15.598 -0.234 1.00 62.11 H new ATOM 0 HA ALA A 28 -5.410 -16.671 -1.719 1.00 53.43 H new ATOM 0 HB1 ALA A 28 -7.849 -16.204 -1.726 1.00 4.14 H new ATOM 0 HB2 ALA A 28 -7.178 -16.241 -0.078 1.00 4.14 H new ATOM 0 HB3 ALA A 28 -7.545 -14.682 -0.854 1.00 4.14 H new ATOM 451 N ASN A 29 -6.616 -14.008 -3.176 1.00 64.21 N ATOM 452 CA ASN A 29 -6.757 -13.344 -4.462 1.00 23.42 C ATOM 453 C ASN A 29 -5.922 -12.069 -4.516 1.00 14.23 C ATOM 454 O ASN A 29 -5.763 -11.476 -5.577 1.00 21.33 O ATOM 455 CB ASN A 29 -8.235 -13.024 -4.742 1.00 22.41 C ATOM 456 CG ASN A 29 -8.907 -12.220 -3.634 1.00 31.02 C ATOM 457 OD1 ASN A 29 -8.274 -11.424 -2.940 1.00 63.03 O ATOM 458 ND2 ASN A 29 -10.201 -12.430 -3.456 1.00 54.12 N ATOM 0 H ASN A 29 -7.219 -13.633 -2.444 1.00 64.21 H new ATOM 0 HA ASN A 29 -6.391 -14.023 -5.232 1.00 23.42 H new ATOM 0 HB2 ASN A 29 -8.307 -12.468 -5.677 1.00 22.41 H new ATOM 0 HB3 ASN A 29 -8.780 -13.958 -4.883 1.00 22.41 H new ATOM 0 HD21 ASN A 29 -10.704 -11.925 -2.726 1.00 54.12 H new ATOM 0 HD22 ASN A 29 -10.696 -13.097 -4.049 1.00 54.12 H new ATOM 465 N ALA A 30 -5.364 -11.689 -3.368 1.00 10.42 N ATOM 466 CA ALA A 30 -4.670 -10.406 -3.194 1.00 64.04 C ATOM 467 C ALA A 30 -3.619 -10.122 -4.266 1.00 34.42 C ATOM 468 O ALA A 30 -3.350 -8.968 -4.563 1.00 71.45 O ATOM 469 CB ALA A 30 -4.026 -10.341 -1.819 1.00 32.24 C ATOM 0 H ALA A 30 -5.379 -12.263 -2.525 1.00 10.42 H new ATOM 0 HA ALA A 30 -5.434 -9.635 -3.295 1.00 64.04 H new ATOM 0 HB1 ALA A 30 -3.515 -9.386 -1.702 1.00 32.24 H new ATOM 0 HB2 ALA A 30 -4.795 -10.438 -1.052 1.00 32.24 H new ATOM 0 HB3 ALA A 30 -3.306 -11.153 -1.716 1.00 32.24 H new ATOM 475 N GLU A 31 -3.025 -11.162 -4.835 1.00 20.41 N ATOM 476 CA GLU A 31 -2.011 -10.985 -5.871 1.00 10.04 C ATOM 477 C GLU A 31 -2.647 -10.413 -7.138 1.00 23.00 C ATOM 478 O GLU A 31 -2.439 -9.242 -7.495 1.00 70.44 O ATOM 479 CB GLU A 31 -1.324 -12.332 -6.154 1.00 34.20 C ATOM 480 CG GLU A 31 -0.168 -12.267 -7.147 1.00 54.15 C ATOM 481 CD GLU A 31 -0.602 -12.433 -8.592 1.00 53.32 C ATOM 482 OE1 GLU A 31 -0.961 -13.567 -8.982 1.00 72.52 O ATOM 483 OE2 GLU A 31 -0.576 -11.441 -9.342 1.00 11.21 O ATOM 0 H GLU A 31 -3.225 -12.134 -4.600 1.00 20.41 H new ATOM 0 HA GLU A 31 -1.257 -10.278 -5.526 1.00 10.04 H new ATOM 0 HB2 GLU A 31 -0.953 -12.739 -5.213 1.00 34.20 H new ATOM 0 HB3 GLU A 31 -2.070 -13.031 -6.532 1.00 34.20 H new ATOM 0 HG2 GLU A 31 0.342 -11.310 -7.037 1.00 54.15 H new ATOM 0 HG3 GLU A 31 0.556 -13.044 -6.902 1.00 54.15 H new ATOM 490 N ASP A 32 -3.462 -11.234 -7.781 1.00 24.24 N ATOM 491 CA ASP A 32 -4.089 -10.869 -9.038 1.00 70.53 C ATOM 492 C ASP A 32 -5.103 -9.751 -8.836 1.00 64.34 C ATOM 493 O ASP A 32 -5.255 -8.872 -9.685 1.00 41.33 O ATOM 494 CB ASP A 32 -4.755 -12.092 -9.658 1.00 25.11 C ATOM 495 CG ASP A 32 -5.431 -11.774 -10.971 1.00 20.24 C ATOM 496 OD1 ASP A 32 -4.725 -11.601 -11.984 1.00 33.31 O ATOM 497 OD2 ASP A 32 -6.673 -11.711 -10.999 1.00 51.05 O ATOM 0 H ASP A 32 -3.706 -12.167 -7.447 1.00 24.24 H new ATOM 0 HA ASP A 32 -3.319 -10.502 -9.717 1.00 70.53 H new ATOM 0 HB2 ASP A 32 -4.007 -12.869 -9.816 1.00 25.11 H new ATOM 0 HB3 ASP A 32 -5.491 -12.494 -8.961 1.00 25.11 H new ATOM 502 N PHE A 33 -5.778 -9.783 -7.695 1.00 32.25 N ATOM 503 CA PHE A 33 -6.728 -8.745 -7.336 1.00 3.41 C ATOM 504 C PHE A 33 -6.032 -7.391 -7.203 1.00 54.34 C ATOM 505 O PHE A 33 -6.542 -6.380 -7.686 1.00 14.12 O ATOM 506 CB PHE A 33 -7.446 -9.115 -6.029 1.00 50.05 C ATOM 507 CG PHE A 33 -7.950 -7.935 -5.255 1.00 21.12 C ATOM 508 CD1 PHE A 33 -8.997 -7.167 -5.739 1.00 71.24 C ATOM 509 CD2 PHE A 33 -7.365 -7.585 -4.048 1.00 14.42 C ATOM 510 CE1 PHE A 33 -9.447 -6.067 -5.038 1.00 21.32 C ATOM 511 CE2 PHE A 33 -7.816 -6.489 -3.341 1.00 61.10 C ATOM 512 CZ PHE A 33 -8.856 -5.729 -3.840 1.00 31.14 C ATOM 0 H PHE A 33 -5.682 -10.523 -6.999 1.00 32.25 H new ATOM 0 HA PHE A 33 -7.468 -8.665 -8.132 1.00 3.41 H new ATOM 0 HB2 PHE A 33 -8.286 -9.770 -6.261 1.00 50.05 H new ATOM 0 HB3 PHE A 33 -6.762 -9.684 -5.399 1.00 50.05 H new ATOM 0 HD1 PHE A 33 -9.466 -7.432 -6.675 1.00 71.24 H new ATOM 0 HD2 PHE A 33 -6.549 -8.175 -3.658 1.00 14.42 H new ATOM 0 HE1 PHE A 33 -10.260 -5.472 -5.427 1.00 21.32 H new ATOM 0 HE2 PHE A 33 -7.357 -6.226 -2.400 1.00 61.10 H new ATOM 0 HZ PHE A 33 -9.207 -4.868 -3.290 1.00 31.14 H new ATOM 522 N ARG A 34 -4.860 -7.377 -6.568 1.00 41.43 N ATOM 523 CA ARG A 34 -4.132 -6.134 -6.363 1.00 4.32 C ATOM 524 C ARG A 34 -3.805 -5.493 -7.691 1.00 33.31 C ATOM 525 O ARG A 34 -4.091 -4.310 -7.900 1.00 15.21 O ATOM 526 CB ARG A 34 -2.833 -6.352 -5.588 1.00 43.12 C ATOM 527 CG ARG A 34 -2.096 -5.056 -5.271 1.00 22.30 C ATOM 528 CD ARG A 34 -2.929 -4.161 -4.365 1.00 60.24 C ATOM 529 NE ARG A 34 -3.373 -4.872 -3.167 1.00 54.30 N ATOM 530 CZ ARG A 34 -4.545 -4.670 -2.564 1.00 53.40 C ATOM 531 NH1 ARG A 34 -5.377 -3.732 -3.010 1.00 21.55 N ATOM 532 NH2 ARG A 34 -4.877 -5.405 -1.507 1.00 73.51 N ATOM 0 H ARG A 34 -4.401 -8.206 -6.191 1.00 41.43 H new ATOM 0 HA ARG A 34 -4.778 -5.480 -5.777 1.00 4.32 H new ATOM 0 HB2 ARG A 34 -3.057 -6.872 -4.656 1.00 43.12 H new ATOM 0 HB3 ARG A 34 -2.177 -7.003 -6.167 1.00 43.12 H new ATOM 0 HG2 ARG A 34 -1.145 -5.283 -4.789 1.00 22.30 H new ATOM 0 HG3 ARG A 34 -1.866 -4.529 -6.197 1.00 22.30 H new ATOM 0 HD2 ARG A 34 -2.343 -3.289 -4.075 1.00 60.24 H new ATOM 0 HD3 ARG A 34 -3.796 -3.794 -4.913 1.00 60.24 H new ATOM 0 HE ARG A 34 -2.745 -5.568 -2.766 1.00 54.30 H new ATOM 0 HH11 ARG A 34 -5.119 -3.164 -3.817 1.00 21.55 H new ATOM 0 HH12 ARG A 34 -6.272 -3.582 -2.545 1.00 21.55 H new ATOM 0 HH21 ARG A 34 -4.236 -6.119 -1.161 1.00 73.51 H new ATOM 0 HH22 ARG A 34 -5.772 -5.254 -1.042 1.00 73.51 H new ATOM 546 N ARG A 35 -3.209 -6.271 -8.590 1.00 23.21 N ATOM 547 CA ARG A 35 -2.856 -5.735 -9.887 1.00 72.44 C ATOM 548 C ARG A 35 -4.110 -5.348 -10.663 1.00 3.14 C ATOM 549 O ARG A 35 -4.312 -4.179 -10.922 1.00 43.32 O ATOM 550 CB ARG A 35 -1.957 -6.681 -10.699 1.00 54.24 C ATOM 551 CG ARG A 35 -2.495 -8.086 -10.888 1.00 2.23 C ATOM 552 CD ARG A 35 -1.653 -8.858 -11.889 1.00 25.21 C ATOM 553 NE ARG A 35 -2.038 -10.266 -11.967 1.00 42.02 N ATOM 554 CZ ARG A 35 -1.442 -11.158 -12.755 1.00 23.03 C ATOM 555 NH1 ARG A 35 -0.508 -10.776 -13.614 1.00 3.30 N ATOM 556 NH2 ARG A 35 -1.797 -12.435 -12.703 1.00 41.10 N ATOM 0 H ARG A 35 -2.968 -7.251 -8.444 1.00 23.21 H new ATOM 0 HA ARG A 35 -2.265 -4.836 -9.714 1.00 72.44 H new ATOM 0 HB2 ARG A 35 -1.787 -6.240 -11.681 1.00 54.24 H new ATOM 0 HB3 ARG A 35 -0.987 -6.745 -10.206 1.00 54.24 H new ATOM 0 HG2 ARG A 35 -2.501 -8.609 -9.932 1.00 2.23 H new ATOM 0 HG3 ARG A 35 -3.528 -8.041 -11.233 1.00 2.23 H new ATOM 0 HD2 ARG A 35 -1.753 -8.401 -12.874 1.00 25.21 H new ATOM 0 HD3 ARG A 35 -0.602 -8.786 -11.609 1.00 25.21 H new ATOM 0 HE ARG A 35 -2.810 -10.584 -11.382 1.00 42.02 H new ATOM 0 HH11 ARG A 35 -0.242 -9.793 -13.674 1.00 3.30 H new ATOM 0 HH12 ARG A 35 -0.055 -11.465 -14.215 1.00 3.30 H new ATOM 0 HH21 ARG A 35 -2.528 -12.735 -12.058 1.00 41.10 H new ATOM 0 HH22 ARG A 35 -1.339 -13.117 -13.308 1.00 41.10 H new ATOM 570 N ARG A 36 -4.991 -6.298 -10.962 1.00 52.32 N ATOM 571 CA ARG A 36 -6.144 -6.006 -11.818 1.00 30.42 C ATOM 572 C ARG A 36 -6.882 -4.745 -11.375 1.00 53.41 C ATOM 573 O ARG A 36 -7.171 -3.876 -12.193 1.00 61.14 O ATOM 574 CB ARG A 36 -7.114 -7.184 -11.869 1.00 1.43 C ATOM 575 CG ARG A 36 -6.551 -8.397 -12.582 1.00 42.31 C ATOM 576 CD ARG A 36 -7.643 -9.380 -12.959 1.00 23.13 C ATOM 577 NE ARG A 36 -7.087 -10.599 -13.540 1.00 5.41 N ATOM 578 CZ ARG A 36 -7.483 -11.130 -14.694 1.00 74.41 C ATOM 579 NH1 ARG A 36 -8.451 -10.554 -15.402 1.00 70.40 N ATOM 580 NH2 ARG A 36 -6.904 -12.235 -15.141 1.00 14.22 N ATOM 0 H ARG A 36 -4.934 -7.262 -10.633 1.00 52.32 H new ATOM 0 HA ARG A 36 -5.749 -5.834 -12.819 1.00 30.42 H new ATOM 0 HB2 ARG A 36 -7.387 -7.464 -10.852 1.00 1.43 H new ATOM 0 HB3 ARG A 36 -8.030 -6.870 -12.370 1.00 1.43 H new ATOM 0 HG2 ARG A 36 -6.021 -8.079 -13.480 1.00 42.31 H new ATOM 0 HG3 ARG A 36 -5.822 -8.891 -11.940 1.00 42.31 H new ATOM 0 HD2 ARG A 36 -8.229 -9.631 -12.075 1.00 23.13 H new ATOM 0 HD3 ARG A 36 -8.324 -8.914 -13.671 1.00 23.13 H new ATOM 0 HE ARG A 36 -6.345 -11.075 -13.027 1.00 5.41 H new ATOM 0 HH11 ARG A 36 -8.894 -9.701 -15.061 1.00 70.40 H new ATOM 0 HH12 ARG A 36 -8.750 -10.966 -16.286 1.00 70.40 H new ATOM 0 HH21 ARG A 36 -6.159 -12.674 -14.601 1.00 14.22 H new ATOM 0 HH22 ARG A 36 -7.204 -12.646 -16.025 1.00 14.22 H new ATOM 594 N ALA A 37 -7.136 -4.618 -10.077 1.00 44.23 N ATOM 595 CA ALA A 37 -7.883 -3.479 -9.560 1.00 43.43 C ATOM 596 C ALA A 37 -7.093 -2.178 -9.702 1.00 4.13 C ATOM 597 O ALA A 37 -7.446 -1.316 -10.504 1.00 60.22 O ATOM 598 CB ALA A 37 -8.268 -3.713 -8.109 1.00 62.51 C ATOM 0 H ALA A 37 -6.837 -5.287 -9.367 1.00 44.23 H new ATOM 0 HA ALA A 37 -8.792 -3.380 -10.154 1.00 43.43 H new ATOM 0 HB1 ALA A 37 -8.825 -2.853 -7.737 1.00 62.51 H new ATOM 0 HB2 ALA A 37 -8.888 -4.606 -8.037 1.00 62.51 H new ATOM 0 HB3 ALA A 37 -7.367 -3.847 -7.511 1.00 62.51 H new ATOM 604 N LEU A 38 -6.004 -2.057 -8.951 1.00 50.43 N ATOM 605 CA LEU A 38 -5.264 -0.797 -8.875 1.00 64.51 C ATOM 606 C LEU A 38 -4.554 -0.485 -10.188 1.00 45.42 C ATOM 607 O LEU A 38 -4.410 0.679 -10.568 1.00 55.42 O ATOM 608 CB LEU A 38 -4.249 -0.831 -7.723 1.00 33.34 C ATOM 609 CG LEU A 38 -4.832 -0.655 -6.311 1.00 10.42 C ATOM 610 CD1 LEU A 38 -5.693 -1.844 -5.914 1.00 54.32 C ATOM 611 CD2 LEU A 38 -3.717 -0.447 -5.297 1.00 12.12 C ATOM 0 H LEU A 38 -5.613 -2.812 -8.387 1.00 50.43 H new ATOM 0 HA LEU A 38 -5.988 -0.005 -8.685 1.00 64.51 H new ATOM 0 HB2 LEU A 38 -3.718 -1.782 -7.760 1.00 33.34 H new ATOM 0 HB3 LEU A 38 -3.511 -0.047 -7.891 1.00 33.34 H new ATOM 0 HG LEU A 38 -5.468 0.230 -6.322 1.00 10.42 H new ATOM 0 HD11 LEU A 38 -6.089 -1.687 -4.911 1.00 54.32 H new ATOM 0 HD12 LEU A 38 -6.518 -1.947 -6.618 1.00 54.32 H new ATOM 0 HD13 LEU A 38 -5.089 -2.751 -5.928 1.00 54.32 H new ATOM 0 HD21 LEU A 38 -4.147 -0.324 -4.303 1.00 12.12 H new ATOM 0 HD22 LEU A 38 -3.055 -1.313 -5.301 1.00 12.12 H new ATOM 0 HD23 LEU A 38 -3.149 0.445 -5.559 1.00 12.12 H new ATOM 623 N THR A 39 -4.123 -1.529 -10.877 1.00 43.24 N ATOM 624 CA THR A 39 -3.409 -1.379 -12.133 1.00 71.01 C ATOM 625 C THR A 39 -4.317 -0.825 -13.224 1.00 60.30 C ATOM 626 O THR A 39 -3.912 0.068 -13.974 1.00 11.02 O ATOM 627 CB THR A 39 -2.811 -2.723 -12.598 1.00 1.42 C ATOM 628 OG1 THR A 39 -1.870 -3.216 -11.634 1.00 60.34 O ATOM 629 CG2 THR A 39 -2.139 -2.595 -13.947 1.00 24.32 C ATOM 0 H THR A 39 -4.257 -2.497 -10.584 1.00 43.24 H new ATOM 0 HA THR A 39 -2.599 -0.672 -11.956 1.00 71.01 H new ATOM 0 HB THR A 39 -3.635 -3.431 -12.692 1.00 1.42 H new ATOM 0 HG1 THR A 39 -1.168 -2.547 -11.490 1.00 60.34 H new ATOM 0 HG21 THR A 39 -1.729 -3.561 -14.243 1.00 24.32 H new ATOM 0 HG22 THR A 39 -2.869 -2.268 -14.688 1.00 24.32 H new ATOM 0 HG23 THR A 39 -1.334 -1.863 -13.884 1.00 24.32 H new ATOM 637 N VAL A 40 -5.549 -1.334 -13.315 1.00 12.40 N ATOM 638 CA VAL A 40 -6.445 -0.887 -14.371 1.00 41.02 C ATOM 639 C VAL A 40 -7.001 0.496 -14.059 1.00 13.43 C ATOM 640 O VAL A 40 -7.352 1.250 -14.970 1.00 70.22 O ATOM 641 CB VAL A 40 -7.602 -1.885 -14.624 1.00 73.30 C ATOM 642 CG1 VAL A 40 -8.729 -1.720 -13.608 1.00 11.22 C ATOM 643 CG2 VAL A 40 -8.131 -1.742 -16.046 1.00 35.21 C ATOM 0 H VAL A 40 -5.936 -2.037 -12.686 1.00 12.40 H new ATOM 0 HA VAL A 40 -5.853 -0.835 -15.285 1.00 41.02 H new ATOM 0 HB VAL A 40 -7.200 -2.891 -14.500 1.00 73.30 H new ATOM 0 HG11 VAL A 40 -9.520 -2.439 -13.822 1.00 11.22 H new ATOM 0 HG12 VAL A 40 -8.342 -1.894 -12.604 1.00 11.22 H new ATOM 0 HG13 VAL A 40 -9.131 -0.709 -13.672 1.00 11.22 H new ATOM 0 HG21 VAL A 40 -8.943 -2.451 -16.205 1.00 35.21 H new ATOM 0 HG22 VAL A 40 -8.500 -0.728 -16.197 1.00 35.21 H new ATOM 0 HG23 VAL A 40 -7.328 -1.945 -16.755 1.00 35.21 H new ATOM 653 N VAL A 41 -7.078 0.826 -12.770 1.00 4.34 N ATOM 654 CA VAL A 41 -7.461 2.168 -12.360 1.00 34.33 C ATOM 655 C VAL A 41 -6.484 3.176 -12.939 1.00 73.33 C ATOM 656 O VAL A 41 -6.843 3.960 -13.821 1.00 22.05 O ATOM 657 CB VAL A 41 -7.512 2.319 -10.823 1.00 34.12 C ATOM 658 CG1 VAL A 41 -7.732 3.771 -10.432 1.00 24.13 C ATOM 659 CG2 VAL A 41 -8.608 1.446 -10.239 1.00 24.34 C ATOM 0 H VAL A 41 -6.881 0.186 -12.001 1.00 4.34 H new ATOM 0 HA VAL A 41 -8.465 2.353 -12.741 1.00 34.33 H new ATOM 0 HB VAL A 41 -6.554 1.994 -10.418 1.00 34.12 H new ATOM 0 HG11 VAL A 41 -7.765 3.854 -9.346 1.00 24.13 H new ATOM 0 HG12 VAL A 41 -6.914 4.380 -10.818 1.00 24.13 H new ATOM 0 HG13 VAL A 41 -8.675 4.122 -10.851 1.00 24.13 H new ATOM 0 HG21 VAL A 41 -8.629 1.565 -9.156 1.00 24.34 H new ATOM 0 HG22 VAL A 41 -9.570 1.743 -10.656 1.00 24.34 H new ATOM 0 HG23 VAL A 41 -8.412 0.402 -10.486 1.00 24.34 H new ATOM 669 N ASP A 42 -5.248 3.127 -12.458 1.00 61.32 N ATOM 670 CA ASP A 42 -4.187 3.987 -12.961 1.00 3.54 C ATOM 671 C ASP A 42 -2.922 3.761 -12.155 1.00 53.23 C ATOM 672 O ASP A 42 -2.888 4.026 -10.952 1.00 35.33 O ATOM 673 CB ASP A 42 -4.580 5.462 -12.881 1.00 23.14 C ATOM 674 CG ASP A 42 -3.858 6.308 -13.909 1.00 33.20 C ATOM 675 OD1 ASP A 42 -3.057 5.752 -14.696 1.00 54.34 O ATOM 676 OD2 ASP A 42 -4.118 7.528 -13.967 1.00 50.12 O ATOM 0 H ASP A 42 -4.955 2.494 -11.713 1.00 61.32 H new ATOM 0 HA ASP A 42 -4.016 3.734 -14.007 1.00 3.54 H new ATOM 0 HB2 ASP A 42 -5.656 5.557 -13.027 1.00 23.14 H new ATOM 0 HB3 ASP A 42 -4.359 5.841 -11.883 1.00 23.14 H new ATOM 681 N GLN A 43 -1.897 3.251 -12.821 1.00 44.34 N ATOM 682 CA GLN A 43 -0.606 3.005 -12.186 1.00 41.34 C ATOM 683 C GLN A 43 0.377 2.464 -13.214 1.00 72.53 C ATOM 684 O GLN A 43 1.567 2.783 -13.201 1.00 32.22 O ATOM 685 CB GLN A 43 -0.743 2.013 -11.019 1.00 25.23 C ATOM 686 CG GLN A 43 -0.817 0.549 -11.430 1.00 44.13 C ATOM 687 CD GLN A 43 -0.753 -0.396 -10.249 1.00 14.21 C ATOM 688 OE1 GLN A 43 -0.241 -1.503 -10.353 1.00 31.02 O ATOM 689 NE2 GLN A 43 -1.294 0.025 -9.121 1.00 74.42 N ATOM 0 H GLN A 43 -1.933 2.997 -13.808 1.00 44.34 H new ATOM 0 HA GLN A 43 -0.234 3.949 -11.787 1.00 41.34 H new ATOM 0 HB2 GLN A 43 0.105 2.145 -10.347 1.00 25.23 H new ATOM 0 HB3 GLN A 43 -1.640 2.262 -10.452 1.00 25.23 H new ATOM 0 HG2 GLN A 43 -1.744 0.377 -11.978 1.00 44.13 H new ATOM 0 HG3 GLN A 43 0.003 0.326 -12.113 1.00 44.13 H new ATOM 0 HE21 GLN A 43 -1.712 0.954 -9.071 1.00 74.42 H new ATOM 0 HE22 GLN A 43 -1.294 -0.579 -8.299 1.00 74.42 H new ATOM 698 N ASP A 44 -0.148 1.639 -14.104 1.00 60.15 N ATOM 699 CA ASP A 44 0.650 0.981 -15.123 1.00 73.14 C ATOM 700 C ASP A 44 0.487 1.651 -16.496 1.00 0.13 C ATOM 701 O ASP A 44 1.486 1.988 -17.129 1.00 65.22 O ATOM 702 CB ASP A 44 0.288 -0.507 -15.185 1.00 51.51 C ATOM 703 CG ASP A 44 1.001 -1.242 -16.298 1.00 31.13 C ATOM 704 OD1 ASP A 44 2.209 -1.525 -16.156 1.00 23.44 O ATOM 705 OD2 ASP A 44 0.355 -1.548 -17.322 1.00 52.14 O ATOM 0 H ASP A 44 -1.141 1.407 -14.140 1.00 60.15 H new ATOM 0 HA ASP A 44 1.701 1.077 -14.849 1.00 73.14 H new ATOM 0 HB2 ASP A 44 0.534 -0.975 -14.232 1.00 51.51 H new ATOM 0 HB3 ASP A 44 -0.789 -0.608 -15.322 1.00 51.51 H new ATOM 710 N PRO A 45 -0.762 1.881 -16.980 1.00 33.25 N ATOM 711 CA PRO A 45 -0.986 2.534 -18.281 1.00 52.41 C ATOM 712 C PRO A 45 -0.843 4.055 -18.204 1.00 21.11 C ATOM 713 O PRO A 45 -1.572 4.795 -18.868 1.00 64.44 O ATOM 714 CB PRO A 45 -2.426 2.150 -18.623 1.00 10.43 C ATOM 715 CG PRO A 45 -3.107 2.018 -17.309 1.00 21.43 C ATOM 716 CD PRO A 45 -2.043 1.521 -16.330 1.00 21.25 C ATOM 0 HA PRO A 45 -0.255 2.219 -19.026 1.00 52.41 H new ATOM 0 HB2 PRO A 45 -2.902 2.912 -19.240 1.00 10.43 H new ATOM 0 HB3 PRO A 45 -2.464 1.216 -19.183 1.00 10.43 H new ATOM 0 HG2 PRO A 45 -3.519 2.974 -16.985 1.00 21.43 H new ATOM 0 HG3 PRO A 45 -3.939 1.317 -17.370 1.00 21.43 H new ATOM 0 HD2 PRO A 45 -2.144 1.998 -15.355 1.00 21.25 H new ATOM 0 HD3 PRO A 45 -2.120 0.446 -16.168 1.00 21.25 H new ATOM 724 N GLY A 46 0.114 4.508 -17.410 1.00 23.13 N ATOM 725 CA GLY A 46 0.340 5.926 -17.246 1.00 52.41 C ATOM 726 C GLY A 46 1.191 6.227 -16.032 1.00 71.23 C ATOM 727 O GLY A 46 1.419 5.350 -15.196 1.00 11.20 O ATOM 0 H GLY A 46 0.743 3.912 -16.872 1.00 23.13 H new ATOM 0 HA2 GLY A 46 0.827 6.321 -18.137 1.00 52.41 H new ATOM 0 HA3 GLY A 46 -0.618 6.438 -17.153 1.00 52.41 H new ATOM 731 N GLN A 47 1.667 7.459 -15.933 1.00 33.41 N ATOM 732 CA GLN A 47 2.505 7.865 -14.816 1.00 71.42 C ATOM 733 C GLN A 47 1.704 8.739 -13.856 1.00 75.15 C ATOM 734 O GLN A 47 1.668 9.964 -13.986 1.00 0.51 O ATOM 735 CB GLN A 47 3.740 8.605 -15.333 1.00 12.21 C ATOM 736 CG GLN A 47 4.854 8.751 -14.311 1.00 2.21 C ATOM 737 CD GLN A 47 6.086 9.409 -14.899 1.00 24.42 C ATOM 738 OE1 GLN A 47 6.358 9.288 -16.096 1.00 64.04 O ATOM 739 NE2 GLN A 47 6.847 10.100 -14.068 1.00 11.23 N ATOM 0 H GLN A 47 1.486 8.196 -16.615 1.00 33.41 H new ATOM 0 HA GLN A 47 2.839 6.981 -14.274 1.00 71.42 H new ATOM 0 HB2 GLN A 47 4.128 8.076 -16.203 1.00 12.21 H new ATOM 0 HB3 GLN A 47 3.440 9.597 -15.671 1.00 12.21 H new ATOM 0 HG2 GLN A 47 4.496 9.341 -13.468 1.00 2.21 H new ATOM 0 HG3 GLN A 47 5.119 7.768 -13.922 1.00 2.21 H new ATOM 0 HE21 GLN A 47 6.589 10.177 -13.084 1.00 11.23 H new ATOM 0 HE22 GLN A 47 7.693 10.556 -14.410 1.00 11.23 H new ATOM 748 N VAL A 48 1.043 8.091 -12.912 1.00 51.23 N ATOM 749 CA VAL A 48 0.133 8.767 -11.997 1.00 51.55 C ATOM 750 C VAL A 48 0.791 9.028 -10.639 1.00 62.01 C ATOM 751 O VAL A 48 1.674 8.283 -10.208 1.00 53.52 O ATOM 752 CB VAL A 48 -1.164 7.935 -11.825 1.00 2.02 C ATOM 753 CG1 VAL A 48 -0.837 6.518 -11.390 1.00 31.25 C ATOM 754 CG2 VAL A 48 -2.131 8.589 -10.846 1.00 14.21 C ATOM 0 H VAL A 48 1.120 7.086 -12.757 1.00 51.23 H new ATOM 0 HA VAL A 48 -0.121 9.735 -12.428 1.00 51.55 H new ATOM 0 HB VAL A 48 -1.659 7.897 -12.795 1.00 2.02 H new ATOM 0 HG11 VAL A 48 -1.760 5.950 -11.275 1.00 31.25 H new ATOM 0 HG12 VAL A 48 -0.210 6.042 -12.144 1.00 31.25 H new ATOM 0 HG13 VAL A 48 -0.305 6.543 -10.439 1.00 31.25 H new ATOM 0 HG21 VAL A 48 -3.027 7.975 -10.754 1.00 14.21 H new ATOM 0 HG22 VAL A 48 -1.653 8.683 -9.871 1.00 14.21 H new ATOM 0 HG23 VAL A 48 -2.406 9.578 -11.212 1.00 14.21 H new ATOM 764 N GLU A 49 0.372 10.112 -9.995 1.00 44.31 N ATOM 765 CA GLU A 49 0.867 10.490 -8.676 1.00 63.34 C ATOM 766 C GLU A 49 -0.080 9.974 -7.596 1.00 12.14 C ATOM 767 O GLU A 49 -1.232 10.414 -7.512 1.00 1.55 O ATOM 768 CB GLU A 49 0.973 12.015 -8.600 1.00 55.41 C ATOM 769 CG GLU A 49 1.521 12.546 -7.284 1.00 34.34 C ATOM 770 CD GLU A 49 1.598 14.061 -7.272 1.00 71.31 C ATOM 771 OE1 GLU A 49 2.469 14.618 -7.976 1.00 42.14 O ATOM 772 OE2 GLU A 49 0.791 14.698 -6.563 1.00 5.52 O ATOM 0 H GLU A 49 -0.323 10.755 -10.374 1.00 44.31 H new ATOM 0 HA GLU A 49 1.851 10.049 -8.514 1.00 63.34 H new ATOM 0 HB2 GLU A 49 1.612 12.363 -9.412 1.00 55.41 H new ATOM 0 HB3 GLU A 49 -0.015 12.444 -8.767 1.00 55.41 H new ATOM 0 HG2 GLU A 49 0.887 12.208 -6.464 1.00 34.34 H new ATOM 0 HG3 GLU A 49 2.514 12.131 -7.111 1.00 34.34 H new ATOM 779 N TRP A 50 0.394 9.050 -6.766 1.00 53.02 N ATOM 780 CA TRP A 50 -0.472 8.416 -5.788 1.00 2.33 C ATOM 781 C TRP A 50 0.321 7.664 -4.723 1.00 23.13 C ATOM 782 O TRP A 50 1.546 7.793 -4.626 1.00 1.12 O ATOM 783 CB TRP A 50 -1.460 7.467 -6.484 1.00 35.22 C ATOM 784 CG TRP A 50 -0.853 6.262 -7.134 1.00 34.24 C ATOM 785 CD1 TRP A 50 0.020 6.237 -8.181 1.00 22.34 C ATOM 786 CD2 TRP A 50 -1.111 4.895 -6.794 1.00 23.35 C ATOM 787 NE1 TRP A 50 0.337 4.939 -8.501 1.00 1.52 N ATOM 788 CE2 TRP A 50 -0.346 4.097 -7.667 1.00 22.15 C ATOM 789 CE3 TRP A 50 -1.906 4.269 -5.834 1.00 42.31 C ATOM 790 CZ2 TRP A 50 -0.356 2.707 -7.603 1.00 41.00 C ATOM 791 CZ3 TRP A 50 -1.916 2.890 -5.774 1.00 2.53 C ATOM 792 CH2 TRP A 50 -1.145 2.121 -6.654 1.00 12.24 C ATOM 0 H TRP A 50 1.362 8.729 -6.753 1.00 53.02 H new ATOM 0 HA TRP A 50 -1.028 9.207 -5.285 1.00 2.33 H new ATOM 0 HB2 TRP A 50 -2.192 7.131 -5.749 1.00 35.22 H new ATOM 0 HB3 TRP A 50 -2.004 8.031 -7.242 1.00 35.22 H new ATOM 0 HD1 TRP A 50 0.406 7.110 -8.685 1.00 22.34 H new ATOM 0 HE1 TRP A 50 0.978 4.650 -9.240 1.00 1.52 H new ATOM 0 HE3 TRP A 50 -2.503 4.853 -5.150 1.00 42.31 H new ATOM 0 HZ2 TRP A 50 0.239 2.112 -8.280 1.00 41.00 H new ATOM 0 HZ3 TRP A 50 -2.529 2.396 -5.035 1.00 2.53 H new ATOM 0 HH2 TRP A 50 -1.175 1.044 -6.581 1.00 12.24 H new ATOM 803 N PHE A 51 -0.395 6.906 -3.898 1.00 61.12 N ATOM 804 CA PHE A 51 0.225 6.071 -2.888 1.00 65.21 C ATOM 805 C PHE A 51 -0.809 5.208 -2.190 1.00 43.31 C ATOM 806 O PHE A 51 -2.010 5.367 -2.408 1.00 53.12 O ATOM 807 CB PHE A 51 0.976 6.927 -1.866 1.00 55.22 C ATOM 808 CG PHE A 51 0.125 7.829 -1.012 1.00 33.55 C ATOM 809 CD1 PHE A 51 -0.293 9.067 -1.478 1.00 62.52 C ATOM 810 CD2 PHE A 51 -0.217 7.452 0.276 1.00 4.55 C ATOM 811 CE1 PHE A 51 -1.038 9.908 -0.674 1.00 70.32 C ATOM 812 CE2 PHE A 51 -0.964 8.287 1.081 1.00 22.30 C ATOM 813 CZ PHE A 51 -1.373 9.518 0.609 1.00 23.41 C ATOM 0 H PHE A 51 -1.414 6.857 -3.914 1.00 61.12 H new ATOM 0 HA PHE A 51 0.940 5.416 -3.387 1.00 65.21 H new ATOM 0 HB2 PHE A 51 1.540 6.264 -1.210 1.00 55.22 H new ATOM 0 HB3 PHE A 51 1.702 7.542 -2.399 1.00 55.22 H new ATOM 0 HD1 PHE A 51 -0.033 9.377 -2.480 1.00 62.52 H new ATOM 0 HD2 PHE A 51 0.105 6.493 0.655 1.00 4.55 H new ATOM 0 HE1 PHE A 51 -1.358 10.869 -1.048 1.00 70.32 H new ATOM 0 HE2 PHE A 51 -1.229 7.977 2.081 1.00 22.30 H new ATOM 0 HZ PHE A 51 -1.953 10.175 1.240 1.00 23.41 H new ATOM 823 N VAL A 52 -0.339 4.285 -1.372 1.00 13.21 N ATOM 824 CA VAL A 52 -1.224 3.478 -0.549 1.00 23.23 C ATOM 825 C VAL A 52 -0.792 3.568 0.903 1.00 50.42 C ATOM 826 O VAL A 52 0.395 3.740 1.200 1.00 72.21 O ATOM 827 CB VAL A 52 -1.265 1.994 -0.987 1.00 71.51 C ATOM 828 CG1 VAL A 52 -1.683 1.868 -2.443 1.00 12.04 C ATOM 829 CG2 VAL A 52 0.072 1.312 -0.753 1.00 41.00 C ATOM 0 H VAL A 52 0.653 4.074 -1.259 1.00 13.21 H new ATOM 0 HA VAL A 52 -2.230 3.877 -0.674 1.00 23.23 H new ATOM 0 HB VAL A 52 -2.011 1.490 -0.372 1.00 71.51 H new ATOM 0 HG11 VAL A 52 -1.704 0.816 -2.726 1.00 12.04 H new ATOM 0 HG12 VAL A 52 -2.675 2.299 -2.575 1.00 12.04 H new ATOM 0 HG13 VAL A 52 -0.970 2.399 -3.074 1.00 12.04 H new ATOM 0 HG21 VAL A 52 0.010 0.271 -1.071 1.00 41.00 H new ATOM 0 HG22 VAL A 52 0.846 1.821 -1.327 1.00 41.00 H new ATOM 0 HG23 VAL A 52 0.321 1.353 0.307 1.00 41.00 H new ATOM 839 N LEU A 53 -1.748 3.470 1.805 1.00 44.31 N ATOM 840 CA LEU A 53 -1.450 3.549 3.222 1.00 32.54 C ATOM 841 C LEU A 53 -2.114 2.404 3.969 1.00 31.01 C ATOM 842 O LEU A 53 -2.906 1.650 3.403 1.00 44.32 O ATOM 843 CB LEU A 53 -1.894 4.898 3.811 1.00 14.22 C ATOM 844 CG LEU A 53 -3.384 5.038 4.146 1.00 41.25 C ATOM 845 CD1 LEU A 53 -3.634 6.324 4.918 1.00 62.42 C ATOM 846 CD2 LEU A 53 -4.230 5.014 2.886 1.00 11.51 C ATOM 0 H LEU A 53 -2.735 3.336 1.584 1.00 44.31 H new ATOM 0 HA LEU A 53 -0.370 3.468 3.341 1.00 32.54 H new ATOM 0 HB2 LEU A 53 -1.321 5.079 4.720 1.00 14.22 H new ATOM 0 HB3 LEU A 53 -1.627 5.684 3.104 1.00 14.22 H new ATOM 0 HG LEU A 53 -3.671 4.190 4.767 1.00 41.25 H new ATOM 0 HD11 LEU A 53 -4.696 6.409 5.149 1.00 62.42 H new ATOM 0 HD12 LEU A 53 -3.061 6.309 5.845 1.00 62.42 H new ATOM 0 HD13 LEU A 53 -3.324 7.177 4.314 1.00 62.42 H new ATOM 0 HD21 LEU A 53 -5.282 5.115 3.152 1.00 11.51 H new ATOM 0 HD22 LEU A 53 -3.939 5.840 2.237 1.00 11.51 H new ATOM 0 HD23 LEU A 53 -4.077 4.070 2.363 1.00 11.51 H new ATOM 858 N ASN A 54 -1.761 2.272 5.233 1.00 45.11 N ATOM 859 CA ASN A 54 -2.318 1.239 6.098 1.00 21.30 C ATOM 860 C ASN A 54 -3.790 1.475 6.416 1.00 41.43 C ATOM 861 O ASN A 54 -4.412 2.436 5.955 1.00 11.51 O ATOM 862 CB ASN A 54 -1.561 1.196 7.426 1.00 51.32 C ATOM 863 CG ASN A 54 -1.778 2.457 8.252 1.00 53.40 C ATOM 864 OD1 ASN A 54 -2.771 2.591 8.964 1.00 25.44 O ATOM 865 ND2 ASN A 54 -0.841 3.381 8.184 1.00 4.43 N ATOM 0 H ASN A 54 -1.080 2.876 5.693 1.00 45.11 H new ATOM 0 HA ASN A 54 -2.218 0.300 5.554 1.00 21.30 H new ATOM 0 HB2 ASN A 54 -1.885 0.328 7.999 1.00 51.32 H new ATOM 0 HB3 ASN A 54 -0.496 1.070 7.231 1.00 51.32 H new ATOM 0 HD21 ASN A 54 -0.928 4.237 8.732 1.00 4.43 H new ATOM 0 HD22 ASN A 54 -0.029 3.240 7.584 1.00 4.43 H new ATOM 872 N ALA A 55 -4.317 0.568 7.215 1.00 20.04 N ATOM 873 CA ALA A 55 -5.588 0.732 7.878 1.00 22.13 C ATOM 874 C ALA A 55 -5.357 0.471 9.362 1.00 30.53 C ATOM 875 O ALA A 55 -4.435 -0.262 9.720 1.00 73.34 O ATOM 876 CB ALA A 55 -6.623 -0.217 7.298 1.00 2.53 C ATOM 0 H ALA A 55 -3.861 -0.320 7.423 1.00 20.04 H new ATOM 0 HA ALA A 55 -5.977 1.740 7.731 1.00 22.13 H new ATOM 0 HB1 ALA A 55 -7.574 -0.077 7.812 1.00 2.53 H new ATOM 0 HB2 ALA A 55 -6.751 -0.010 6.235 1.00 2.53 H new ATOM 0 HB3 ALA A 55 -6.288 -1.246 7.430 1.00 2.53 H new ATOM 882 N GLU A 56 -6.164 1.057 10.225 1.00 63.23 N ATOM 883 CA GLU A 56 -5.857 1.048 11.650 1.00 34.23 C ATOM 884 C GLU A 56 -5.968 -0.356 12.257 1.00 15.03 C ATOM 885 O GLU A 56 -5.356 -0.642 13.289 1.00 14.22 O ATOM 886 CB GLU A 56 -6.758 2.034 12.392 1.00 40.22 C ATOM 887 CG GLU A 56 -6.394 2.219 13.855 1.00 24.32 C ATOM 888 CD GLU A 56 -7.110 3.394 14.481 1.00 1.11 C ATOM 889 OE1 GLU A 56 -8.324 3.284 14.749 1.00 24.34 O ATOM 890 OE2 GLU A 56 -6.458 4.437 14.702 1.00 22.10 O ATOM 0 H GLU A 56 -7.027 1.540 9.974 1.00 63.23 H new ATOM 0 HA GLU A 56 -4.819 1.362 11.764 1.00 34.23 H new ATOM 0 HB2 GLU A 56 -6.712 3.001 11.891 1.00 40.22 H new ATOM 0 HB3 GLU A 56 -7.790 1.689 12.325 1.00 40.22 H new ATOM 0 HG2 GLU A 56 -6.640 1.311 14.406 1.00 24.32 H new ATOM 0 HG3 GLU A 56 -5.317 2.364 13.944 1.00 24.32 H new ATOM 897 N SER A 57 -6.711 -1.239 11.610 1.00 63.31 N ATOM 898 CA SER A 57 -6.920 -2.572 12.146 1.00 64.50 C ATOM 899 C SER A 57 -6.440 -3.649 11.168 1.00 52.43 C ATOM 900 O SER A 57 -6.845 -4.809 11.273 1.00 42.51 O ATOM 901 CB SER A 57 -8.404 -2.773 12.466 1.00 2.13 C ATOM 902 OG SER A 57 -8.934 -1.652 13.162 1.00 43.30 O ATOM 0 H SER A 57 -7.176 -1.058 10.720 1.00 63.31 H new ATOM 0 HA SER A 57 -6.334 -2.668 13.060 1.00 64.50 H new ATOM 0 HB2 SER A 57 -8.961 -2.928 11.542 1.00 2.13 H new ATOM 0 HB3 SER A 57 -8.531 -3.672 13.069 1.00 2.13 H new ATOM 0 HG SER A 57 -9.883 -1.804 13.353 1.00 43.30 H new ATOM 908 N ASN A 58 -5.537 -3.283 10.248 1.00 11.41 N ATOM 909 CA ASN A 58 -5.049 -4.234 9.237 1.00 74.31 C ATOM 910 C ASN A 58 -4.076 -5.256 9.828 1.00 23.02 C ATOM 911 O ASN A 58 -3.327 -5.909 9.107 1.00 50.02 O ATOM 912 CB ASN A 58 -4.406 -3.523 8.029 1.00 23.12 C ATOM 913 CG ASN A 58 -3.217 -2.612 8.339 1.00 63.24 C ATOM 914 OD1 ASN A 58 -2.926 -1.707 7.562 1.00 42.33 O ATOM 915 ND2 ASN A 58 -2.518 -2.826 9.442 1.00 73.20 N ATOM 0 H ASN A 58 -5.133 -2.349 10.182 1.00 11.41 H new ATOM 0 HA ASN A 58 -5.929 -4.770 8.883 1.00 74.31 H new ATOM 0 HB2 ASN A 58 -4.080 -4.282 7.318 1.00 23.12 H new ATOM 0 HB3 ASN A 58 -5.173 -2.929 7.532 1.00 23.12 H new ATOM 0 HD21 ASN A 58 -1.718 -2.233 9.662 1.00 73.20 H new ATOM 0 HD22 ASN A 58 -2.779 -3.584 10.072 1.00 73.20 H new ATOM 922 N VAL A 59 -4.112 -5.399 11.135 1.00 20.33 N ATOM 923 CA VAL A 59 -3.255 -6.343 11.827 1.00 5.42 C ATOM 924 C VAL A 59 -3.856 -7.743 11.787 1.00 55.23 C ATOM 925 O VAL A 59 -3.146 -8.734 11.626 1.00 52.31 O ATOM 926 CB VAL A 59 -3.079 -5.936 13.297 1.00 60.13 C ATOM 927 CG1 VAL A 59 -2.024 -6.786 13.986 1.00 53.32 C ATOM 928 CG2 VAL A 59 -2.726 -4.463 13.412 1.00 45.23 C ATOM 0 H VAL A 59 -4.732 -4.868 11.747 1.00 20.33 H new ATOM 0 HA VAL A 59 -2.289 -6.340 11.323 1.00 5.42 H new ATOM 0 HB VAL A 59 -4.031 -6.106 13.799 1.00 60.13 H new ATOM 0 HG11 VAL A 59 -1.925 -6.471 15.025 1.00 53.32 H new ATOM 0 HG12 VAL A 59 -2.321 -7.834 13.951 1.00 53.32 H new ATOM 0 HG13 VAL A 59 -1.068 -6.663 13.477 1.00 53.32 H new ATOM 0 HG21 VAL A 59 -2.606 -4.198 14.463 1.00 45.23 H new ATOM 0 HG22 VAL A 59 -1.794 -4.270 12.881 1.00 45.23 H new ATOM 0 HG23 VAL A 59 -3.524 -3.862 12.975 1.00 45.23 H new ATOM 938 N GLU A 60 -5.179 -7.813 11.888 1.00 53.10 N ATOM 939 CA GLU A 60 -5.866 -9.085 12.040 1.00 70.41 C ATOM 940 C GLU A 60 -6.244 -9.622 10.675 1.00 41.45 C ATOM 941 O GLU A 60 -6.916 -10.646 10.554 1.00 44.22 O ATOM 942 CB GLU A 60 -7.140 -8.884 12.861 1.00 73.33 C ATOM 943 CG GLU A 60 -6.936 -8.103 14.150 1.00 21.15 C ATOM 944 CD GLU A 60 -6.055 -8.826 15.140 1.00 63.53 C ATOM 945 OE1 GLU A 60 -6.484 -9.877 15.659 1.00 63.33 O ATOM 946 OE2 GLU A 60 -4.936 -8.345 15.407 1.00 1.12 O ATOM 0 H GLU A 60 -5.796 -7.001 11.867 1.00 53.10 H new ATOM 0 HA GLU A 60 -5.206 -9.790 12.547 1.00 70.41 H new ATOM 0 HB2 GLU A 60 -7.876 -8.364 12.247 1.00 73.33 H new ATOM 0 HB3 GLU A 60 -7.560 -9.860 13.104 1.00 73.33 H new ATOM 0 HG2 GLU A 60 -6.493 -7.135 13.916 1.00 21.15 H new ATOM 0 HG3 GLU A 60 -7.906 -7.908 14.608 1.00 21.15 H new ATOM 953 N VAL A 61 -5.795 -8.921 9.654 1.00 61.14 N ATOM 954 CA VAL A 61 -6.346 -9.088 8.327 1.00 13.41 C ATOM 955 C VAL A 61 -5.348 -9.703 7.357 1.00 22.32 C ATOM 956 O VAL A 61 -5.723 -10.445 6.444 1.00 2.10 O ATOM 957 CB VAL A 61 -6.820 -7.719 7.784 1.00 42.45 C ATOM 958 CG1 VAL A 61 -7.467 -6.904 8.893 1.00 71.41 C ATOM 959 CG2 VAL A 61 -5.684 -6.936 7.143 1.00 51.32 C ATOM 0 H VAL A 61 -5.048 -8.229 9.719 1.00 61.14 H new ATOM 0 HA VAL A 61 -7.188 -9.775 8.409 1.00 13.41 H new ATOM 0 HB VAL A 61 -7.560 -7.914 7.008 1.00 42.45 H new ATOM 0 HG11 VAL A 61 -7.795 -5.944 8.495 1.00 71.41 H new ATOM 0 HG12 VAL A 61 -8.326 -7.446 9.289 1.00 71.41 H new ATOM 0 HG13 VAL A 61 -6.744 -6.738 9.692 1.00 71.41 H new ATOM 0 HG21 VAL A 61 -6.062 -5.982 6.776 1.00 51.32 H new ATOM 0 HG22 VAL A 61 -4.903 -6.757 7.882 1.00 51.32 H new ATOM 0 HG23 VAL A 61 -5.272 -7.508 6.311 1.00 51.32 H new ATOM 969 N ASP A 62 -4.080 -9.430 7.579 1.00 2.42 N ATOM 970 CA ASP A 62 -3.081 -9.643 6.556 1.00 42.15 C ATOM 971 C ASP A 62 -2.074 -10.699 6.981 1.00 4.40 C ATOM 972 O ASP A 62 -1.563 -10.673 8.102 1.00 42.13 O ATOM 973 CB ASP A 62 -2.400 -8.303 6.265 1.00 43.52 C ATOM 974 CG ASP A 62 -1.398 -8.351 5.120 1.00 30.30 C ATOM 975 OD1 ASP A 62 -1.153 -9.446 4.567 1.00 13.14 O ATOM 976 OD2 ASP A 62 -0.862 -7.279 4.756 1.00 43.13 O ATOM 0 H ASP A 62 -3.718 -9.061 8.458 1.00 2.42 H new ATOM 0 HA ASP A 62 -3.555 -10.016 5.648 1.00 42.15 H new ATOM 0 HB2 ASP A 62 -3.165 -7.562 6.034 1.00 43.52 H new ATOM 0 HB3 ASP A 62 -1.890 -7.964 7.166 1.00 43.52 H new ATOM 981 N LEU A 63 -1.818 -11.644 6.085 1.00 4.30 N ATOM 982 CA LEU A 63 -0.883 -12.727 6.352 1.00 22.11 C ATOM 983 C LEU A 63 0.220 -12.757 5.297 1.00 64.02 C ATOM 984 O LEU A 63 1.403 -12.834 5.625 1.00 14.45 O ATOM 985 CB LEU A 63 -1.603 -14.085 6.388 1.00 13.50 C ATOM 986 CG LEU A 63 -2.393 -14.405 7.668 1.00 75.31 C ATOM 987 CD1 LEU A 63 -3.611 -13.505 7.813 1.00 62.54 C ATOM 988 CD2 LEU A 63 -2.816 -15.865 7.675 1.00 25.24 C ATOM 0 H LEU A 63 -2.249 -11.681 5.161 1.00 4.30 H new ATOM 0 HA LEU A 63 -0.437 -12.545 7.330 1.00 22.11 H new ATOM 0 HB2 LEU A 63 -2.289 -14.131 5.542 1.00 13.50 H new ATOM 0 HB3 LEU A 63 -0.861 -14.869 6.239 1.00 13.50 H new ATOM 0 HG LEU A 63 -1.737 -14.218 8.518 1.00 75.31 H new ATOM 0 HD11 LEU A 63 -4.145 -13.760 8.729 1.00 62.54 H new ATOM 0 HD12 LEU A 63 -3.291 -12.464 7.857 1.00 62.54 H new ATOM 0 HD13 LEU A 63 -4.271 -13.645 6.957 1.00 62.54 H new ATOM 0 HD21 LEU A 63 -3.374 -16.078 8.587 1.00 25.24 H new ATOM 0 HD22 LEU A 63 -3.446 -16.065 6.809 1.00 25.24 H new ATOM 0 HD23 LEU A 63 -1.931 -16.500 7.635 1.00 25.24 H new ATOM 1000 N THR A 64 -0.173 -12.696 4.028 1.00 22.34 N ATOM 1001 CA THR A 64 0.784 -12.746 2.929 1.00 44.41 C ATOM 1002 C THR A 64 0.437 -11.689 1.875 1.00 1.33 C ATOM 1003 O THR A 64 1.047 -11.616 0.796 1.00 11.11 O ATOM 1004 CB THR A 64 0.796 -14.149 2.284 1.00 0.22 C ATOM 1005 OG1 THR A 64 0.721 -15.155 3.308 1.00 51.25 O ATOM 1006 CG2 THR A 64 2.058 -14.373 1.463 1.00 42.10 C ATOM 0 H THR A 64 -1.147 -12.612 3.736 1.00 22.34 H new ATOM 0 HA THR A 64 1.777 -12.537 3.328 1.00 44.41 H new ATOM 0 HB THR A 64 -0.067 -14.218 1.621 1.00 0.22 H new ATOM 0 HG1 THR A 64 -0.098 -15.680 3.191 1.00 51.25 H new ATOM 0 HG21 THR A 64 2.034 -15.370 1.023 1.00 42.10 H new ATOM 0 HG22 THR A 64 2.113 -13.628 0.670 1.00 42.10 H new ATOM 0 HG23 THR A 64 2.932 -14.282 2.108 1.00 42.10 H new ATOM 1014 N ALA A 65 -0.534 -10.847 2.205 1.00 45.25 N ATOM 1015 CA ALA A 65 -0.967 -9.812 1.289 1.00 75.42 C ATOM 1016 C ALA A 65 0.142 -8.796 1.104 1.00 65.25 C ATOM 1017 O ALA A 65 0.334 -8.287 0.004 1.00 30.43 O ATOM 1018 CB ALA A 65 -2.246 -9.142 1.770 1.00 62.13 C ATOM 0 H ALA A 65 -1.031 -10.864 3.096 1.00 45.25 H new ATOM 0 HA ALA A 65 -1.189 -10.273 0.327 1.00 75.42 H new ATOM 0 HB1 ALA A 65 -2.542 -8.371 1.059 1.00 62.13 H new ATOM 0 HB2 ALA A 65 -3.039 -9.886 1.850 1.00 62.13 H new ATOM 0 HB3 ALA A 65 -2.074 -8.689 2.746 1.00 62.13 H new ATOM 1024 N LEU A 66 0.887 -8.523 2.176 1.00 4.11 N ATOM 1025 CA LEU A 66 2.053 -7.648 2.081 1.00 64.53 C ATOM 1026 C LEU A 66 3.090 -8.214 1.129 1.00 11.11 C ATOM 1027 O LEU A 66 3.819 -7.468 0.495 1.00 4.32 O ATOM 1028 CB LEU A 66 2.703 -7.317 3.453 1.00 32.51 C ATOM 1029 CG LEU A 66 3.252 -8.460 4.355 1.00 64.24 C ATOM 1030 CD1 LEU A 66 2.156 -9.415 4.802 1.00 64.20 C ATOM 1031 CD2 LEU A 66 4.385 -9.230 3.689 1.00 2.33 C ATOM 0 H LEU A 66 0.706 -8.891 3.110 1.00 4.11 H new ATOM 0 HA LEU A 66 1.676 -6.706 1.683 1.00 64.53 H new ATOM 0 HB2 LEU A 66 3.528 -6.631 3.263 1.00 32.51 H new ATOM 0 HB3 LEU A 66 1.963 -6.771 4.038 1.00 32.51 H new ATOM 0 HG LEU A 66 3.656 -7.971 5.241 1.00 64.24 H new ATOM 0 HD11 LEU A 66 2.587 -10.196 5.429 1.00 64.20 H new ATOM 0 HD12 LEU A 66 1.405 -8.866 5.370 1.00 64.20 H new ATOM 0 HD13 LEU A 66 1.690 -9.868 3.927 1.00 64.20 H new ATOM 0 HD21 LEU A 66 4.733 -10.016 4.359 1.00 2.33 H new ATOM 0 HD22 LEU A 66 4.026 -9.676 2.761 1.00 2.33 H new ATOM 0 HD23 LEU A 66 5.208 -8.549 3.470 1.00 2.33 H new ATOM 1043 N ASP A 67 3.146 -9.533 1.018 1.00 44.05 N ATOM 1044 CA ASP A 67 4.140 -10.163 0.167 1.00 62.04 C ATOM 1045 C ASP A 67 3.840 -9.831 -1.279 1.00 72.43 C ATOM 1046 O ASP A 67 4.674 -9.255 -1.985 1.00 75.20 O ATOM 1047 CB ASP A 67 4.166 -11.676 0.386 1.00 4.31 C ATOM 1048 CG ASP A 67 5.179 -12.382 -0.496 1.00 65.04 C ATOM 1049 OD1 ASP A 67 6.397 -12.226 -0.259 1.00 21.24 O ATOM 1050 OD2 ASP A 67 4.761 -13.108 -1.424 1.00 74.21 O ATOM 0 H ASP A 67 2.522 -10.180 1.501 1.00 44.05 H new ATOM 0 HA ASP A 67 5.127 -9.779 0.425 1.00 62.04 H new ATOM 0 HB2 ASP A 67 4.395 -11.883 1.431 1.00 4.31 H new ATOM 0 HB3 ASP A 67 3.174 -12.084 0.190 1.00 4.31 H new ATOM 1055 N ALA A 68 2.628 -10.153 -1.703 1.00 13.24 N ATOM 1056 CA ALA A 68 2.197 -9.844 -3.060 1.00 21.33 C ATOM 1057 C ALA A 68 2.180 -8.333 -3.291 1.00 2.20 C ATOM 1058 O ALA A 68 2.681 -7.836 -4.305 1.00 15.54 O ATOM 1059 CB ALA A 68 0.824 -10.443 -3.330 1.00 35.02 C ATOM 0 H ALA A 68 1.928 -10.626 -1.132 1.00 13.24 H new ATOM 0 HA ALA A 68 2.910 -10.286 -3.756 1.00 21.33 H new ATOM 0 HB1 ALA A 68 0.516 -10.203 -4.348 1.00 35.02 H new ATOM 0 HB2 ALA A 68 0.869 -11.525 -3.210 1.00 35.02 H new ATOM 0 HB3 ALA A 68 0.102 -10.030 -2.626 1.00 35.02 H new ATOM 1065 N LEU A 69 1.630 -7.606 -2.322 1.00 0.14 N ATOM 1066 CA LEU A 69 1.465 -6.163 -2.438 1.00 22.01 C ATOM 1067 C LEU A 69 2.818 -5.466 -2.530 1.00 3.13 C ATOM 1068 O LEU A 69 3.024 -4.630 -3.410 1.00 42.12 O ATOM 1069 CB LEU A 69 0.659 -5.621 -1.246 1.00 64.41 C ATOM 1070 CG LEU A 69 -0.105 -4.308 -1.473 1.00 23.30 C ATOM 1071 CD1 LEU A 69 -1.085 -4.073 -0.334 1.00 42.21 C ATOM 1072 CD2 LEU A 69 0.840 -3.122 -1.591 1.00 32.32 C ATOM 0 H LEU A 69 1.290 -7.997 -1.444 1.00 0.14 H new ATOM 0 HA LEU A 69 0.915 -5.954 -3.356 1.00 22.01 H new ATOM 0 HB2 LEU A 69 -0.058 -6.385 -0.944 1.00 64.41 H new ATOM 0 HB3 LEU A 69 1.343 -5.477 -0.409 1.00 64.41 H new ATOM 0 HG LEU A 69 -0.649 -4.399 -2.413 1.00 23.30 H new ATOM 0 HD11 LEU A 69 -1.622 -3.140 -0.503 1.00 42.21 H new ATOM 0 HD12 LEU A 69 -1.796 -4.898 -0.289 1.00 42.21 H new ATOM 0 HD13 LEU A 69 -0.540 -4.012 0.608 1.00 42.21 H new ATOM 0 HD21 LEU A 69 0.263 -2.211 -1.751 1.00 32.32 H new ATOM 0 HD22 LEU A 69 1.421 -3.027 -0.674 1.00 32.32 H new ATOM 0 HD23 LEU A 69 1.515 -3.277 -2.433 1.00 32.32 H new ATOM 1084 N ASP A 70 3.746 -5.819 -1.638 1.00 62.40 N ATOM 1085 CA ASP A 70 5.024 -5.117 -1.573 1.00 41.04 C ATOM 1086 C ASP A 70 5.834 -5.348 -2.822 1.00 54.12 C ATOM 1087 O ASP A 70 6.494 -4.444 -3.289 1.00 64.24 O ATOM 1088 CB ASP A 70 5.875 -5.526 -0.382 1.00 12.14 C ATOM 1089 CG ASP A 70 6.774 -4.389 0.077 1.00 55.12 C ATOM 1090 OD1 ASP A 70 7.621 -3.935 -0.725 1.00 14.13 O ATOM 1091 OD2 ASP A 70 6.618 -3.919 1.224 1.00 33.25 O ATOM 0 H ASP A 70 3.638 -6.575 -0.962 1.00 62.40 H new ATOM 0 HA ASP A 70 4.765 -4.063 -1.468 1.00 41.04 H new ATOM 0 HB2 ASP A 70 5.229 -5.834 0.440 1.00 12.14 H new ATOM 0 HB3 ASP A 70 6.485 -6.389 -0.649 1.00 12.14 H new ATOM 1096 N GLN A 71 5.804 -6.557 -3.357 1.00 1.13 N ATOM 1097 CA GLN A 71 6.512 -6.819 -4.603 1.00 72.01 C ATOM 1098 C GLN A 71 5.977 -5.927 -5.708 1.00 4.21 C ATOM 1099 O GLN A 71 6.740 -5.393 -6.508 1.00 30.23 O ATOM 1100 CB GLN A 71 6.393 -8.280 -5.007 1.00 1.33 C ATOM 1101 CG GLN A 71 7.241 -9.206 -4.161 1.00 63.41 C ATOM 1102 CD GLN A 71 6.841 -10.644 -4.335 1.00 23.05 C ATOM 1103 OE1 GLN A 71 7.372 -11.364 -5.182 1.00 71.23 O ATOM 1104 NE2 GLN A 71 5.878 -11.061 -3.546 1.00 42.13 N ATOM 0 H GLN A 71 5.310 -7.357 -2.961 1.00 1.13 H new ATOM 0 HA GLN A 71 7.567 -6.597 -4.444 1.00 72.01 H new ATOM 0 HB2 GLN A 71 5.349 -8.586 -4.934 1.00 1.33 H new ATOM 0 HB3 GLN A 71 6.684 -8.386 -6.052 1.00 1.33 H new ATOM 0 HG2 GLN A 71 8.290 -9.085 -4.430 1.00 63.41 H new ATOM 0 HG3 GLN A 71 7.147 -8.927 -3.111 1.00 63.41 H new ATOM 0 HE21 GLN A 71 5.470 -10.426 -2.860 1.00 42.13 H new ATOM 0 HE22 GLN A 71 5.538 -12.020 -3.619 1.00 42.13 H new ATOM 1113 N LEU A 72 4.664 -5.752 -5.732 1.00 32.32 N ATOM 1114 CA LEU A 72 4.046 -4.891 -6.724 1.00 54.12 C ATOM 1115 C LEU A 72 4.435 -3.431 -6.511 1.00 0.22 C ATOM 1116 O LEU A 72 4.874 -2.764 -7.440 1.00 22.14 O ATOM 1117 CB LEU A 72 2.526 -5.058 -6.713 1.00 42.23 C ATOM 1118 CG LEU A 72 2.034 -6.444 -7.137 1.00 55.14 C ATOM 1119 CD1 LEU A 72 0.517 -6.482 -7.186 1.00 50.12 C ATOM 1120 CD2 LEU A 72 2.622 -6.830 -8.485 1.00 30.21 C ATOM 0 H LEU A 72 4.013 -6.191 -5.081 1.00 32.32 H new ATOM 0 HA LEU A 72 4.416 -5.192 -7.704 1.00 54.12 H new ATOM 0 HB2 LEU A 72 2.158 -4.848 -5.709 1.00 42.23 H new ATOM 0 HB3 LEU A 72 2.087 -4.313 -7.376 1.00 42.23 H new ATOM 0 HG LEU A 72 2.370 -7.168 -6.395 1.00 55.14 H new ATOM 0 HD11 LEU A 72 0.188 -7.476 -7.489 1.00 50.12 H new ATOM 0 HD12 LEU A 72 0.115 -6.252 -6.199 1.00 50.12 H new ATOM 0 HD13 LEU A 72 0.158 -5.745 -7.905 1.00 50.12 H new ATOM 0 HD21 LEU A 72 2.261 -7.818 -8.770 1.00 30.21 H new ATOM 0 HD22 LEU A 72 2.318 -6.102 -9.237 1.00 30.21 H new ATOM 0 HD23 LEU A 72 3.710 -6.847 -8.416 1.00 30.21 H new ATOM 1132 N ARG A 73 4.306 -2.931 -5.288 1.00 4.45 N ATOM 1133 CA ARG A 73 4.672 -1.541 -5.022 1.00 72.31 C ATOM 1134 C ARG A 73 6.184 -1.336 -5.141 1.00 43.33 C ATOM 1135 O ARG A 73 6.648 -0.324 -5.638 1.00 4.32 O ATOM 1136 CB ARG A 73 4.145 -1.059 -3.661 1.00 34.30 C ATOM 1137 CG ARG A 73 4.353 -2.024 -2.507 1.00 73.11 C ATOM 1138 CD ARG A 73 5.202 -1.413 -1.405 1.00 22.23 C ATOM 1139 NE ARG A 73 6.628 -1.505 -1.697 1.00 51.04 N ATOM 1140 CZ ARG A 73 7.410 -0.465 -1.975 1.00 71.01 C ATOM 1141 NH1 ARG A 73 6.909 0.764 -2.025 1.00 62.22 N ATOM 1142 NH2 ARG A 73 8.694 -0.655 -2.211 1.00 53.24 N ATOM 0 H ARG A 73 3.960 -3.450 -4.481 1.00 4.45 H new ATOM 0 HA ARG A 73 4.191 -0.928 -5.784 1.00 72.31 H new ATOM 0 HB2 ARG A 73 4.631 -0.114 -3.415 1.00 34.30 H new ATOM 0 HB3 ARG A 73 3.078 -0.854 -3.754 1.00 34.30 H new ATOM 0 HG2 ARG A 73 3.385 -2.317 -2.100 1.00 73.11 H new ATOM 0 HG3 ARG A 73 4.833 -2.931 -2.874 1.00 73.11 H new ATOM 0 HD2 ARG A 73 4.926 -0.367 -1.273 1.00 22.23 H new ATOM 0 HD3 ARG A 73 4.992 -1.919 -0.463 1.00 22.23 H new ATOM 0 HE ARG A 73 7.056 -2.431 -1.687 1.00 51.04 H new ATOM 0 HH11 ARG A 73 5.916 0.917 -1.849 1.00 62.22 H new ATOM 0 HH12 ARG A 73 7.517 1.554 -2.239 1.00 62.22 H new ATOM 0 HH21 ARG A 73 9.084 -1.597 -2.180 1.00 53.24 H new ATOM 0 HH22 ARG A 73 9.296 0.140 -2.424 1.00 53.24 H new ATOM 1156 N THR A 74 6.950 -2.307 -4.720 1.00 63.13 N ATOM 1157 CA THR A 74 8.389 -2.250 -4.876 1.00 0.41 C ATOM 1158 C THR A 74 8.750 -2.165 -6.356 1.00 4.12 C ATOM 1159 O THR A 74 9.195 -1.122 -6.842 1.00 71.13 O ATOM 1160 CB THR A 74 9.061 -3.482 -4.214 1.00 53.33 C ATOM 1161 OG1 THR A 74 9.156 -3.281 -2.794 1.00 1.33 O ATOM 1162 CG2 THR A 74 10.443 -3.761 -4.785 1.00 33.23 C ATOM 0 H THR A 74 6.605 -3.152 -4.264 1.00 63.13 H new ATOM 0 HA THR A 74 8.761 -1.356 -4.375 1.00 0.41 H new ATOM 0 HB THR A 74 8.436 -4.349 -4.429 1.00 53.33 H new ATOM 0 HG1 THR A 74 8.382 -3.690 -2.353 1.00 1.33 H new ATOM 0 HG21 THR A 74 10.872 -4.632 -4.290 1.00 33.23 H new ATOM 0 HG22 THR A 74 10.362 -3.955 -5.855 1.00 33.23 H new ATOM 0 HG23 THR A 74 11.086 -2.897 -4.620 1.00 33.23 H new ATOM 1170 N GLU A 75 8.461 -3.231 -7.075 1.00 61.34 N ATOM 1171 CA GLU A 75 8.963 -3.413 -8.419 1.00 52.20 C ATOM 1172 C GLU A 75 8.268 -2.485 -9.421 1.00 64.20 C ATOM 1173 O GLU A 75 8.883 -2.027 -10.385 1.00 22.00 O ATOM 1174 CB GLU A 75 8.790 -4.883 -8.802 1.00 45.41 C ATOM 1175 CG GLU A 75 9.602 -5.310 -10.014 1.00 13.50 C ATOM 1176 CD GLU A 75 11.080 -5.003 -9.859 1.00 12.53 C ATOM 1177 OE1 GLU A 75 11.635 -5.236 -8.764 1.00 21.33 O ATOM 1178 OE2 GLU A 75 11.694 -4.502 -10.822 1.00 2.04 O ATOM 0 H GLU A 75 7.872 -3.994 -6.743 1.00 61.34 H new ATOM 0 HA GLU A 75 10.020 -3.147 -8.448 1.00 52.20 H new ATOM 0 HB2 GLU A 75 9.073 -5.504 -7.952 1.00 45.41 H new ATOM 0 HB3 GLU A 75 7.735 -5.074 -9.000 1.00 45.41 H new ATOM 0 HG2 GLU A 75 9.471 -6.380 -10.177 1.00 13.50 H new ATOM 0 HG3 GLU A 75 9.220 -4.804 -10.900 1.00 13.50 H new ATOM 1185 N LEU A 76 6.999 -2.182 -9.176 1.00 42.32 N ATOM 1186 CA LEU A 76 6.219 -1.376 -10.113 1.00 71.13 C ATOM 1187 C LEU A 76 6.091 0.078 -9.643 1.00 31.51 C ATOM 1188 O LEU A 76 6.253 1.007 -10.436 1.00 72.12 O ATOM 1189 CB LEU A 76 4.817 -1.976 -10.320 1.00 64.11 C ATOM 1190 CG LEU A 76 4.751 -3.323 -11.064 1.00 15.44 C ATOM 1191 CD1 LEU A 76 5.327 -4.460 -10.228 1.00 70.40 C ATOM 1192 CD2 LEU A 76 3.316 -3.632 -11.452 1.00 0.41 C ATOM 0 H LEU A 76 6.489 -2.479 -8.344 1.00 42.32 H new ATOM 0 HA LEU A 76 6.756 -1.384 -11.061 1.00 71.13 H new ATOM 0 HB2 LEU A 76 4.352 -2.103 -9.342 1.00 64.11 H new ATOM 0 HB3 LEU A 76 4.214 -1.253 -10.869 1.00 64.11 H new ATOM 0 HG LEU A 76 5.359 -3.236 -11.964 1.00 15.44 H new ATOM 0 HD11 LEU A 76 5.262 -5.393 -10.788 1.00 70.40 H new ATOM 0 HD12 LEU A 76 6.371 -4.248 -9.996 1.00 70.40 H new ATOM 0 HD13 LEU A 76 4.761 -4.553 -9.301 1.00 70.40 H new ATOM 0 HD21 LEU A 76 3.279 -4.586 -11.978 1.00 0.41 H new ATOM 0 HD22 LEU A 76 2.700 -3.688 -10.554 1.00 0.41 H new ATOM 0 HD23 LEU A 76 2.937 -2.844 -12.103 1.00 0.41 H new ATOM 1204 N LEU A 77 5.816 0.275 -8.355 1.00 4.45 N ATOM 1205 CA LEU A 77 5.529 1.609 -7.822 1.00 30.04 C ATOM 1206 C LEU A 77 6.795 2.463 -7.720 1.00 75.30 C ATOM 1207 O LEU A 77 6.737 3.674 -7.926 1.00 73.34 O ATOM 1208 CB LEU A 77 4.776 1.488 -6.469 1.00 11.21 C ATOM 1209 CG LEU A 77 4.872 2.643 -5.458 1.00 35.30 C ATOM 1210 CD1 LEU A 77 3.772 2.489 -4.422 1.00 50.34 C ATOM 1211 CD2 LEU A 77 6.217 2.656 -4.740 1.00 3.01 C ATOM 0 H LEU A 77 5.785 -0.471 -7.660 1.00 4.45 H new ATOM 0 HA LEU A 77 4.875 2.132 -8.519 1.00 30.04 H new ATOM 0 HB2 LEU A 77 3.720 1.333 -6.692 1.00 11.21 H new ATOM 0 HB3 LEU A 77 5.133 0.586 -5.973 1.00 11.21 H new ATOM 0 HG LEU A 77 4.766 3.578 -6.007 1.00 35.30 H new ATOM 0 HD11 LEU A 77 3.834 3.305 -3.702 1.00 50.34 H new ATOM 0 HD12 LEU A 77 2.801 2.514 -4.916 1.00 50.34 H new ATOM 0 HD13 LEU A 77 3.891 1.537 -3.904 1.00 50.34 H new ATOM 0 HD21 LEU A 77 6.245 3.487 -4.035 1.00 3.01 H new ATOM 0 HD22 LEU A 77 6.351 1.718 -4.201 1.00 3.01 H new ATOM 0 HD23 LEU A 77 7.018 2.773 -5.470 1.00 3.01 H new ATOM 1223 N ARG A 78 7.950 1.845 -7.449 1.00 74.42 N ATOM 1224 CA ARG A 78 9.182 2.622 -7.279 1.00 30.31 C ATOM 1225 C ARG A 78 9.603 3.296 -8.593 1.00 74.34 C ATOM 1226 O ARG A 78 10.546 4.088 -8.621 1.00 32.04 O ATOM 1227 CB ARG A 78 10.324 1.738 -6.756 1.00 35.13 C ATOM 1228 CG ARG A 78 11.074 1.001 -7.856 1.00 70.20 C ATOM 1229 CD ARG A 78 12.101 0.037 -7.291 1.00 54.24 C ATOM 1230 NE ARG A 78 12.941 -0.535 -8.341 1.00 0.43 N ATOM 1231 CZ ARG A 78 12.972 -1.831 -8.651 1.00 43.21 C ATOM 1232 NH1 ARG A 78 12.199 -2.696 -8.002 1.00 63.04 N ATOM 1233 NH2 ARG A 78 13.772 -2.251 -9.622 1.00 43.23 N ATOM 0 H ARG A 78 8.058 0.836 -7.345 1.00 74.42 H new ATOM 0 HA ARG A 78 8.975 3.399 -6.543 1.00 30.31 H new ATOM 0 HB2 ARG A 78 11.027 2.358 -6.200 1.00 35.13 H new ATOM 0 HB3 ARG A 78 9.917 1.010 -6.054 1.00 35.13 H new ATOM 0 HG2 ARG A 78 10.364 0.453 -8.476 1.00 70.20 H new ATOM 0 HG3 ARG A 78 11.571 1.723 -8.503 1.00 70.20 H new ATOM 0 HD2 ARG A 78 12.728 0.557 -6.566 1.00 54.24 H new ATOM 0 HD3 ARG A 78 11.592 -0.764 -6.755 1.00 54.24 H new ATOM 0 HE ARG A 78 13.541 0.097 -8.870 1.00 0.43 H new ATOM 0 HH11 ARG A 78 11.578 -2.369 -7.262 1.00 63.04 H new ATOM 0 HH12 ARG A 78 12.227 -3.686 -8.244 1.00 63.04 H new ATOM 0 HH21 ARG A 78 14.357 -1.584 -10.125 1.00 43.23 H new ATOM 0 HH22 ARG A 78 13.802 -3.241 -9.866 1.00 43.23 H new ATOM 1247 N ARG A 79 8.895 2.991 -9.679 1.00 34.32 N ATOM 1248 CA ARG A 79 9.241 3.517 -10.995 1.00 11.14 C ATOM 1249 C ARG A 79 8.418 4.759 -11.335 1.00 14.50 C ATOM 1250 O ARG A 79 8.390 5.195 -12.486 1.00 61.44 O ATOM 1251 CB ARG A 79 9.019 2.457 -12.077 1.00 31.12 C ATOM 1252 CG ARG A 79 9.690 1.124 -11.789 1.00 74.10 C ATOM 1253 CD ARG A 79 9.814 0.275 -13.046 1.00 73.52 C ATOM 1254 NE ARG A 79 8.523 0.005 -13.686 1.00 71.10 N ATOM 1255 CZ ARG A 79 8.257 0.276 -14.970 1.00 24.53 C ATOM 1256 NH1 ARG A 79 9.174 0.868 -15.732 1.00 71.12 N ATOM 1257 NH2 ARG A 79 7.072 -0.035 -15.487 1.00 21.44 N ATOM 0 H ARG A 79 8.077 2.381 -9.672 1.00 34.32 H new ATOM 0 HA ARG A 79 10.295 3.792 -10.964 1.00 11.14 H new ATOM 0 HB2 ARG A 79 7.948 2.294 -12.196 1.00 31.12 H new ATOM 0 HB3 ARG A 79 9.390 2.840 -13.027 1.00 31.12 H new ATOM 0 HG2 ARG A 79 10.680 1.298 -11.368 1.00 74.10 H new ATOM 0 HG3 ARG A 79 9.115 0.582 -11.038 1.00 74.10 H new ATOM 0 HD2 ARG A 79 10.466 0.782 -13.757 1.00 73.52 H new ATOM 0 HD3 ARG A 79 10.292 -0.671 -12.793 1.00 73.52 H new ATOM 0 HE ARG A 79 7.785 -0.414 -13.120 1.00 71.10 H new ATOM 0 HH11 ARG A 79 10.082 1.116 -15.338 1.00 71.12 H new ATOM 0 HH12 ARG A 79 8.969 1.073 -16.710 1.00 71.12 H new ATOM 0 HH21 ARG A 79 6.363 -0.481 -14.905 1.00 21.44 H new ATOM 0 HH22 ARG A 79 6.872 0.173 -16.465 1.00 21.44 H new ATOM 1271 N GLY A 80 7.737 5.321 -10.346 1.00 70.44 N ATOM 1272 CA GLY A 80 6.939 6.507 -10.588 1.00 70.24 C ATOM 1273 C GLY A 80 6.810 7.379 -9.358 1.00 31.43 C ATOM 1274 O GLY A 80 7.453 7.124 -8.340 1.00 52.12 O ATOM 0 H GLY A 80 7.722 4.979 -9.385 1.00 70.44 H new ATOM 0 HA2 GLY A 80 7.389 7.086 -11.394 1.00 70.24 H new ATOM 0 HA3 GLY A 80 5.946 6.210 -10.925 1.00 70.24 H new ATOM 1278 N ILE A 81 5.985 8.414 -9.450 1.00 14.11 N ATOM 1279 CA ILE A 81 5.730 9.284 -8.314 1.00 12.32 C ATOM 1280 C ILE A 81 4.599 8.704 -7.460 1.00 40.43 C ATOM 1281 O ILE A 81 3.436 9.104 -7.542 1.00 24.51 O ATOM 1282 CB ILE A 81 5.426 10.739 -8.758 1.00 34.25 C ATOM 1283 CG1 ILE A 81 5.092 11.625 -7.552 1.00 13.43 C ATOM 1284 CG2 ILE A 81 4.307 10.785 -9.792 1.00 1.32 C ATOM 1285 CD1 ILE A 81 6.232 11.761 -6.564 1.00 12.20 C ATOM 0 H ILE A 81 5.482 8.670 -10.300 1.00 14.11 H new ATOM 0 HA ILE A 81 6.634 9.331 -7.707 1.00 12.32 H new ATOM 0 HB ILE A 81 6.327 11.132 -9.228 1.00 34.25 H new ATOM 0 HG12 ILE A 81 4.810 12.616 -7.907 1.00 13.43 H new ATOM 0 HG13 ILE A 81 4.224 11.212 -7.038 1.00 13.43 H new ATOM 0 HG21 ILE A 81 4.120 11.819 -10.080 1.00 1.32 H new ATOM 0 HG22 ILE A 81 4.600 10.210 -10.671 1.00 1.32 H new ATOM 0 HG23 ILE A 81 3.399 10.358 -9.365 1.00 1.32 H new ATOM 0 HD11 ILE A 81 5.923 12.401 -5.738 1.00 12.20 H new ATOM 0 HD12 ILE A 81 6.500 10.777 -6.180 1.00 12.20 H new ATOM 0 HD13 ILE A 81 7.095 12.203 -7.063 1.00 12.20 H new ATOM 1297 N VAL A 82 4.959 7.712 -6.674 1.00 31.12 N ATOM 1298 CA VAL A 82 4.009 6.996 -5.852 1.00 62.23 C ATOM 1299 C VAL A 82 4.748 6.266 -4.739 1.00 54.21 C ATOM 1300 O VAL A 82 5.868 5.802 -4.944 1.00 23.02 O ATOM 1301 CB VAL A 82 3.168 6.010 -6.705 1.00 73.12 C ATOM 1302 CG1 VAL A 82 4.052 5.195 -7.634 1.00 13.32 C ATOM 1303 CG2 VAL A 82 2.341 5.090 -5.821 1.00 65.53 C ATOM 0 H VAL A 82 5.919 7.380 -6.587 1.00 31.12 H new ATOM 0 HA VAL A 82 3.317 7.710 -5.406 1.00 62.23 H new ATOM 0 HB VAL A 82 2.487 6.604 -7.315 1.00 73.12 H new ATOM 0 HG11 VAL A 82 3.434 4.513 -8.219 1.00 13.32 H new ATOM 0 HG12 VAL A 82 4.589 5.865 -8.306 1.00 13.32 H new ATOM 0 HG13 VAL A 82 4.768 4.622 -7.045 1.00 13.32 H new ATOM 0 HG21 VAL A 82 1.762 4.410 -6.445 1.00 65.53 H new ATOM 0 HG22 VAL A 82 3.003 4.514 -5.175 1.00 65.53 H new ATOM 0 HG23 VAL A 82 1.664 5.686 -5.208 1.00 65.53 H new ATOM 1313 N PHE A 83 4.147 6.205 -3.555 1.00 21.00 N ATOM 1314 CA PHE A 83 4.802 5.565 -2.406 1.00 34.24 C ATOM 1315 C PHE A 83 3.817 4.730 -1.582 1.00 32.12 C ATOM 1316 O PHE A 83 2.697 4.455 -2.015 1.00 54.20 O ATOM 1317 CB PHE A 83 5.463 6.616 -1.507 1.00 53.13 C ATOM 1318 CG PHE A 83 6.602 7.359 -2.153 1.00 72.33 C ATOM 1319 CD1 PHE A 83 7.874 6.807 -2.185 1.00 10.42 C ATOM 1320 CD2 PHE A 83 6.402 8.607 -2.728 1.00 2.34 C ATOM 1321 CE1 PHE A 83 8.924 7.486 -2.777 1.00 13.51 C ATOM 1322 CE2 PHE A 83 7.448 9.288 -3.320 1.00 24.32 C ATOM 1323 CZ PHE A 83 8.712 8.727 -3.345 1.00 41.21 C ATOM 0 H PHE A 83 3.220 6.584 -3.361 1.00 21.00 H new ATOM 0 HA PHE A 83 5.565 4.896 -2.803 1.00 34.24 H new ATOM 0 HB2 PHE A 83 4.707 7.336 -1.194 1.00 53.13 H new ATOM 0 HB3 PHE A 83 5.830 6.126 -0.605 1.00 53.13 H new ATOM 0 HD1 PHE A 83 8.047 5.837 -1.743 1.00 10.42 H new ATOM 0 HD2 PHE A 83 5.417 9.050 -2.712 1.00 2.34 H new ATOM 0 HE1 PHE A 83 9.910 7.045 -2.795 1.00 13.51 H new ATOM 0 HE2 PHE A 83 7.279 10.258 -3.763 1.00 24.32 H new ATOM 0 HZ PHE A 83 9.531 9.258 -3.807 1.00 41.21 H new ATOM 1333 N ALA A 84 4.245 4.319 -0.390 1.00 62.40 N ATOM 1334 CA ALA A 84 3.411 3.512 0.496 1.00 11.04 C ATOM 1335 C ALA A 84 3.831 3.703 1.951 1.00 21.02 C ATOM 1336 O ALA A 84 4.979 4.056 2.229 1.00 43.30 O ATOM 1337 CB ALA A 84 3.499 2.044 0.108 1.00 33.24 C ATOM 0 H ALA A 84 5.169 4.533 -0.015 1.00 62.40 H new ATOM 0 HA ALA A 84 2.377 3.841 0.392 1.00 11.04 H new ATOM 0 HB1 ALA A 84 2.873 1.453 0.776 1.00 33.24 H new ATOM 0 HB2 ALA A 84 3.155 1.918 -0.918 1.00 33.24 H new ATOM 0 HB3 ALA A 84 4.533 1.708 0.188 1.00 33.24 H new ATOM 1343 N MET A 85 2.901 3.474 2.874 1.00 34.33 N ATOM 1344 CA MET A 85 3.187 3.635 4.298 1.00 43.54 C ATOM 1345 C MET A 85 2.289 2.770 5.181 1.00 13.31 C ATOM 1346 O MET A 85 1.103 2.573 4.898 1.00 21.20 O ATOM 1347 CB MET A 85 3.043 5.093 4.716 1.00 33.15 C ATOM 1348 CG MET A 85 1.781 5.755 4.186 1.00 43.53 C ATOM 1349 SD MET A 85 1.007 6.843 5.394 1.00 60.22 S ATOM 1350 CE MET A 85 0.451 5.625 6.584 1.00 63.44 C ATOM 0 H MET A 85 1.948 3.178 2.664 1.00 34.33 H new ATOM 0 HA MET A 85 4.216 3.306 4.441 1.00 43.54 H new ATOM 0 HB2 MET A 85 3.045 5.152 5.804 1.00 33.15 H new ATOM 0 HB3 MET A 85 3.911 5.651 4.365 1.00 33.15 H new ATOM 0 HG2 MET A 85 2.024 6.327 3.291 1.00 43.53 H new ATOM 0 HG3 MET A 85 1.069 4.985 3.888 1.00 43.53 H new ATOM 0 HE1 MET A 85 -0.617 5.753 6.764 1.00 63.44 H new ATOM 0 HE2 MET A 85 0.636 4.624 6.194 1.00 63.44 H new ATOM 0 HE3 MET A 85 0.994 5.756 7.520 1.00 63.44 H new ATOM 1360 N ALA A 86 2.869 2.292 6.275 1.00 24.11 N ATOM 1361 CA ALA A 86 2.175 1.444 7.232 1.00 13.42 C ATOM 1362 C ALA A 86 2.141 2.093 8.617 1.00 61.52 C ATOM 1363 O ALA A 86 2.488 3.275 8.760 1.00 44.15 O ATOM 1364 CB ALA A 86 2.851 0.092 7.290 1.00 51.53 C ATOM 0 H ALA A 86 3.840 2.484 6.523 1.00 24.11 H new ATOM 0 HA ALA A 86 1.143 1.314 6.905 1.00 13.42 H new ATOM 0 HB1 ALA A 86 2.332 -0.544 8.007 1.00 51.53 H new ATOM 0 HB2 ALA A 86 2.821 -0.372 6.304 1.00 51.53 H new ATOM 0 HB3 ALA A 86 3.888 0.217 7.601 1.00 51.53 H new ATOM 1370 N ARG A 87 1.724 1.338 9.642 1.00 50.22 N ATOM 1371 CA ARG A 87 1.585 1.912 10.981 1.00 65.32 C ATOM 1372 C ARG A 87 2.046 0.965 12.094 1.00 23.00 C ATOM 1373 O ARG A 87 2.790 1.373 12.986 1.00 61.40 O ATOM 1374 CB ARG A 87 0.126 2.329 11.241 1.00 71.50 C ATOM 1375 CG ARG A 87 -0.832 1.157 11.445 1.00 71.14 C ATOM 1376 CD ARG A 87 -2.259 1.621 11.666 1.00 51.24 C ATOM 1377 NE ARG A 87 -2.372 2.608 12.735 1.00 73.41 N ATOM 1378 CZ ARG A 87 -2.941 3.803 12.581 1.00 44.11 C ATOM 1379 NH1 ARG A 87 -3.388 4.179 11.388 1.00 21.10 N ATOM 1380 NH2 ARG A 87 -3.043 4.624 13.618 1.00 2.14 N ATOM 0 H ARG A 87 1.482 0.350 9.571 1.00 50.22 H new ATOM 0 HA ARG A 87 2.237 2.785 11.004 1.00 65.32 H new ATOM 0 HB2 ARG A 87 0.094 2.968 12.124 1.00 71.50 H new ATOM 0 HB3 ARG A 87 -0.224 2.928 10.401 1.00 71.50 H new ATOM 0 HG2 ARG A 87 -0.794 0.502 10.574 1.00 71.14 H new ATOM 0 HG3 ARG A 87 -0.506 0.567 12.302 1.00 71.14 H new ATOM 0 HD2 ARG A 87 -2.645 2.048 10.741 1.00 51.24 H new ATOM 0 HD3 ARG A 87 -2.884 0.760 11.905 1.00 51.24 H new ATOM 0 HE ARG A 87 -1.994 2.370 13.652 1.00 73.41 H new ATOM 0 HH11 ARG A 87 -3.296 3.553 10.588 1.00 21.10 H new ATOM 0 HH12 ARG A 87 -3.823 5.094 11.272 1.00 21.10 H new ATOM 0 HH21 ARG A 87 -2.686 4.340 14.530 1.00 2.14 H new ATOM 0 HH22 ARG A 87 -3.478 5.539 13.503 1.00 2.14 H new ATOM 1394 N VAL A 88 1.617 -0.294 12.045 1.00 62.12 N ATOM 1395 CA VAL A 88 1.721 -1.163 13.207 1.00 44.41 C ATOM 1396 C VAL A 88 2.948 -2.068 13.136 1.00 63.14 C ATOM 1397 O VAL A 88 3.551 -2.233 12.077 1.00 32.41 O ATOM 1398 CB VAL A 88 0.437 -2.014 13.378 1.00 41.02 C ATOM 1399 CG1 VAL A 88 0.424 -3.194 12.421 1.00 55.33 C ATOM 1400 CG2 VAL A 88 0.265 -2.475 14.819 1.00 32.33 C ATOM 0 H VAL A 88 1.199 -0.728 11.222 1.00 62.12 H new ATOM 0 HA VAL A 88 1.835 -0.518 14.078 1.00 44.41 H new ATOM 0 HB VAL A 88 -0.412 -1.377 13.130 1.00 41.02 H new ATOM 0 HG11 VAL A 88 -0.490 -3.770 12.567 1.00 55.33 H new ATOM 0 HG12 VAL A 88 0.464 -2.830 11.394 1.00 55.33 H new ATOM 0 HG13 VAL A 88 1.288 -3.829 12.615 1.00 55.33 H new ATOM 0 HG21 VAL A 88 -0.645 -3.069 14.905 1.00 32.33 H new ATOM 0 HG22 VAL A 88 1.123 -3.080 15.112 1.00 32.33 H new ATOM 0 HG23 VAL A 88 0.194 -1.606 15.473 1.00 32.33 H new ATOM 1410 N LYS A 89 3.289 -2.651 14.286 1.00 0.54 N ATOM 1411 CA LYS A 89 4.431 -3.558 14.435 1.00 72.42 C ATOM 1412 C LYS A 89 4.432 -4.678 13.398 1.00 62.32 C ATOM 1413 O LYS A 89 5.488 -5.139 12.983 1.00 2.31 O ATOM 1414 CB LYS A 89 4.432 -4.166 15.846 1.00 42.22 C ATOM 1415 CG LYS A 89 3.070 -4.119 16.527 1.00 11.22 C ATOM 1416 CD LYS A 89 2.990 -5.050 17.727 1.00 53.02 C ATOM 1417 CE LYS A 89 2.786 -6.492 17.296 1.00 44.23 C ATOM 1418 NZ LYS A 89 2.619 -7.408 18.456 1.00 0.44 N ATOM 0 H LYS A 89 2.773 -2.505 15.154 1.00 0.54 H new ATOM 0 HA LYS A 89 5.332 -2.966 14.276 1.00 72.42 H new ATOM 0 HB2 LYS A 89 4.764 -5.202 15.787 1.00 42.22 H new ATOM 0 HB3 LYS A 89 5.156 -3.634 16.462 1.00 42.22 H new ATOM 0 HG2 LYS A 89 2.862 -3.098 16.848 1.00 11.22 H new ATOM 0 HG3 LYS A 89 2.297 -4.391 15.808 1.00 11.22 H new ATOM 0 HD2 LYS A 89 3.905 -4.970 18.313 1.00 53.02 H new ATOM 0 HD3 LYS A 89 2.169 -4.742 18.374 1.00 53.02 H new ATOM 0 HE2 LYS A 89 1.907 -6.557 16.655 1.00 44.23 H new ATOM 0 HE3 LYS A 89 3.640 -6.815 16.700 1.00 44.23 H new ATOM 0 HZ1 LYS A 89 2.483 -8.381 18.114 1.00 0.44 H new ATOM 0 HZ2 LYS A 89 3.468 -7.368 19.055 1.00 0.44 H new ATOM 0 HZ3 LYS A 89 1.789 -7.117 19.011 1.00 0.44 H new ATOM 1432 N GLN A 90 3.254 -5.118 12.983 1.00 63.10 N ATOM 1433 CA GLN A 90 3.158 -6.187 11.999 1.00 65.12 C ATOM 1434 C GLN A 90 3.532 -5.699 10.610 1.00 1.10 C ATOM 1435 O GLN A 90 4.433 -6.253 9.976 1.00 33.12 O ATOM 1436 CB GLN A 90 1.752 -6.768 11.951 1.00 0.30 C ATOM 1437 CG GLN A 90 1.617 -8.109 12.647 1.00 45.03 C ATOM 1438 CD GLN A 90 0.303 -8.797 12.334 1.00 63.52 C ATOM 1439 OE1 GLN A 90 -0.191 -8.620 11.117 1.00 74.35 O flip ATOM 1440 NE2 GLN A 90 -0.247 -9.515 13.169 1.00 12.15 N flip ATOM 0 H GLN A 90 2.358 -4.756 13.308 1.00 63.10 H new ATOM 0 HA GLN A 90 3.860 -6.961 12.309 1.00 65.12 H new ATOM 0 HB2 GLN A 90 1.061 -6.060 12.410 1.00 0.30 H new ATOM 0 HB3 GLN A 90 1.450 -6.878 10.909 1.00 0.30 H new ATOM 0 HG2 GLN A 90 2.442 -8.755 12.347 1.00 45.03 H new ATOM 0 HG3 GLN A 90 1.700 -7.965 13.724 1.00 45.03 H new ATOM 0 HE21 GLN A 90 0.164 -9.626 14.096 1.00 12.15 H new ATOM 0 HE22 GLN A 90 -1.114 -9.999 12.934 1.00 12.15 H new ATOM 1449 N ASP A 91 2.843 -4.645 10.169 1.00 5.14 N ATOM 1450 CA ASP A 91 2.927 -4.151 8.791 1.00 42.45 C ATOM 1451 C ASP A 91 4.356 -4.138 8.271 1.00 51.33 C ATOM 1452 O ASP A 91 4.691 -4.857 7.333 1.00 20.15 O ATOM 1453 CB ASP A 91 2.381 -2.725 8.683 1.00 12.41 C ATOM 1454 CG ASP A 91 0.922 -2.578 9.056 1.00 13.03 C ATOM 1455 OD1 ASP A 91 0.101 -3.410 8.626 1.00 42.43 O ATOM 1456 OD2 ASP A 91 0.595 -1.608 9.781 1.00 24.11 O ATOM 0 H ASP A 91 2.208 -4.107 10.759 1.00 5.14 H new ATOM 0 HA ASP A 91 2.329 -4.837 8.191 1.00 42.45 H new ATOM 0 HB2 ASP A 91 2.974 -2.074 9.325 1.00 12.41 H new ATOM 0 HB3 ASP A 91 2.518 -2.374 7.660 1.00 12.41 H new ATOM 1461 N LEU A 92 5.197 -3.333 8.903 1.00 71.25 N ATOM 1462 CA LEU A 92 6.541 -3.101 8.402 1.00 0.01 C ATOM 1463 C LEU A 92 7.418 -4.346 8.517 1.00 62.31 C ATOM 1464 O LEU A 92 8.318 -4.534 7.713 1.00 54.01 O ATOM 1465 CB LEU A 92 7.198 -1.873 9.086 1.00 51.21 C ATOM 1466 CG LEU A 92 7.626 -1.986 10.571 1.00 73.22 C ATOM 1467 CD1 LEU A 92 6.537 -2.591 11.445 1.00 13.52 C ATOM 1468 CD2 LEU A 92 8.933 -2.754 10.717 1.00 11.11 C ATOM 0 H LEU A 92 4.972 -2.831 9.762 1.00 71.25 H new ATOM 0 HA LEU A 92 6.451 -2.875 7.340 1.00 0.01 H new ATOM 0 HB2 LEU A 92 8.082 -1.607 8.507 1.00 51.21 H new ATOM 0 HB3 LEU A 92 6.501 -1.039 9.006 1.00 51.21 H new ATOM 0 HG LEU A 92 7.790 -0.968 10.925 1.00 73.22 H new ATOM 0 HD11 LEU A 92 6.887 -2.648 12.476 1.00 13.52 H new ATOM 0 HD12 LEU A 92 5.645 -1.967 11.399 1.00 13.52 H new ATOM 0 HD13 LEU A 92 6.298 -3.592 11.087 1.00 13.52 H new ATOM 0 HD21 LEU A 92 9.204 -2.814 11.771 1.00 11.11 H new ATOM 0 HD22 LEU A 92 8.811 -3.760 10.316 1.00 11.11 H new ATOM 0 HD23 LEU A 92 9.721 -2.238 10.169 1.00 11.11 H new ATOM 1480 N ARG A 93 7.140 -5.208 9.489 1.00 40.31 N ATOM 1481 CA ARG A 93 7.985 -6.374 9.718 1.00 42.13 C ATOM 1482 C ARG A 93 7.844 -7.386 8.587 1.00 50.33 C ATOM 1483 O ARG A 93 8.830 -7.729 7.931 1.00 15.21 O ATOM 1484 CB ARG A 93 7.681 -7.021 11.074 1.00 72.34 C ATOM 1485 CG ARG A 93 8.251 -6.246 12.251 1.00 74.42 C ATOM 1486 CD ARG A 93 8.027 -6.967 13.571 1.00 53.10 C ATOM 1487 NE ARG A 93 8.636 -6.247 14.691 1.00 63.24 N ATOM 1488 CZ ARG A 93 9.181 -6.837 15.754 1.00 41.43 C ATOM 1489 NH1 ARG A 93 9.114 -8.155 15.905 1.00 34.45 N ATOM 1490 NH2 ARG A 93 9.765 -6.106 16.693 1.00 34.12 N ATOM 0 H ARG A 93 6.346 -5.124 10.124 1.00 40.31 H new ATOM 0 HA ARG A 93 9.020 -6.033 9.735 1.00 42.13 H new ATOM 0 HB2 ARG A 93 6.601 -7.107 11.194 1.00 72.34 H new ATOM 0 HB3 ARG A 93 8.085 -8.033 11.085 1.00 72.34 H new ATOM 0 HG2 ARG A 93 9.319 -6.091 12.100 1.00 74.42 H new ATOM 0 HG3 ARG A 93 7.789 -5.260 12.294 1.00 74.42 H new ATOM 0 HD2 ARG A 93 6.957 -7.078 13.748 1.00 53.10 H new ATOM 0 HD3 ARG A 93 8.446 -7.971 13.513 1.00 53.10 H new ATOM 0 HE ARG A 93 8.644 -5.228 14.655 1.00 63.24 H new ATOM 0 HH11 ARG A 93 8.642 -8.725 15.203 1.00 34.45 H new ATOM 0 HH12 ARG A 93 9.535 -8.597 16.723 1.00 34.45 H new ATOM 0 HH21 ARG A 93 9.797 -5.091 16.602 1.00 34.12 H new ATOM 0 HH22 ARG A 93 10.182 -6.559 17.506 1.00 34.12 H new ATOM 1504 N GLU A 94 6.624 -7.845 8.334 1.00 41.24 N ATOM 1505 CA GLU A 94 6.410 -8.821 7.271 1.00 35.03 C ATOM 1506 C GLU A 94 6.631 -8.204 5.891 1.00 20.25 C ATOM 1507 O GLU A 94 7.188 -8.859 5.009 1.00 63.02 O ATOM 1508 CB GLU A 94 5.033 -9.495 7.358 1.00 2.45 C ATOM 1509 CG GLU A 94 3.930 -8.638 7.956 1.00 70.43 C ATOM 1510 CD GLU A 94 3.421 -9.213 9.261 1.00 53.52 C ATOM 1511 OE1 GLU A 94 4.256 -9.626 10.098 1.00 11.41 O ATOM 1512 OE2 GLU A 94 2.192 -9.267 9.453 1.00 63.30 O ATOM 0 H GLU A 94 5.783 -7.565 8.838 1.00 41.24 H new ATOM 0 HA GLU A 94 7.156 -9.602 7.416 1.00 35.03 H new ATOM 0 HB2 GLU A 94 4.731 -9.800 6.356 1.00 2.45 H new ATOM 0 HB3 GLU A 94 5.128 -10.404 7.952 1.00 2.45 H new ATOM 0 HG2 GLU A 94 4.304 -7.628 8.124 1.00 70.43 H new ATOM 0 HG3 GLU A 94 3.106 -8.558 7.247 1.00 70.43 H new ATOM 1519 N SER A 95 6.226 -6.950 5.700 1.00 1.10 N ATOM 1520 CA SER A 95 6.468 -6.272 4.424 1.00 41.01 C ATOM 1521 C SER A 95 7.968 -6.178 4.154 1.00 52.12 C ATOM 1522 O SER A 95 8.425 -6.258 3.012 1.00 15.05 O ATOM 1523 CB SER A 95 5.843 -4.876 4.424 1.00 4.43 C ATOM 1524 OG SER A 95 4.454 -4.940 4.695 1.00 14.54 O ATOM 0 H SER A 95 5.737 -6.389 6.398 1.00 1.10 H new ATOM 0 HA SER A 95 6.001 -6.856 3.631 1.00 41.01 H new ATOM 0 HB2 SER A 95 6.334 -4.254 5.172 1.00 4.43 H new ATOM 0 HB3 SER A 95 6.007 -4.401 3.457 1.00 4.43 H new ATOM 0 HG SER A 95 4.313 -5.052 5.658 1.00 14.54 H new ATOM 1530 N LEU A 96 8.736 -6.028 5.224 1.00 31.42 N ATOM 1531 CA LEU A 96 10.183 -6.000 5.131 1.00 60.23 C ATOM 1532 C LEU A 96 10.729 -7.381 4.797 1.00 55.11 C ATOM 1533 O LEU A 96 11.771 -7.502 4.161 1.00 32.43 O ATOM 1534 CB LEU A 96 10.778 -5.496 6.439 1.00 54.13 C ATOM 1535 CG LEU A 96 11.444 -4.119 6.361 1.00 44.34 C ATOM 1536 CD1 LEU A 96 12.619 -4.160 5.399 1.00 43.54 C ATOM 1537 CD2 LEU A 96 10.440 -3.049 5.937 1.00 72.31 C ATOM 0 H LEU A 96 8.374 -5.923 6.172 1.00 31.42 H new ATOM 0 HA LEU A 96 10.466 -5.320 4.328 1.00 60.23 H new ATOM 0 HB2 LEU A 96 9.988 -5.458 7.189 1.00 54.13 H new ATOM 0 HB3 LEU A 96 11.515 -6.220 6.788 1.00 54.13 H new ATOM 0 HG LEU A 96 11.812 -3.859 7.353 1.00 44.34 H new ATOM 0 HD11 LEU A 96 13.085 -3.176 5.351 1.00 43.54 H new ATOM 0 HD12 LEU A 96 13.349 -4.891 5.747 1.00 43.54 H new ATOM 0 HD13 LEU A 96 12.267 -4.443 4.407 1.00 43.54 H new ATOM 0 HD21 LEU A 96 10.938 -2.081 5.889 1.00 72.31 H new ATOM 0 HD22 LEU A 96 10.036 -3.298 4.956 1.00 72.31 H new ATOM 0 HD23 LEU A 96 9.628 -3.004 6.663 1.00 72.31 H new ATOM 1549 N ARG A 97 10.020 -8.419 5.226 1.00 70.21 N ATOM 1550 CA ARG A 97 10.380 -9.788 4.873 1.00 24.35 C ATOM 1551 C ARG A 97 10.146 -10.030 3.385 1.00 63.41 C ATOM 1552 O ARG A 97 10.782 -10.891 2.776 1.00 63.10 O ATOM 1553 CB ARG A 97 9.570 -10.794 5.694 1.00 1.34 C ATOM 1554 CG ARG A 97 9.898 -10.797 7.178 1.00 10.23 C ATOM 1555 CD ARG A 97 11.362 -11.127 7.425 1.00 52.42 C ATOM 1556 NE ARG A 97 11.612 -11.504 8.814 1.00 10.30 N ATOM 1557 CZ ARG A 97 12.813 -11.821 9.295 1.00 71.44 C ATOM 1558 NH1 ARG A 97 13.901 -11.665 8.547 1.00 14.34 N ATOM 1559 NH2 ARG A 97 12.929 -12.274 10.533 1.00 44.12 N ATOM 0 H ARG A 97 9.193 -8.339 5.818 1.00 70.21 H new ATOM 0 HA ARG A 97 11.438 -9.927 5.097 1.00 24.35 H new ATOM 0 HB2 ARG A 97 8.509 -10.577 5.569 1.00 1.34 H new ATOM 0 HB3 ARG A 97 9.741 -11.793 5.294 1.00 1.34 H new ATOM 0 HG2 ARG A 97 9.667 -9.821 7.605 1.00 10.23 H new ATOM 0 HG3 ARG A 97 9.269 -11.525 7.689 1.00 10.23 H new ATOM 0 HD2 ARG A 97 11.666 -11.942 6.768 1.00 52.42 H new ATOM 0 HD3 ARG A 97 11.976 -10.264 7.167 1.00 52.42 H new ATOM 0 HE ARG A 97 10.819 -11.526 9.455 1.00 10.30 H new ATOM 0 HH11 ARG A 97 13.819 -11.300 7.598 1.00 14.34 H new ATOM 0 HH12 ARG A 97 14.817 -11.910 8.922 1.00 14.34 H new ATOM 0 HH21 ARG A 97 12.100 -12.380 11.117 1.00 44.12 H new ATOM 0 HH22 ARG A 97 13.848 -12.517 10.903 1.00 44.12 H new ATOM 1573 N ALA A 98 9.222 -9.271 2.811 1.00 32.24 N ATOM 1574 CA ALA A 98 8.935 -9.365 1.389 1.00 15.23 C ATOM 1575 C ALA A 98 9.955 -8.583 0.566 1.00 13.20 C ATOM 1576 O ALA A 98 10.660 -9.153 -0.268 1.00 53.42 O ATOM 1577 CB ALA A 98 7.523 -8.873 1.099 1.00 42.12 C ATOM 0 H ALA A 98 8.659 -8.583 3.311 1.00 32.24 H new ATOM 0 HA ALA A 98 9.006 -10.413 1.100 1.00 15.23 H new ATOM 0 HB1 ALA A 98 7.323 -8.950 0.030 1.00 42.12 H new ATOM 0 HB2 ALA A 98 6.805 -9.483 1.647 1.00 42.12 H new ATOM 0 HB3 ALA A 98 7.429 -7.833 1.412 1.00 42.12 H new ATOM 1583 N ALA A 99 10.044 -7.279 0.813 1.00 44.13 N ATOM 1584 CA ALA A 99 10.935 -6.418 0.043 1.00 64.14 C ATOM 1585 C ALA A 99 12.381 -6.532 0.516 1.00 5.52 C ATOM 1586 O ALA A 99 13.258 -6.929 -0.249 1.00 52.34 O ATOM 1587 CB ALA A 99 10.469 -4.976 0.121 1.00 10.50 C ATOM 0 H ALA A 99 9.512 -6.797 1.538 1.00 44.13 H new ATOM 0 HA ALA A 99 10.900 -6.751 -0.994 1.00 64.14 H new ATOM 0 HB1 ALA A 99 11.143 -4.344 -0.458 1.00 10.50 H new ATOM 0 HB2 ALA A 99 9.460 -4.897 -0.284 1.00 10.50 H new ATOM 0 HB3 ALA A 99 10.469 -4.649 1.161 1.00 10.50 H new ATOM 1593 N SER A 100 12.620 -6.141 1.770 1.00 62.43 N ATOM 1594 CA SER A 100 13.934 -6.259 2.421 1.00 74.31 C ATOM 1595 C SER A 100 14.943 -5.202 1.951 1.00 50.52 C ATOM 1596 O SER A 100 15.758 -4.728 2.743 1.00 34.42 O ATOM 1597 CB SER A 100 14.520 -7.662 2.216 1.00 12.41 C ATOM 1598 OG SER A 100 13.653 -8.661 2.732 1.00 61.13 O ATOM 0 H SER A 100 11.904 -5.730 2.369 1.00 62.43 H new ATOM 0 HA SER A 100 13.758 -6.084 3.482 1.00 74.31 H new ATOM 0 HB2 SER A 100 14.689 -7.837 1.153 1.00 12.41 H new ATOM 0 HB3 SER A 100 15.490 -7.729 2.708 1.00 12.41 H new ATOM 0 HG SER A 100 13.196 -8.318 3.528 1.00 61.13 H new ATOM 1604 N LEU A 101 14.868 -4.814 0.684 1.00 10.24 N ATOM 1605 CA LEU A 101 15.910 -3.993 0.056 1.00 24.54 C ATOM 1606 C LEU A 101 15.816 -2.497 0.417 1.00 72.40 C ATOM 1607 O LEU A 101 16.082 -1.634 -0.424 1.00 2.02 O ATOM 1608 CB LEU A 101 15.882 -4.179 -1.475 1.00 64.31 C ATOM 1609 CG LEU A 101 14.762 -3.460 -2.249 1.00 61.41 C ATOM 1610 CD1 LEU A 101 14.968 -3.632 -3.745 1.00 32.35 C ATOM 1611 CD2 LEU A 101 13.383 -3.970 -1.856 1.00 73.31 C ATOM 0 H LEU A 101 14.094 -5.053 0.064 1.00 10.24 H new ATOM 0 HA LEU A 101 16.862 -4.343 0.455 1.00 24.54 H new ATOM 0 HB2 LEU A 101 16.839 -3.842 -1.874 1.00 64.31 H new ATOM 0 HB3 LEU A 101 15.807 -5.246 -1.685 1.00 64.31 H new ATOM 0 HG LEU A 101 14.812 -2.402 -1.991 1.00 61.41 H new ATOM 0 HD11 LEU A 101 14.171 -3.120 -4.283 1.00 32.35 H new ATOM 0 HD12 LEU A 101 15.930 -3.207 -4.031 1.00 32.35 H new ATOM 0 HD13 LEU A 101 14.951 -4.693 -3.995 1.00 32.35 H new ATOM 0 HD21 LEU A 101 12.622 -3.436 -2.425 1.00 73.31 H new ATOM 0 HD22 LEU A 101 13.315 -5.037 -2.070 1.00 73.31 H new ATOM 0 HD23 LEU A 101 13.223 -3.803 -0.791 1.00 73.31 H new ATOM 1623 N LEU A 102 15.507 -2.186 1.677 1.00 13.05 N ATOM 1624 CA LEU A 102 15.465 -0.790 2.128 1.00 52.15 C ATOM 1625 C LEU A 102 16.836 -0.149 1.994 1.00 75.22 C ATOM 1626 O LEU A 102 16.962 1.067 1.877 1.00 43.13 O ATOM 1627 CB LEU A 102 15.016 -0.677 3.586 1.00 64.22 C ATOM 1628 CG LEU A 102 13.561 -1.032 3.863 1.00 12.21 C ATOM 1629 CD1 LEU A 102 13.231 -0.779 5.326 1.00 44.44 C ATOM 1630 CD2 LEU A 102 12.632 -0.232 2.966 1.00 0.54 C ATOM 0 H LEU A 102 15.284 -2.872 2.398 1.00 13.05 H new ATOM 0 HA LEU A 102 14.742 -0.274 1.496 1.00 52.15 H new ATOM 0 HB2 LEU A 102 15.650 -1.324 4.192 1.00 64.22 H new ATOM 0 HB3 LEU A 102 15.191 0.345 3.922 1.00 64.22 H new ATOM 0 HG LEU A 102 13.416 -2.090 3.646 1.00 12.21 H new ATOM 0 HD11 LEU A 102 12.188 -1.036 5.514 1.00 44.44 H new ATOM 0 HD12 LEU A 102 13.875 -1.393 5.956 1.00 44.44 H new ATOM 0 HD13 LEU A 102 13.393 0.274 5.559 1.00 44.44 H new ATOM 0 HD21 LEU A 102 11.598 -0.501 3.181 1.00 0.54 H new ATOM 0 HD22 LEU A 102 12.776 0.833 3.151 1.00 0.54 H new ATOM 0 HD23 LEU A 102 12.855 -0.452 1.922 1.00 0.54 H new ATOM 1642 N ASP A 103 17.857 -0.992 2.005 1.00 62.24 N ATOM 1643 CA ASP A 103 19.239 -0.549 1.898 1.00 74.10 C ATOM 1644 C ASP A 103 19.480 0.231 0.606 1.00 72.33 C ATOM 1645 O ASP A 103 20.369 1.078 0.545 1.00 12.22 O ATOM 1646 CB ASP A 103 20.180 -1.754 1.947 1.00 41.23 C ATOM 1647 CG ASP A 103 20.112 -2.515 3.256 1.00 65.42 C ATOM 1648 OD1 ASP A 103 19.279 -3.439 3.365 1.00 70.12 O ATOM 1649 OD2 ASP A 103 20.897 -2.204 4.176 1.00 15.32 O ATOM 0 H ASP A 103 17.751 -2.003 2.088 1.00 62.24 H new ATOM 0 HA ASP A 103 19.440 0.113 2.740 1.00 74.10 H new ATOM 0 HB2 ASP A 103 19.935 -2.431 1.128 1.00 41.23 H new ATOM 0 HB3 ASP A 103 21.203 -1.414 1.785 1.00 41.23 H new ATOM 1654 N LYS A 104 18.683 -0.044 -0.423 1.00 4.34 N ATOM 1655 CA LYS A 104 18.899 0.580 -1.723 1.00 75.23 C ATOM 1656 C LYS A 104 17.725 1.464 -2.157 1.00 45.11 C ATOM 1657 O LYS A 104 17.938 2.516 -2.755 1.00 63.42 O ATOM 1658 CB LYS A 104 19.206 -0.490 -2.773 1.00 21.50 C ATOM 1659 CG LYS A 104 18.160 -1.588 -2.878 1.00 10.21 C ATOM 1660 CD LYS A 104 18.769 -2.875 -3.412 1.00 34.42 C ATOM 1661 CE LYS A 104 19.807 -3.433 -2.447 1.00 21.40 C ATOM 1662 NZ LYS A 104 20.426 -4.688 -2.948 1.00 3.21 N ATOM 0 H LYS A 104 17.892 -0.686 -0.383 1.00 4.34 H new ATOM 0 HA LYS A 104 19.759 1.243 -1.629 1.00 75.23 H new ATOM 0 HB2 LYS A 104 19.308 -0.008 -3.745 1.00 21.50 H new ATOM 0 HB3 LYS A 104 20.169 -0.944 -2.540 1.00 21.50 H new ATOM 0 HG2 LYS A 104 17.720 -1.770 -1.898 1.00 10.21 H new ATOM 0 HG3 LYS A 104 17.353 -1.264 -3.535 1.00 10.21 H new ATOM 0 HD2 LYS A 104 17.983 -3.613 -3.572 1.00 34.42 H new ATOM 0 HD3 LYS A 104 19.232 -2.687 -4.380 1.00 34.42 H new ATOM 0 HE2 LYS A 104 20.585 -2.687 -2.283 1.00 21.40 H new ATOM 0 HE3 LYS A 104 19.338 -3.622 -1.482 1.00 21.40 H new ATOM 0 HZ1 LYS A 104 21.125 -5.030 -2.258 1.00 3.21 H new ATOM 0 HZ2 LYS A 104 19.689 -5.410 -3.081 1.00 3.21 H new ATOM 0 HZ3 LYS A 104 20.898 -4.504 -3.856 1.00 3.21 H new ATOM 1676 N ILE A 105 16.493 1.056 -1.859 1.00 42.12 N ATOM 1677 CA ILE A 105 15.335 1.878 -2.222 1.00 70.31 C ATOM 1678 C ILE A 105 15.134 3.001 -1.206 1.00 54.33 C ATOM 1679 O ILE A 105 14.460 3.992 -1.482 1.00 51.44 O ATOM 1680 CB ILE A 105 14.042 1.038 -2.396 1.00 12.21 C ATOM 1681 CG1 ILE A 105 13.746 0.187 -1.162 1.00 44.05 C ATOM 1682 CG2 ILE A 105 14.149 0.152 -3.626 1.00 51.40 C ATOM 1683 CD1 ILE A 105 12.928 0.903 -0.115 1.00 1.20 C ATOM 0 H ILE A 105 16.271 0.184 -1.379 1.00 42.12 H new ATOM 0 HA ILE A 105 15.547 2.324 -3.194 1.00 70.31 H new ATOM 0 HB ILE A 105 13.215 1.736 -2.525 1.00 12.21 H new ATOM 0 HG12 ILE A 105 13.216 -0.714 -1.471 1.00 44.05 H new ATOM 0 HG13 ILE A 105 14.688 -0.134 -0.718 1.00 44.05 H new ATOM 0 HG21 ILE A 105 13.235 -0.431 -3.735 1.00 51.40 H new ATOM 0 HG22 ILE A 105 14.291 0.773 -4.511 1.00 51.40 H new ATOM 0 HG23 ILE A 105 14.998 -0.522 -3.516 1.00 51.40 H new ATOM 0 HD11 ILE A 105 12.757 0.238 0.731 1.00 1.20 H new ATOM 0 HD12 ILE A 105 13.465 1.789 0.223 1.00 1.20 H new ATOM 0 HD13 ILE A 105 11.970 1.200 -0.542 1.00 1.20 H new ATOM 1695 N GLY A 106 15.735 2.827 -0.034 1.00 73.21 N ATOM 1696 CA GLY A 106 15.793 3.886 0.957 1.00 43.54 C ATOM 1697 C GLY A 106 14.464 4.203 1.613 1.00 40.31 C ATOM 1698 O GLY A 106 13.858 3.351 2.261 1.00 44.33 O ATOM 0 H GLY A 106 16.189 1.959 0.250 1.00 73.21 H new ATOM 0 HA2 GLY A 106 16.508 3.605 1.730 1.00 43.54 H new ATOM 0 HA3 GLY A 106 16.175 4.790 0.483 1.00 43.54 H new ATOM 1702 N GLU A 107 14.017 5.436 1.416 1.00 24.42 N ATOM 1703 CA GLU A 107 12.876 5.999 2.137 1.00 2.03 C ATOM 1704 C GLU A 107 11.547 5.644 1.473 1.00 71.10 C ATOM 1705 O GLU A 107 10.582 6.406 1.548 1.00 3.31 O ATOM 1706 CB GLU A 107 13.043 7.515 2.198 1.00 3.10 C ATOM 1707 CG GLU A 107 14.356 7.945 2.828 1.00 31.21 C ATOM 1708 CD GLU A 107 14.831 9.282 2.310 1.00 34.13 C ATOM 1709 OE1 GLU A 107 15.522 9.302 1.268 1.00 15.43 O ATOM 1710 OE2 GLU A 107 14.515 10.315 2.927 1.00 45.21 O ATOM 0 H GLU A 107 14.437 6.081 0.747 1.00 24.42 H new ATOM 0 HA GLU A 107 12.854 5.574 3.141 1.00 2.03 H new ATOM 0 HB2 GLU A 107 12.981 7.922 1.189 1.00 3.10 H new ATOM 0 HB3 GLU A 107 12.217 7.943 2.766 1.00 3.10 H new ATOM 0 HG2 GLU A 107 14.236 7.999 3.910 1.00 31.21 H new ATOM 0 HG3 GLU A 107 15.116 7.190 2.629 1.00 31.21 H new ATOM 1717 N ASP A 108 11.496 4.484 0.843 1.00 43.32 N ATOM 1718 CA ASP A 108 10.277 4.014 0.201 1.00 43.05 C ATOM 1719 C ASP A 108 9.581 2.983 1.095 1.00 10.40 C ATOM 1720 O ASP A 108 10.234 2.318 1.895 1.00 72.44 O ATOM 1721 CB ASP A 108 10.610 3.440 -1.183 1.00 2.14 C ATOM 1722 CG ASP A 108 9.451 2.717 -1.844 1.00 61.13 C ATOM 1723 OD1 ASP A 108 8.291 3.174 -1.726 1.00 4.51 O ATOM 1724 OD2 ASP A 108 9.697 1.671 -2.475 1.00 40.05 O ATOM 0 H ASP A 108 12.288 3.846 0.761 1.00 43.32 H new ATOM 0 HA ASP A 108 9.587 4.846 0.060 1.00 43.05 H new ATOM 0 HB2 ASP A 108 10.937 4.252 -1.833 1.00 2.14 H new ATOM 0 HB3 ASP A 108 11.449 2.750 -1.087 1.00 2.14 H new ATOM 1729 N HIS A 109 8.259 2.870 0.931 1.00 14.11 N ATOM 1730 CA HIS A 109 7.372 2.060 1.787 1.00 74.55 C ATOM 1731 C HIS A 109 7.804 2.050 3.259 1.00 5.20 C ATOM 1732 O HIS A 109 8.506 1.155 3.730 1.00 64.23 O ATOM 1733 CB HIS A 109 7.150 0.635 1.221 1.00 24.33 C ATOM 1734 CG HIS A 109 8.278 -0.353 1.362 1.00 41.34 C ATOM 1735 ND1 HIS A 109 8.104 -1.615 1.897 1.00 25.12 N ATOM 1736 CD2 HIS A 109 9.576 -0.289 0.989 1.00 14.02 C ATOM 1737 CE1 HIS A 109 9.245 -2.270 1.857 1.00 13.33 C ATOM 1738 NE2 HIS A 109 10.155 -1.491 1.308 1.00 44.33 N ATOM 0 H HIS A 109 7.759 3.349 0.182 1.00 14.11 H new ATOM 0 HA HIS A 109 6.401 2.555 1.769 1.00 74.55 H new ATOM 0 HB2 HIS A 109 6.271 0.213 1.708 1.00 24.33 H new ATOM 0 HB3 HIS A 109 6.914 0.727 0.161 1.00 24.33 H new ATOM 0 HD1 HIS A 109 7.227 -1.982 2.266 1.00 25.12 H new ATOM 0 HD2 HIS A 109 10.067 0.554 0.525 1.00 14.02 H new ATOM 0 HE1 HIS A 109 9.408 -3.276 2.214 1.00 13.33 H new ATOM 1747 N ILE A 110 7.351 3.064 3.984 1.00 13.21 N ATOM 1748 CA ILE A 110 7.747 3.269 5.373 1.00 0.44 C ATOM 1749 C ILE A 110 6.505 3.461 6.250 1.00 32.23 C ATOM 1750 O ILE A 110 5.491 2.808 6.026 1.00 30.32 O ATOM 1751 CB ILE A 110 8.718 4.475 5.539 1.00 13.51 C ATOM 1752 CG1 ILE A 110 8.082 5.807 5.093 1.00 61.05 C ATOM 1753 CG2 ILE A 110 10.012 4.222 4.780 1.00 4.32 C ATOM 1754 CD1 ILE A 110 7.982 6.008 3.593 1.00 4.41 C ATOM 0 H ILE A 110 6.701 3.766 3.629 1.00 13.21 H new ATOM 0 HA ILE A 110 8.285 2.377 5.694 1.00 0.44 H new ATOM 0 HB ILE A 110 8.938 4.566 6.603 1.00 13.51 H new ATOM 0 HG12 ILE A 110 7.081 5.873 5.519 1.00 61.05 H new ATOM 0 HG13 ILE A 110 8.663 6.627 5.515 1.00 61.05 H new ATOM 0 HG21 ILE A 110 10.680 5.074 4.906 1.00 4.32 H new ATOM 0 HG22 ILE A 110 10.492 3.324 5.169 1.00 4.32 H new ATOM 0 HG23 ILE A 110 9.792 4.087 3.721 1.00 4.32 H new ATOM 0 HD11 ILE A 110 7.521 6.974 3.385 1.00 4.41 H new ATOM 0 HD12 ILE A 110 8.980 5.980 3.155 1.00 4.41 H new ATOM 0 HD13 ILE A 110 7.373 5.215 3.159 1.00 4.41 H new ATOM 1766 N PHE A 111 6.581 4.338 7.248 1.00 42.41 N ATOM 1767 CA PHE A 111 5.452 4.582 8.148 1.00 1.12 C ATOM 1768 C PHE A 111 4.650 5.812 7.740 1.00 63.11 C ATOM 1769 O PHE A 111 4.959 6.467 6.746 1.00 4.31 O ATOM 1770 CB PHE A 111 5.941 4.761 9.585 1.00 52.20 C ATOM 1771 CG PHE A 111 6.383 3.488 10.229 1.00 14.01 C ATOM 1772 CD1 PHE A 111 5.487 2.449 10.406 1.00 21.02 C ATOM 1773 CD2 PHE A 111 7.686 3.329 10.664 1.00 11.31 C ATOM 1774 CE1 PHE A 111 5.881 1.274 11.002 1.00 53.43 C ATOM 1775 CE2 PHE A 111 8.089 2.154 11.265 1.00 74.41 C ATOM 1776 CZ PHE A 111 7.183 1.124 11.435 1.00 21.52 C ATOM 0 H PHE A 111 7.412 4.892 7.456 1.00 42.41 H new ATOM 0 HA PHE A 111 4.802 3.710 8.081 1.00 1.12 H new ATOM 0 HB2 PHE A 111 6.770 5.469 9.592 1.00 52.20 H new ATOM 0 HB3 PHE A 111 5.141 5.201 10.180 1.00 52.20 H new ATOM 0 HD1 PHE A 111 4.466 2.562 10.072 1.00 21.02 H new ATOM 0 HD2 PHE A 111 8.395 4.133 10.532 1.00 11.31 H new ATOM 0 HE1 PHE A 111 5.172 0.469 11.131 1.00 53.43 H new ATOM 0 HE2 PHE A 111 9.109 2.040 11.601 1.00 74.41 H new ATOM 0 HZ PHE A 111 7.493 0.203 11.906 1.00 21.52 H new ATOM 1786 N MET A 112 3.594 6.073 8.514 1.00 73.12 N ATOM 1787 CA MET A 112 2.778 7.289 8.390 1.00 34.34 C ATOM 1788 C MET A 112 3.625 8.525 8.082 1.00 32.25 C ATOM 1789 O MET A 112 4.432 8.955 8.907 1.00 60.40 O ATOM 1790 CB MET A 112 1.996 7.509 9.694 1.00 24.15 C ATOM 1791 CG MET A 112 1.388 8.902 9.847 1.00 41.15 C ATOM 1792 SD MET A 112 -0.409 8.933 9.645 1.00 13.21 S ATOM 1793 CE MET A 112 -0.588 8.641 7.891 1.00 23.10 C ATOM 0 H MET A 112 3.277 5.443 9.251 1.00 73.12 H new ATOM 0 HA MET A 112 2.093 7.148 7.554 1.00 34.34 H new ATOM 0 HB2 MET A 112 1.197 6.770 9.751 1.00 24.15 H new ATOM 0 HB3 MET A 112 2.662 7.324 10.537 1.00 24.15 H new ATOM 0 HG2 MET A 112 1.641 9.294 10.832 1.00 41.15 H new ATOM 0 HG3 MET A 112 1.839 9.569 9.113 1.00 41.15 H new ATOM 0 HE1 MET A 112 -1.253 9.391 7.463 1.00 23.10 H new ATOM 0 HE2 MET A 112 0.388 8.705 7.410 1.00 23.10 H new ATOM 0 HE3 MET A 112 -1.009 7.649 7.728 1.00 23.10 H new ATOM 1803 N THR A 113 3.431 9.083 6.889 1.00 11.11 N ATOM 1804 CA THR A 113 4.143 10.288 6.475 1.00 52.43 C ATOM 1805 C THR A 113 3.719 10.715 5.066 1.00 70.02 C ATOM 1806 O THR A 113 3.738 11.901 4.739 1.00 1.51 O ATOM 1807 CB THR A 113 5.682 10.094 6.520 1.00 33.52 C ATOM 1808 OG1 THR A 113 6.347 11.355 6.363 1.00 13.44 O ATOM 1809 CG2 THR A 113 6.159 9.134 5.438 1.00 74.13 C ATOM 0 H THR A 113 2.784 8.718 6.190 1.00 11.11 H new ATOM 0 HA THR A 113 3.878 11.073 7.184 1.00 52.43 H new ATOM 0 HB THR A 113 5.928 9.666 7.492 1.00 33.52 H new ATOM 0 HG1 THR A 113 7.317 11.219 6.395 1.00 13.44 H new ATOM 0 HG21 THR A 113 7.242 9.023 5.501 1.00 74.13 H new ATOM 0 HG22 THR A 113 5.686 8.162 5.580 1.00 74.13 H new ATOM 0 HG23 THR A 113 5.891 9.528 4.458 1.00 74.13 H new ATOM 1817 N LEU A 114 3.309 9.737 4.249 1.00 53.33 N ATOM 1818 CA LEU A 114 2.935 9.974 2.849 1.00 62.42 C ATOM 1819 C LEU A 114 1.996 11.178 2.662 1.00 41.11 C ATOM 1820 O LEU A 114 2.292 12.044 1.838 1.00 41.23 O ATOM 1821 CB LEU A 114 2.291 8.718 2.255 1.00 12.35 C ATOM 1822 CG LEU A 114 3.061 8.049 1.111 1.00 34.34 C ATOM 1823 CD1 LEU A 114 3.169 8.974 -0.096 1.00 1.05 C ATOM 1824 CD2 LEU A 114 4.439 7.610 1.577 1.00 73.32 C ATOM 0 H LEU A 114 3.227 8.762 4.538 1.00 53.33 H new ATOM 0 HA LEU A 114 3.859 10.211 2.321 1.00 62.42 H new ATOM 0 HB2 LEU A 114 2.159 7.988 3.054 1.00 12.35 H new ATOM 0 HB3 LEU A 114 1.296 8.979 1.894 1.00 12.35 H new ATOM 0 HG LEU A 114 2.503 7.164 0.804 1.00 34.34 H new ATOM 0 HD11 LEU A 114 3.720 8.472 -0.891 1.00 1.05 H new ATOM 0 HD12 LEU A 114 2.170 9.227 -0.451 1.00 1.05 H new ATOM 0 HD13 LEU A 114 3.694 9.885 0.190 1.00 1.05 H new ATOM 0 HD21 LEU A 114 4.969 7.137 0.750 1.00 73.32 H new ATOM 0 HD22 LEU A 114 5.001 8.479 1.919 1.00 73.32 H new ATOM 0 HD23 LEU A 114 4.336 6.898 2.396 1.00 73.32 H new ATOM 1836 N PRO A 115 0.860 11.260 3.406 1.00 54.43 N ATOM 1837 CA PRO A 115 -0.124 12.350 3.260 1.00 11.43 C ATOM 1838 C PRO A 115 0.506 13.738 3.193 1.00 42.44 C ATOM 1839 O PRO A 115 0.132 14.555 2.351 1.00 70.52 O ATOM 1840 CB PRO A 115 -1.015 12.237 4.511 1.00 41.11 C ATOM 1841 CG PRO A 115 -0.391 11.188 5.370 1.00 62.04 C ATOM 1842 CD PRO A 115 0.418 10.304 4.429 1.00 44.54 C ATOM 0 HA PRO A 115 -0.667 12.244 2.321 1.00 11.43 H new ATOM 0 HB2 PRO A 115 -1.070 13.190 5.038 1.00 41.11 H new ATOM 0 HB3 PRO A 115 -2.035 11.963 4.240 1.00 41.11 H new ATOM 0 HG2 PRO A 115 0.248 11.636 6.131 1.00 62.04 H new ATOM 0 HG3 PRO A 115 -1.152 10.608 5.893 1.00 62.04 H new ATOM 0 HD2 PRO A 115 1.260 9.833 4.936 1.00 44.54 H new ATOM 0 HD3 PRO A 115 -0.186 9.503 4.003 1.00 44.54 H new ATOM 1850 N THR A 116 1.461 14.013 4.071 1.00 43.03 N ATOM 1851 CA THR A 116 2.091 15.322 4.093 1.00 21.14 C ATOM 1852 C THR A 116 3.367 15.328 3.253 1.00 43.33 C ATOM 1853 O THR A 116 3.777 16.370 2.750 1.00 33.04 O ATOM 1854 CB THR A 116 2.403 15.791 5.533 1.00 32.44 C ATOM 1855 OG1 THR A 116 2.907 17.135 5.514 1.00 12.41 O ATOM 1856 CG2 THR A 116 3.417 14.879 6.208 1.00 3.21 C ATOM 0 H THR A 116 1.812 13.356 4.768 1.00 43.03 H new ATOM 0 HA THR A 116 1.378 16.024 3.660 1.00 21.14 H new ATOM 0 HB THR A 116 1.475 15.753 6.103 1.00 32.44 H new ATOM 0 HG1 THR A 116 3.101 17.425 6.430 1.00 12.41 H new ATOM 0 HG21 THR A 116 3.613 15.238 7.218 1.00 3.21 H new ATOM 0 HG22 THR A 116 3.020 13.865 6.254 1.00 3.21 H new ATOM 0 HG23 THR A 116 4.345 14.880 5.636 1.00 3.21 H new ATOM 1864 N ALA A 117 3.975 14.157 3.089 1.00 60.32 N ATOM 1865 CA ALA A 117 5.225 14.042 2.350 1.00 55.23 C ATOM 1866 C ALA A 117 5.017 14.345 0.872 1.00 33.24 C ATOM 1867 O ALA A 117 5.534 15.335 0.361 1.00 51.42 O ATOM 1868 CB ALA A 117 5.830 12.657 2.528 1.00 53.11 C ATOM 0 H ALA A 117 3.621 13.275 3.459 1.00 60.32 H new ATOM 0 HA ALA A 117 5.920 14.778 2.753 1.00 55.23 H new ATOM 0 HB1 ALA A 117 6.763 12.593 1.968 1.00 53.11 H new ATOM 0 HB2 ALA A 117 6.029 12.480 3.585 1.00 53.11 H new ATOM 0 HB3 ALA A 117 5.133 11.905 2.159 1.00 53.11 H new ATOM 1874 N VAL A 118 4.234 13.509 0.197 1.00 11.23 N ATOM 1875 CA VAL A 118 4.036 13.651 -1.239 1.00 34.41 C ATOM 1876 C VAL A 118 3.384 14.995 -1.560 1.00 54.02 C ATOM 1877 O VAL A 118 3.751 15.656 -2.532 1.00 51.42 O ATOM 1878 CB VAL A 118 3.194 12.488 -1.828 1.00 21.40 C ATOM 1879 CG1 VAL A 118 1.785 12.464 -1.248 1.00 61.42 C ATOM 1880 CG2 VAL A 118 3.150 12.567 -3.346 1.00 41.04 C ATOM 0 H VAL A 118 3.729 12.730 0.620 1.00 11.23 H new ATOM 0 HA VAL A 118 5.020 13.612 -1.707 1.00 34.41 H new ATOM 0 HB VAL A 118 3.682 11.555 -1.545 1.00 21.40 H new ATOM 0 HG11 VAL A 118 1.226 11.636 -1.684 1.00 61.42 H new ATOM 0 HG12 VAL A 118 1.839 12.336 -0.167 1.00 61.42 H new ATOM 0 HG13 VAL A 118 1.281 13.403 -1.477 1.00 61.42 H new ATOM 0 HG21 VAL A 118 2.554 11.742 -3.736 1.00 41.04 H new ATOM 0 HG22 VAL A 118 2.701 13.513 -3.648 1.00 41.04 H new ATOM 0 HG23 VAL A 118 4.163 12.503 -3.743 1.00 41.04 H new ATOM 1890 N GLN A 119 2.463 15.416 -0.701 1.00 12.22 N ATOM 1891 CA GLN A 119 1.737 16.661 -0.902 1.00 22.42 C ATOM 1892 C GLN A 119 2.685 17.854 -0.875 1.00 53.33 C ATOM 1893 O GLN A 119 2.563 18.762 -1.690 1.00 74.30 O ATOM 1894 CB GLN A 119 0.660 16.826 0.170 1.00 45.12 C ATOM 1895 CG GLN A 119 -0.218 18.051 -0.030 1.00 1.05 C ATOM 1896 CD GLN A 119 -1.279 18.203 1.045 1.00 13.44 C ATOM 1897 OE1 GLN A 119 -0.972 17.760 2.254 1.00 12.21 O flip ATOM 1898 NE2 GLN A 119 -2.362 18.722 0.789 1.00 12.31 N flip ATOM 0 H GLN A 119 2.202 14.909 0.145 1.00 12.22 H new ATOM 0 HA GLN A 119 1.261 16.621 -1.882 1.00 22.42 H new ATOM 0 HB2 GLN A 119 0.030 15.936 0.180 1.00 45.12 H new ATOM 0 HB3 GLN A 119 1.139 16.889 1.147 1.00 45.12 H new ATOM 0 HG2 GLN A 119 0.409 18.942 -0.042 1.00 1.05 H new ATOM 0 HG3 GLN A 119 -0.702 17.989 -1.004 1.00 1.05 H new ATOM 0 HE21 GLN A 119 -2.559 19.051 -0.156 1.00 12.31 H new ATOM 0 HE22 GLN A 119 -3.064 18.825 1.522 1.00 12.31 H new ATOM 1907 N ALA A 120 3.635 17.839 0.054 1.00 13.13 N ATOM 1908 CA ALA A 120 4.568 18.947 0.209 1.00 71.22 C ATOM 1909 C ALA A 120 5.658 18.920 -0.858 1.00 60.24 C ATOM 1910 O ALA A 120 6.125 19.968 -1.303 1.00 60.20 O ATOM 1911 CB ALA A 120 5.194 18.923 1.595 1.00 23.21 C ATOM 0 H ALA A 120 3.778 17.072 0.710 1.00 13.13 H new ATOM 0 HA ALA A 120 4.003 19.871 0.086 1.00 71.22 H new ATOM 0 HB1 ALA A 120 5.889 19.757 1.695 1.00 23.21 H new ATOM 0 HB2 ALA A 120 4.412 19.010 2.349 1.00 23.21 H new ATOM 0 HB3 ALA A 120 5.731 17.985 1.736 1.00 23.21 H new ATOM 1917 N PHE A 121 6.059 17.724 -1.266 1.00 4.02 N ATOM 1918 CA PHE A 121 7.129 17.572 -2.247 1.00 12.53 C ATOM 1919 C PHE A 121 6.727 18.149 -3.599 1.00 32.21 C ATOM 1920 O PHE A 121 7.484 18.908 -4.208 1.00 51.30 O ATOM 1921 CB PHE A 121 7.528 16.101 -2.400 1.00 15.03 C ATOM 1922 CG PHE A 121 8.183 15.518 -1.176 1.00 25.03 C ATOM 1923 CD1 PHE A 121 8.729 16.342 -0.204 1.00 45.24 C ATOM 1924 CD2 PHE A 121 8.246 14.145 -0.996 1.00 12.24 C ATOM 1925 CE1 PHE A 121 9.326 15.806 0.921 1.00 41.30 C ATOM 1926 CE2 PHE A 121 8.842 13.605 0.125 1.00 32.31 C ATOM 1927 CZ PHE A 121 9.382 14.436 1.086 1.00 12.54 C ATOM 0 H PHE A 121 5.661 16.845 -0.935 1.00 4.02 H new ATOM 0 HA PHE A 121 7.990 18.130 -1.879 1.00 12.53 H new ATOM 0 HB2 PHE A 121 6.640 15.516 -2.638 1.00 15.03 H new ATOM 0 HB3 PHE A 121 8.209 16.005 -3.246 1.00 15.03 H new ATOM 0 HD1 PHE A 121 8.687 17.414 -0.327 1.00 45.24 H new ATOM 0 HD2 PHE A 121 7.823 13.490 -1.743 1.00 12.24 H new ATOM 0 HE1 PHE A 121 9.749 16.458 1.671 1.00 41.30 H new ATOM 0 HE2 PHE A 121 8.886 12.533 0.251 1.00 32.31 H new ATOM 0 HZ PHE A 121 9.847 14.016 1.965 1.00 12.54 H new ATOM 1937 N ARG A 122 5.526 17.816 -4.052 1.00 3.31 N ATOM 1938 CA ARG A 122 5.031 18.292 -5.345 1.00 12.13 C ATOM 1939 C ARG A 122 4.402 19.677 -5.216 1.00 60.00 C ATOM 1940 O ARG A 122 3.586 20.091 -6.037 1.00 50.41 O ATOM 1941 CB ARG A 122 4.026 17.283 -5.924 1.00 12.32 C ATOM 1942 CG ARG A 122 2.811 17.047 -5.036 1.00 53.41 C ATOM 1943 CD ARG A 122 1.585 17.776 -5.555 1.00 54.14 C ATOM 1944 NE ARG A 122 0.604 18.025 -4.500 1.00 50.34 N ATOM 1945 CZ ARG A 122 -0.514 17.321 -4.334 1.00 13.53 C ATOM 1946 NH1 ARG A 122 -0.737 16.223 -5.048 1.00 1.43 N ATOM 1947 NH2 ARG A 122 -1.401 17.699 -3.418 1.00 15.44 N ATOM 0 H ARG A 122 4.873 17.218 -3.546 1.00 3.31 H new ATOM 0 HA ARG A 122 5.874 18.378 -6.030 1.00 12.13 H new ATOM 0 HB2 ARG A 122 3.689 17.638 -6.898 1.00 12.32 H new ATOM 0 HB3 ARG A 122 4.534 16.333 -6.089 1.00 12.32 H new ATOM 0 HG2 ARG A 122 2.603 15.979 -4.981 1.00 53.41 H new ATOM 0 HG3 ARG A 122 3.031 17.381 -4.022 1.00 53.41 H new ATOM 0 HD2 ARG A 122 1.889 18.725 -5.998 1.00 54.14 H new ATOM 0 HD3 ARG A 122 1.123 17.188 -6.348 1.00 54.14 H new ATOM 0 HE ARG A 122 0.788 18.788 -3.848 1.00 50.34 H new ATOM 0 HH11 ARG A 122 -0.048 15.911 -5.732 1.00 1.43 H new ATOM 0 HH12 ARG A 122 -1.597 15.692 -4.912 1.00 1.43 H new ATOM 0 HH21 ARG A 122 -1.223 18.525 -2.846 1.00 15.44 H new ATOM 0 HH22 ARG A 122 -2.259 17.163 -3.287 1.00 15.44 H new ATOM 1961 N ARG A 123 4.838 20.405 -4.209 1.00 64.42 N ATOM 1962 CA ARG A 123 4.233 21.675 -3.859 1.00 64.45 C ATOM 1963 C ARG A 123 5.302 22.711 -3.536 1.00 22.23 C ATOM 1964 O ARG A 123 5.307 23.803 -4.103 1.00 74.15 O ATOM 1965 CB ARG A 123 3.323 21.440 -2.664 1.00 30.23 C ATOM 1966 CG ARG A 123 2.874 22.682 -1.938 1.00 34.23 C ATOM 1967 CD ARG A 123 2.898 22.422 -0.449 1.00 15.20 C ATOM 1968 NE ARG A 123 4.116 22.936 0.178 1.00 65.03 N ATOM 1969 CZ ARG A 123 4.441 22.753 1.456 1.00 73.02 C ATOM 1970 NH1 ARG A 123 3.652 22.058 2.265 1.00 15.21 N ATOM 1971 NH2 ARG A 123 5.565 23.267 1.928 1.00 33.22 N ATOM 0 H ARG A 123 5.619 20.135 -3.611 1.00 64.42 H new ATOM 0 HA ARG A 123 3.656 22.064 -4.698 1.00 64.45 H new ATOM 0 HB2 ARG A 123 2.440 20.899 -3.003 1.00 30.23 H new ATOM 0 HB3 ARG A 123 3.841 20.793 -1.956 1.00 30.23 H new ATOM 0 HG2 ARG A 123 3.528 23.518 -2.184 1.00 34.23 H new ATOM 0 HG3 ARG A 123 1.869 22.960 -2.255 1.00 34.23 H new ATOM 0 HD2 ARG A 123 2.028 22.887 0.014 1.00 15.20 H new ATOM 0 HD3 ARG A 123 2.821 21.350 -0.267 1.00 15.20 H new ATOM 0 HE ARG A 123 4.760 23.471 -0.404 1.00 65.03 H new ATOM 0 HH11 ARG A 123 2.784 21.656 1.910 1.00 15.21 H new ATOM 0 HH12 ARG A 123 3.913 21.925 3.242 1.00 15.21 H new ATOM 0 HH21 ARG A 123 6.179 23.801 1.313 1.00 33.22 H new ATOM 0 HH22 ARG A 123 5.817 23.129 2.907 1.00 33.22 H new ATOM 1985 N ARG A 124 6.203 22.342 -2.626 1.00 11.30 N ATOM 1986 CA ARG A 124 7.295 23.205 -2.187 1.00 2.54 C ATOM 1987 C ARG A 124 6.762 24.452 -1.492 1.00 51.35 C ATOM 1988 O ARG A 124 6.636 24.421 -0.256 1.00 62.42 O ATOM 1989 CB ARG A 124 8.220 23.583 -3.355 1.00 42.03 C ATOM 1990 CG ARG A 124 8.907 22.388 -4.007 1.00 3.22 C ATOM 1991 CD ARG A 124 9.553 21.476 -2.973 1.00 11.15 C ATOM 1992 NE ARG A 124 10.439 22.206 -2.064 1.00 24.12 N ATOM 1993 CZ ARG A 124 10.607 21.897 -0.777 1.00 11.41 C ATOM 1994 NH1 ARG A 124 9.988 20.844 -0.257 1.00 11.34 N ATOM 1995 NH2 ARG A 124 11.399 22.634 -0.011 1.00 14.41 N ATOM 0 H ARG A 124 6.194 21.429 -2.171 1.00 11.30 H new ATOM 0 HA ARG A 124 7.887 22.641 -1.466 1.00 2.54 H new ATOM 0 HB2 ARG A 124 7.639 24.113 -4.110 1.00 42.03 H new ATOM 0 HB3 ARG A 124 8.981 24.275 -2.995 1.00 42.03 H new ATOM 0 HG2 ARG A 124 8.179 21.822 -4.587 1.00 3.22 H new ATOM 0 HG3 ARG A 124 9.666 22.741 -4.705 1.00 3.22 H new ATOM 0 HD2 ARG A 124 8.775 20.977 -2.395 1.00 11.15 H new ATOM 0 HD3 ARG A 124 10.121 20.697 -3.483 1.00 11.15 H new ATOM 0 HE ARG A 124 10.960 22.999 -2.438 1.00 24.12 H new ATOM 0 HH11 ARG A 124 9.382 20.269 -0.842 1.00 11.34 H new ATOM 0 HH12 ARG A 124 10.119 20.610 0.727 1.00 11.34 H new ATOM 0 HH21 ARG A 124 11.883 23.441 -0.405 1.00 14.41 H new ATOM 0 HH22 ARG A 124 11.525 22.394 0.972 1.00 14.41 H new TER 2009 ARG A 124