USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot -80:sc= -0.532 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.0308 K(o=-0.5,f=1.1) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0855 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.063) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -1.02 (180deg=-1.16) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0982 K(o=-0.098,f=-3.3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot -19:sc= 1.07 USER MOD Single : A 38 MET CE :methyl -145:sc= -1.66 (180deg=-6.21!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -30:sc= -0.585 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00772 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.447) USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.655 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -12:sc= 1.13 USER MOD Single : A 59 SER OG : rot 150:sc= 0 USER MOD Single : A 82 TYR OH : rot 12:sc= 0.291 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc=-0.00818 USER MOD Single : A 98 MET CE :methyl -174:sc= -0.412 (180deg=-0.429) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.367 16.379 -6.563 1.00 0.00 N ATOM 2 CA GLY A 1 -13.888 15.008 -6.649 1.00 0.00 C ATOM 3 C GLY A 1 -15.255 14.893 -5.999 1.00 0.00 C ATOM 4 O GLY A 1 -15.756 15.846 -5.396 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.286 16.780 -7.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.016 16.962 -5.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.430 16.367 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.954 14.707 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.194 14.322 -6.163 1.00 0.00 H new ATOM 8 N SER A 2 -15.866 13.711 -6.079 1.00 0.00 N ATOM 9 CA SER A 2 -17.090 13.354 -5.373 1.00 0.00 C ATOM 10 C SER A 2 -17.158 11.826 -5.278 1.00 0.00 C ATOM 11 O SER A 2 -16.771 11.138 -6.225 1.00 0.00 O ATOM 12 CB SER A 2 -18.295 13.909 -6.142 1.00 0.00 C ATOM 13 OG SER A 2 -19.461 13.802 -5.356 1.00 0.00 O ATOM 0 H SER A 2 -15.508 12.952 -6.658 1.00 0.00 H new ATOM 0 HA SER A 2 -17.100 13.778 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.119 14.952 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.424 13.361 -7.075 1.00 0.00 H new ATOM 0 HG SER A 2 -20.225 14.160 -5.854 1.00 0.00 H new ATOM 19 N HIS A 3 -17.700 11.301 -4.176 1.00 0.00 N ATOM 20 CA HIS A 3 -17.719 9.890 -3.790 1.00 0.00 C ATOM 21 C HIS A 3 -16.360 9.218 -4.009 1.00 0.00 C ATOM 22 O HIS A 3 -16.136 8.515 -4.988 1.00 0.00 O ATOM 23 CB HIS A 3 -18.879 9.135 -4.467 1.00 0.00 C ATOM 24 CG HIS A 3 -19.044 7.695 -4.025 1.00 0.00 C ATOM 25 ND1 HIS A 3 -19.845 6.763 -4.642 1.00 0.00 N ATOM 26 CD2 HIS A 3 -18.435 7.065 -2.973 1.00 0.00 C ATOM 27 CE1 HIS A 3 -19.735 5.607 -3.971 1.00 0.00 C ATOM 28 NE2 HIS A 3 -18.866 5.734 -2.954 1.00 0.00 N ATOM 0 H HIS A 3 -18.167 11.889 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.906 9.845 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.807 9.670 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.725 9.154 -5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.742 7.517 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.270 4.701 -4.214 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.578 5.006 -2.300 1.00 0.00 H new ATOM 36 N GLU A 4 -15.450 9.402 -3.059 1.00 0.00 N ATOM 37 CA GLU A 4 -14.186 8.675 -3.027 1.00 0.00 C ATOM 38 C GLU A 4 -13.770 8.496 -1.561 1.00 0.00 C ATOM 39 O GLU A 4 -14.604 8.686 -0.669 1.00 0.00 O ATOM 40 CB GLU A 4 -13.149 9.418 -3.882 1.00 0.00 C ATOM 41 CG GLU A 4 -12.442 8.439 -4.822 1.00 0.00 C ATOM 42 CD GLU A 4 -11.235 9.116 -5.460 1.00 0.00 C ATOM 43 OE1 GLU A 4 -10.162 9.117 -4.814 1.00 0.00 O ATOM 44 OE2 GLU A 4 -11.366 9.697 -6.561 1.00 0.00 O ATOM 0 H GLU A 4 -15.568 10.060 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.278 7.679 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.638 10.201 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.418 9.907 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.124 7.555 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.132 8.101 -5.595 1.00 0.00 H new ATOM 51 N GLY A 5 -12.521 8.124 -1.277 1.00 0.00 N ATOM 52 CA GLY A 5 -12.007 8.171 0.085 1.00 0.00 C ATOM 53 C GLY A 5 -12.058 6.836 0.801 1.00 0.00 C ATOM 54 O GLY A 5 -12.041 6.830 2.030 1.00 0.00 O ATOM 0 H GLY A 5 -11.853 7.789 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.975 8.522 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.580 8.902 0.656 1.00 0.00 H new ATOM 58 N GLU A 6 -12.101 5.725 0.067 1.00 0.00 N ATOM 59 CA GLU A 6 -11.798 4.408 0.603 1.00 0.00 C ATOM 60 C GLU A 6 -10.438 3.976 0.040 1.00 0.00 C ATOM 61 O GLU A 6 -10.376 3.277 -0.968 1.00 0.00 O ATOM 62 CB GLU A 6 -12.958 3.422 0.406 1.00 0.00 C ATOM 63 CG GLU A 6 -13.532 3.282 -1.012 1.00 0.00 C ATOM 64 CD GLU A 6 -14.779 2.384 -1.021 1.00 0.00 C ATOM 65 OE1 GLU A 6 -15.743 2.682 -0.279 1.00 0.00 O ATOM 66 OE2 GLU A 6 -14.813 1.412 -1.812 1.00 0.00 O ATOM 0 H GLU A 6 -12.349 5.718 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.701 4.431 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.623 2.438 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.769 3.719 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.787 4.267 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.774 2.863 -1.674 1.00 0.00 H new ATOM 73 N PRO A 7 -9.326 4.430 0.643 1.00 0.00 N ATOM 74 CA PRO A 7 -7.971 4.045 0.256 1.00 0.00 C ATOM 75 C PRO A 7 -7.683 2.609 0.734 1.00 0.00 C ATOM 76 O PRO A 7 -6.847 2.374 1.605 1.00 0.00 O ATOM 77 CB PRO A 7 -7.084 5.099 0.935 1.00 0.00 C ATOM 78 CG PRO A 7 -7.854 5.359 2.231 1.00 0.00 C ATOM 79 CD PRO A 7 -9.278 5.404 1.725 1.00 0.00 C ATOM 0 HA PRO A 7 -7.798 4.026 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.077 4.727 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.983 6.000 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.703 4.567 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.556 6.294 2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.985 5.151 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.539 6.401 1.370 1.00 0.00 H new ATOM 87 N VAL A 8 -8.401 1.627 0.203 1.00 0.00 N ATOM 88 CA VAL A 8 -8.416 0.264 0.724 1.00 0.00 C ATOM 89 C VAL A 8 -7.993 -0.706 -0.373 1.00 0.00 C ATOM 90 O VAL A 8 -8.176 -0.440 -1.566 1.00 0.00 O ATOM 91 CB VAL A 8 -9.798 -0.016 1.357 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.945 -0.083 0.338 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.791 -1.296 2.201 1.00 0.00 C ATOM 0 H VAL A 8 -8.998 1.756 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.689 0.124 1.524 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.985 0.843 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.882 -0.283 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.018 0.868 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.750 -0.882 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.781 -1.456 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.526 -2.145 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.061 -1.198 3.005 1.00 0.00 H new ATOM 103 N VAL A 9 -7.428 -1.852 0.015 1.00 0.00 N ATOM 104 CA VAL A 9 -6.972 -2.870 -0.917 1.00 0.00 C ATOM 105 C VAL A 9 -8.107 -3.875 -1.123 1.00 0.00 C ATOM 106 O VAL A 9 -7.961 -5.065 -0.848 1.00 0.00 O ATOM 107 CB VAL A 9 -5.603 -3.460 -0.509 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.003 -4.166 -1.730 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.595 -2.406 -0.020 1.00 0.00 C ATOM 0 H VAL A 9 -7.276 -2.095 0.994 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.756 -2.440 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.784 -4.140 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.035 -4.591 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.672 -4.963 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.875 -3.447 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.659 -2.895 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.412 -1.682 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.999 -1.893 0.853 1.00 0.00 H new ATOM 119 N GLY A 10 -9.229 -3.362 -1.642 1.00 0.00 N ATOM 120 CA GLY A 10 -10.339 -4.147 -2.144 1.00 0.00 C ATOM 121 C GLY A 10 -9.890 -4.927 -3.374 1.00 0.00 C ATOM 122 O GLY A 10 -9.492 -6.089 -3.261 1.00 0.00 O ATOM 0 H GLY A 10 -9.384 -2.357 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.692 -4.833 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.175 -3.495 -2.398 1.00 0.00 H new ATOM 126 N MET A 11 -9.921 -4.285 -4.551 1.00 0.00 N ATOM 127 CA MET A 11 -9.513 -4.912 -5.809 1.00 0.00 C ATOM 128 C MET A 11 -8.721 -3.997 -6.749 1.00 0.00 C ATOM 129 O MET A 11 -7.819 -4.507 -7.416 1.00 0.00 O ATOM 130 CB MET A 11 -10.723 -5.529 -6.536 1.00 0.00 C ATOM 131 CG MET A 11 -11.437 -6.592 -5.684 1.00 0.00 C ATOM 132 SD MET A 11 -12.566 -7.691 -6.572 1.00 0.00 S ATOM 133 CE MET A 11 -11.357 -8.826 -7.301 1.00 0.00 C ATOM 0 H MET A 11 -10.230 -3.318 -4.654 1.00 0.00 H new ATOM 0 HA MET A 11 -8.820 -5.703 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.429 -4.740 -6.795 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.391 -5.979 -7.471 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.680 -7.202 -5.191 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.998 -6.084 -4.900 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.876 -9.581 -7.891 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.676 -8.268 -7.944 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.790 -9.312 -6.507 1.00 0.00 H new ATOM 143 N ASP A 12 -9.017 -2.691 -6.821 1.00 0.00 N ATOM 144 CA ASP A 12 -8.417 -1.785 -7.815 1.00 0.00 C ATOM 145 C ASP A 12 -7.241 -0.999 -7.235 1.00 0.00 C ATOM 146 O ASP A 12 -7.377 -0.374 -6.180 1.00 0.00 O ATOM 147 CB ASP A 12 -9.435 -0.754 -8.329 1.00 0.00 C ATOM 148 CG ASP A 12 -8.974 -0.112 -9.651 1.00 0.00 C ATOM 149 OD1 ASP A 12 -7.818 -0.331 -10.080 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.780 0.637 -10.244 1.00 0.00 O ATOM 0 H ASP A 12 -9.678 -2.232 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.078 -2.428 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.401 -1.238 -8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.578 0.022 -7.577 1.00 0.00 H new ATOM 155 N LYS A 13 -6.096 -0.966 -7.920 1.00 0.00 N ATOM 156 CA LYS A 13 -5.016 -0.034 -7.617 1.00 0.00 C ATOM 157 C LYS A 13 -5.204 1.210 -8.462 1.00 0.00 C ATOM 158 O LYS A 13 -4.782 1.238 -9.621 1.00 0.00 O ATOM 159 CB LYS A 13 -3.640 -0.689 -7.792 1.00 0.00 C ATOM 160 CG LYS A 13 -3.414 -1.570 -6.563 1.00 0.00 C ATOM 161 CD LYS A 13 -1.982 -2.074 -6.416 1.00 0.00 C ATOM 162 CE LYS A 13 -1.933 -3.267 -5.462 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.657 -3.020 -4.206 1.00 0.00 N ATOM 0 H LYS A 13 -5.894 -1.588 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.055 0.259 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.607 -1.283 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.859 0.067 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.683 -1.006 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.086 -2.426 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.590 -2.363 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.345 -1.273 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.359 -4.140 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.893 -3.504 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.679 -3.893 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.175 -2.271 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.630 -2.721 -4.419 1.00 0.00 H new ATOM 177 N SER A 14 -5.847 2.211 -7.866 1.00 0.00 N ATOM 178 CA SER A 14 -6.029 3.540 -8.426 1.00 0.00 C ATOM 179 C SER A 14 -6.400 4.500 -7.283 1.00 0.00 C ATOM 180 O SER A 14 -5.727 5.497 -7.049 1.00 0.00 O ATOM 181 CB SER A 14 -7.094 3.448 -9.533 1.00 0.00 C ATOM 182 OG SER A 14 -6.873 4.380 -10.572 1.00 0.00 O ATOM 0 H SER A 14 -6.271 2.111 -6.944 1.00 0.00 H new ATOM 0 HA SER A 14 -5.122 3.933 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.097 2.440 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.080 3.618 -9.100 1.00 0.00 H new ATOM 0 HG SER A 14 -7.572 4.284 -11.252 1.00 0.00 H new ATOM 188 N LEU A 15 -7.425 4.152 -6.500 1.00 0.00 N ATOM 189 CA LEU A 15 -8.076 4.964 -5.460 1.00 0.00 C ATOM 190 C LEU A 15 -7.223 5.362 -4.231 1.00 0.00 C ATOM 191 O LEU A 15 -7.769 5.919 -3.274 1.00 0.00 O ATOM 192 CB LEU A 15 -9.437 4.326 -5.090 1.00 0.00 C ATOM 193 CG LEU A 15 -9.447 2.802 -4.880 1.00 0.00 C ATOM 194 CD1 LEU A 15 -8.418 2.392 -3.838 1.00 0.00 C ATOM 195 CD2 LEU A 15 -10.836 2.326 -4.473 1.00 0.00 C ATOM 0 H LEU A 15 -7.855 3.230 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.234 5.943 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.798 4.798 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.152 4.566 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.182 2.328 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.444 1.310 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.424 2.694 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.647 2.878 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.823 1.246 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.129 2.812 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.551 2.579 -5.256 1.00 0.00 H new ATOM 207 N PHE A 16 -5.910 5.115 -4.223 1.00 0.00 N ATOM 208 CA PHE A 16 -5.024 5.347 -3.075 1.00 0.00 C ATOM 209 C PHE A 16 -4.417 6.756 -3.038 1.00 0.00 C ATOM 210 O PHE A 16 -3.673 7.051 -2.102 1.00 0.00 O ATOM 211 CB PHE A 16 -3.893 4.309 -3.047 1.00 0.00 C ATOM 212 CG PHE A 16 -4.343 2.882 -2.869 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.856 2.145 -3.950 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.221 2.286 -1.606 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.258 0.814 -3.758 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.620 0.955 -1.418 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.147 0.223 -2.495 1.00 0.00 C ATOM 0 H PHE A 16 -5.420 4.739 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.655 5.247 -2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.329 4.383 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.208 4.562 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.941 2.601 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.820 2.852 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.654 0.245 -4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.522 0.493 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.467 -0.798 -2.348 1.00 0.00 H new ATOM 227 N ALA A 17 -4.712 7.625 -4.010 1.00 0.00 N ATOM 228 CA ALA A 17 -4.209 8.991 -4.033 1.00 0.00 C ATOM 229 C ALA A 17 -5.337 9.963 -3.682 1.00 0.00 C ATOM 230 O ALA A 17 -6.006 10.509 -4.564 1.00 0.00 O ATOM 231 CB ALA A 17 -3.563 9.292 -5.392 1.00 0.00 C ATOM 0 H ALA A 17 -5.309 7.394 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.431 9.117 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.190 10.316 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.735 8.603 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.304 9.171 -6.182 1.00 0.00 H new ATOM 237 N GLY A 18 -5.535 10.198 -2.385 1.00 0.00 N ATOM 238 CA GLY A 18 -6.378 11.283 -1.906 1.00 0.00 C ATOM 239 C GLY A 18 -6.530 11.352 -0.387 1.00 0.00 C ATOM 240 O GLY A 18 -6.748 12.459 0.117 1.00 0.00 O ATOM 0 H GLY A 18 -5.115 9.640 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.966 12.228 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.367 11.180 -2.352 1.00 0.00 H new ATOM 244 N ASN A 19 -6.408 10.245 0.369 1.00 0.00 N ATOM 245 CA ASN A 19 -6.627 10.314 1.815 1.00 0.00 C ATOM 246 C ASN A 19 -5.295 10.487 2.540 1.00 0.00 C ATOM 247 O ASN A 19 -4.581 9.522 2.792 1.00 0.00 O ATOM 248 CB ASN A 19 -7.389 9.085 2.301 1.00 0.00 C ATOM 249 CG ASN A 19 -7.621 9.132 3.806 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.538 9.782 4.302 1.00 0.00 O ATOM 251 ND2 ASN A 19 -6.797 8.429 4.559 1.00 0.00 N ATOM 0 H ASN A 19 -6.166 9.321 0.011 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.242 11.184 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.347 9.022 1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.830 8.185 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.915 8.419 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.042 7.896 4.128 1.00 0.00 H new ATOM 258 N THR A 20 -4.972 11.712 2.919 1.00 0.00 N ATOM 259 CA THR A 20 -3.755 12.181 3.585 1.00 0.00 C ATOM 260 C THR A 20 -3.541 11.642 5.021 1.00 0.00 C ATOM 261 O THR A 20 -2.833 12.267 5.815 1.00 0.00 O ATOM 262 CB THR A 20 -3.849 13.723 3.556 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.166 14.163 3.866 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.529 14.253 2.159 1.00 0.00 C ATOM 0 H THR A 20 -5.617 12.485 2.754 1.00 0.00 H new ATOM 0 HA THR A 20 -2.881 11.798 3.059 1.00 0.00 H new ATOM 0 HB THR A 20 -3.137 14.095 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.198 15.142 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.600 15.341 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.518 13.955 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.240 13.842 1.442 1.00 0.00 H new ATOM 272 N VAL A 21 -4.192 10.538 5.411 1.00 0.00 N ATOM 273 CA VAL A 21 -4.429 10.174 6.811 1.00 0.00 C ATOM 274 C VAL A 21 -4.343 8.646 7.029 1.00 0.00 C ATOM 275 O VAL A 21 -4.627 8.157 8.124 1.00 0.00 O ATOM 276 CB VAL A 21 -5.805 10.739 7.268 1.00 0.00 C ATOM 277 CG1 VAL A 21 -5.855 10.950 8.787 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.192 12.094 6.641 1.00 0.00 C ATOM 0 H VAL A 21 -4.575 9.862 4.750 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.644 10.618 7.423 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.507 9.977 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.831 11.345 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.690 9.998 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.079 11.656 9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.165 12.406 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.444 12.843 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.240 11.993 5.557 1.00 0.00 H new ATOM 288 N ILE A 22 -3.999 7.854 6.011 1.00 0.00 N ATOM 289 CA ILE A 22 -3.977 6.403 6.072 1.00 0.00 C ATOM 290 C ILE A 22 -2.580 5.994 6.505 1.00 0.00 C ATOM 291 O ILE A 22 -1.637 6.075 5.717 1.00 0.00 O ATOM 292 CB ILE A 22 -4.449 5.773 4.744 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.279 4.246 4.804 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.786 6.338 3.476 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.027 3.563 3.666 1.00 0.00 C ATOM 0 H ILE A 22 -3.722 8.220 5.100 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.688 6.021 6.805 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.501 6.043 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.220 3.993 4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.647 3.874 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.186 5.829 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.993 7.406 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.709 6.180 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.888 2.484 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.089 3.797 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.640 3.918 2.711 1.00 0.00 H new ATOM 307 N ARG A 23 -2.447 5.591 7.768 1.00 0.00 N ATOM 308 CA ARG A 23 -1.156 5.188 8.317 1.00 0.00 C ATOM 309 C ARG A 23 -0.838 3.737 8.005 1.00 0.00 C ATOM 310 O ARG A 23 0.328 3.372 8.119 1.00 0.00 O ATOM 311 CB ARG A 23 -1.103 5.468 9.828 1.00 0.00 C ATOM 312 CG ARG A 23 -1.294 6.963 10.116 1.00 0.00 C ATOM 313 CD ARG A 23 -1.400 7.307 11.600 1.00 0.00 C ATOM 314 NE ARG A 23 -1.781 8.720 11.772 1.00 0.00 N ATOM 315 CZ ARG A 23 -0.993 9.777 11.539 1.00 0.00 C ATOM 316 NH1 ARG A 23 0.289 9.618 11.230 1.00 0.00 N ATOM 317 NH2 ARG A 23 -1.516 10.999 11.599 1.00 0.00 N ATOM 0 H ARG A 23 -3.220 5.535 8.431 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.384 5.788 7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.878 4.894 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.146 5.136 10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.458 7.514 9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.196 7.307 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.139 6.663 12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.446 7.118 12.093 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.729 8.910 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.686 8.681 11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.876 10.433 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.504 11.120 11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.929 11.814 11.424 1.00 0.00 H new ATOM 331 N GLU A 24 -1.819 2.927 7.595 1.00 0.00 N ATOM 332 CA GLU A 24 -1.653 1.480 7.434 1.00 0.00 C ATOM 333 C GLU A 24 -2.350 1.010 6.170 1.00 0.00 C ATOM 334 O GLU A 24 -3.542 1.278 6.004 1.00 0.00 O ATOM 335 CB GLU A 24 -2.270 0.705 8.619 1.00 0.00 C ATOM 336 CG GLU A 24 -1.362 0.574 9.849 1.00 0.00 C ATOM 337 CD GLU A 24 -1.282 -0.863 10.377 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.314 -1.375 10.875 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.202 -1.488 10.256 1.00 0.00 O ATOM 0 H GLU A 24 -2.755 3.259 7.364 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.582 1.286 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.193 1.202 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.542 -0.294 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.360 0.919 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.732 1.227 10.640 1.00 0.00 H new ATOM 346 N ILE A 25 -1.656 0.250 5.323 1.00 0.00 N ATOM 347 CA ILE A 25 -2.194 -0.302 4.083 1.00 0.00 C ATOM 348 C ILE A 25 -1.872 -1.799 4.060 1.00 0.00 C ATOM 349 O ILE A 25 -0.773 -2.222 3.698 1.00 0.00 O ATOM 350 CB ILE A 25 -1.653 0.459 2.850 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.988 1.958 2.910 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.266 -0.113 1.561 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.225 2.793 1.881 1.00 0.00 C ATOM 0 H ILE A 25 -0.682 -0.004 5.485 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.276 -0.177 4.040 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.570 0.334 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.058 2.090 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.764 2.333 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.877 0.431 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.006 -1.168 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.350 -0.009 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.510 3.841 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.153 2.691 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.467 2.444 0.877 1.00 0.00 H new ATOM 365 N THR A 26 -2.836 -2.623 4.449 1.00 0.00 N ATOM 366 CA THR A 26 -2.742 -4.076 4.316 1.00 0.00 C ATOM 367 C THR A 26 -3.058 -4.469 2.869 1.00 0.00 C ATOM 368 O THR A 26 -4.194 -4.277 2.427 1.00 0.00 O ATOM 369 CB THR A 26 -3.709 -4.766 5.285 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.516 -4.287 6.601 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.487 -6.289 5.251 1.00 0.00 C ATOM 0 H THR A 26 -3.710 -2.304 4.868 1.00 0.00 H new ATOM 0 HA THR A 26 -1.731 -4.398 4.564 1.00 0.00 H new ATOM 0 HB THR A 26 -4.730 -4.542 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.142 -4.736 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.177 -6.773 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.664 -6.660 4.242 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.462 -6.514 5.545 1.00 0.00 H new ATOM 379 N VAL A 27 -2.096 -5.024 2.129 1.00 0.00 N ATOM 380 CA VAL A 27 -2.194 -5.382 0.715 1.00 0.00 C ATOM 381 C VAL A 27 -2.101 -6.899 0.536 1.00 0.00 C ATOM 382 O VAL A 27 -1.124 -7.522 0.953 1.00 0.00 O ATOM 383 CB VAL A 27 -1.078 -4.703 -0.113 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.445 -4.676 -1.598 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.803 -3.245 0.241 1.00 0.00 C ATOM 0 H VAL A 27 -1.181 -5.247 2.521 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.162 -5.032 0.356 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.198 -5.305 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.646 -4.194 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.579 -5.696 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.372 -4.119 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.005 -2.861 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.707 -2.656 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.500 -3.175 1.286 1.00 0.00 H new ATOM 395 N GLN A 28 -3.088 -7.499 -0.129 1.00 0.00 N ATOM 396 CA GLN A 28 -3.018 -8.898 -0.546 1.00 0.00 C ATOM 397 C GLN A 28 -2.186 -9.106 -1.818 1.00 0.00 C ATOM 398 O GLN A 28 -1.863 -8.132 -2.501 1.00 0.00 O ATOM 399 CB GLN A 28 -4.408 -9.563 -0.584 1.00 0.00 C ATOM 400 CG GLN A 28 -5.622 -8.662 -0.759 1.00 0.00 C ATOM 401 CD GLN A 28 -6.881 -9.522 -0.715 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.457 -9.863 -1.743 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.286 -9.957 0.462 1.00 0.00 N ATOM 0 H GLN A 28 -3.955 -7.031 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.464 -9.429 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.410 -10.289 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.537 -10.122 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.651 -7.910 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.562 -8.128 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.798 -9.666 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.087 -10.585 0.526 1.00 0.00 H new ATOM 412 N PRO A 29 -1.791 -10.352 -2.122 1.00 0.00 N ATOM 413 CA PRO A 29 -1.119 -10.670 -3.366 1.00 0.00 C ATOM 414 C PRO A 29 -2.149 -10.673 -4.493 1.00 0.00 C ATOM 415 O PRO A 29 -3.354 -10.818 -4.251 1.00 0.00 O ATOM 416 CB PRO A 29 -0.500 -12.047 -3.144 1.00 0.00 C ATOM 417 CG PRO A 29 -1.408 -12.713 -2.115 1.00 0.00 C ATOM 418 CD PRO A 29 -2.000 -11.551 -1.322 1.00 0.00 C ATOM 0 HA PRO A 29 -0.349 -9.950 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.463 -12.620 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.524 -11.968 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.188 -13.304 -2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.848 -13.390 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.062 -11.711 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.515 -11.458 -0.350 1.00 0.00 H new ATOM 426 N ASN A 30 -1.663 -10.578 -5.729 1.00 0.00 N ATOM 427 CA ASN A 30 -2.467 -10.553 -6.952 1.00 0.00 C ATOM 428 C ASN A 30 -3.654 -9.579 -6.840 1.00 0.00 C ATOM 429 O ASN A 30 -4.798 -9.955 -7.101 1.00 0.00 O ATOM 430 CB ASN A 30 -2.933 -11.960 -7.359 1.00 0.00 C ATOM 431 CG ASN A 30 -1.799 -12.971 -7.340 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.977 -13.009 -8.247 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.731 -13.788 -6.303 1.00 0.00 N ATOM 0 H ASN A 30 -0.662 -10.514 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.819 -10.183 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.722 -12.289 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.366 -11.922 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.979 -14.474 -6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.431 -13.732 -5.563 1.00 0.00 H new ATOM 440 N ILE A 31 -3.408 -8.314 -6.475 1.00 0.00 N ATOM 441 CA ILE A 31 -4.464 -7.321 -6.262 1.00 0.00 C ATOM 442 C ILE A 31 -4.146 -5.956 -6.903 1.00 0.00 C ATOM 443 O ILE A 31 -4.677 -4.922 -6.492 1.00 0.00 O ATOM 444 CB ILE A 31 -4.846 -7.297 -4.765 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.294 -6.797 -4.579 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.870 -6.473 -3.934 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.263 -7.978 -4.655 1.00 0.00 C ATOM 0 H ILE A 31 -2.467 -7.951 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.364 -7.617 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.785 -8.322 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.394 -6.294 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.537 -6.065 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.180 -6.486 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.870 -6.897 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.861 -5.445 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.284 -7.620 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.171 -8.462 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.025 -8.695 -3.869 1.00 0.00 H new ATOM 459 N GLY A 32 -3.266 -5.921 -7.900 1.00 0.00 N ATOM 460 CA GLY A 32 -3.089 -4.777 -8.787 1.00 0.00 C ATOM 461 C GLY A 32 -1.614 -4.463 -8.985 1.00 0.00 C ATOM 462 O GLY A 32 -0.770 -4.743 -8.130 1.00 0.00 O ATOM 0 H GLY A 32 -2.646 -6.701 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.553 -4.985 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.597 -3.907 -8.370 1.00 0.00 H new ATOM 466 N LEU A 33 -1.293 -3.733 -10.051 1.00 0.00 N ATOM 467 CA LEU A 33 0.069 -3.266 -10.279 1.00 0.00 C ATOM 468 C LEU A 33 0.372 -2.159 -9.278 1.00 0.00 C ATOM 469 O LEU A 33 -0.399 -1.213 -9.145 1.00 0.00 O ATOM 470 CB LEU A 33 0.269 -2.744 -11.710 1.00 0.00 C ATOM 471 CG LEU A 33 1.765 -2.458 -11.997 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.459 -3.751 -12.427 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.939 -1.420 -13.110 1.00 0.00 C ATOM 0 H LEU A 33 -1.960 -3.453 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 33 0.750 -4.106 -10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.107 -3.477 -12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.312 -1.833 -11.852 1.00 0.00 H new ATOM 0 HG LEU A 33 2.208 -2.066 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.511 -3.550 -12.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.377 -4.490 -11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.984 -4.136 -13.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.001 -1.246 -13.282 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.478 -1.788 -14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.462 -0.486 -12.814 1.00 0.00 H new ATOM 485 N LEU A 34 1.489 -2.273 -8.573 1.00 0.00 N ATOM 486 CA LEU A 34 2.090 -1.180 -7.832 1.00 0.00 C ATOM 487 C LEU A 34 2.959 -0.433 -8.844 1.00 0.00 C ATOM 488 O LEU A 34 4.109 -0.812 -9.038 1.00 0.00 O ATOM 489 CB LEU A 34 2.919 -1.768 -6.682 1.00 0.00 C ATOM 490 CG LEU A 34 2.068 -2.280 -5.511 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.866 -3.304 -4.698 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.620 -1.134 -4.601 1.00 0.00 C ATOM 0 H LEU A 34 2.011 -3.146 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 34 1.362 -0.501 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.526 -2.588 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.607 -1.007 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 34 1.176 -2.751 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.257 -3.664 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.140 -4.143 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.769 -2.835 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.020 -1.532 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.496 -0.628 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.025 -0.425 -5.176 1.00 0.00 H new ATOM 504 N TYR A 35 2.384 0.531 -9.562 1.00 0.00 N ATOM 505 CA TYR A 35 3.118 1.379 -10.503 1.00 0.00 C ATOM 506 C TYR A 35 3.937 2.425 -9.718 1.00 0.00 C ATOM 507 O TYR A 35 4.118 2.316 -8.502 1.00 0.00 O ATOM 508 CB TYR A 35 2.177 1.966 -11.596 1.00 0.00 C ATOM 509 CG TYR A 35 0.725 2.309 -11.259 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.212 1.288 -11.018 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.289 3.649 -11.189 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.546 1.588 -10.686 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.024 3.961 -10.821 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.959 2.937 -10.600 1.00 0.00 C ATOM 515 OH TYR A 35 -3.232 3.272 -10.280 1.00 0.00 O ATOM 0 H TYR A 35 1.389 0.748 -9.507 1.00 0.00 H new ATOM 0 HA TYR A 35 3.837 0.784 -11.066 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.645 2.876 -11.971 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.158 1.255 -12.422 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.098 0.256 -11.089 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.979 4.446 -11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.251 0.792 -10.498 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.320 4.993 -10.706 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.820 2.503 -10.430 1.00 0.00 H new ATOM 525 N ASP A 36 4.448 3.447 -10.405 1.00 0.00 N ATOM 526 CA ASP A 36 4.897 4.691 -9.788 1.00 0.00 C ATOM 527 C ASP A 36 3.696 5.563 -9.426 1.00 0.00 C ATOM 528 O ASP A 36 2.663 5.528 -10.097 1.00 0.00 O ATOM 529 CB ASP A 36 5.848 5.439 -10.727 1.00 0.00 C ATOM 530 CG ASP A 36 5.134 5.939 -11.980 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.758 5.084 -12.810 1.00 0.00 O ATOM 532 OD2 ASP A 36 4.951 7.165 -12.157 1.00 0.00 O ATOM 0 H ASP A 36 4.562 3.432 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 36 5.439 4.454 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.289 6.284 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.667 4.780 -11.015 1.00 0.00 H new ATOM 537 N GLY A 37 3.795 6.349 -8.360 1.00 0.00 N ATOM 538 CA GLY A 37 2.884 7.454 -8.084 1.00 0.00 C ATOM 539 C GLY A 37 1.549 7.086 -7.432 1.00 0.00 C ATOM 540 O GLY A 37 0.743 7.991 -7.209 1.00 0.00 O ATOM 0 H GLY A 37 4.521 6.235 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.396 8.166 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.676 7.968 -9.022 1.00 0.00 H new ATOM 544 N MET A 38 1.284 5.817 -7.096 1.00 0.00 N ATOM 545 CA MET A 38 0.021 5.371 -6.490 1.00 0.00 C ATOM 546 C MET A 38 -0.231 6.127 -5.180 1.00 0.00 C ATOM 547 O MET A 38 -1.374 6.375 -4.809 1.00 0.00 O ATOM 548 CB MET A 38 0.065 3.870 -6.120 1.00 0.00 C ATOM 549 CG MET A 38 -0.814 2.972 -7.003 1.00 0.00 C ATOM 550 SD MET A 38 -2.415 2.436 -6.333 1.00 0.00 S ATOM 551 CE MET A 38 -1.860 1.520 -4.873 1.00 0.00 C ATOM 0 H MET A 38 1.951 5.059 -7.239 1.00 0.00 H new ATOM 0 HA MET A 38 -0.760 5.559 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.096 3.523 -6.183 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.247 3.755 -5.082 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.002 3.501 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.239 2.080 -7.252 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.518 0.667 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.841 1.167 -5.030 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.887 2.174 -4.001 1.00 0.00 H new ATOM 561 N PHE A 39 0.857 6.424 -4.456 1.00 0.00 N ATOM 562 CA PHE A 39 0.856 6.988 -3.111 1.00 0.00 C ATOM 563 C PHE A 39 1.281 8.455 -3.127 1.00 0.00 C ATOM 564 O PHE A 39 1.639 9.008 -2.081 1.00 0.00 O ATOM 565 CB PHE A 39 1.743 6.141 -2.183 1.00 0.00 C ATOM 566 CG PHE A 39 1.419 4.664 -2.227 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.149 4.204 -1.826 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.351 3.765 -2.773 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.204 2.859 -2.022 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.988 2.426 -2.991 1.00 0.00 C ATOM 571 CZ PHE A 39 0.704 1.975 -2.632 1.00 0.00 C ATOM 0 H PHE A 39 1.800 6.269 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.161 6.961 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.787 6.285 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.632 6.500 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.553 4.885 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.345 4.103 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.173 2.503 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.695 1.741 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.417 0.952 -2.825 1.00 0.00 H new ATOM 581 N SER A 40 1.234 9.094 -4.297 1.00 0.00 N ATOM 582 CA SER A 40 1.378 10.529 -4.432 1.00 0.00 C ATOM 583 C SER A 40 0.288 11.155 -3.562 1.00 0.00 C ATOM 584 O SER A 40 -0.902 11.007 -3.850 1.00 0.00 O ATOM 585 CB SER A 40 1.290 10.898 -5.921 1.00 0.00 C ATOM 586 OG SER A 40 1.639 12.247 -6.155 1.00 0.00 O ATOM 0 H SER A 40 1.092 8.614 -5.186 1.00 0.00 H new ATOM 0 HA SER A 40 2.342 10.907 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.951 10.248 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.276 10.719 -6.279 1.00 0.00 H new ATOM 0 HG SER A 40 1.572 12.441 -7.113 1.00 0.00 H new ATOM 592 N GLY A 41 0.687 11.781 -2.453 1.00 0.00 N ATOM 593 CA GLY A 41 -0.212 12.446 -1.523 1.00 0.00 C ATOM 594 C GLY A 41 -0.482 11.672 -0.236 1.00 0.00 C ATOM 595 O GLY A 41 -1.264 12.155 0.587 1.00 0.00 O ATOM 0 H GLY A 41 1.667 11.838 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.208 13.418 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.161 12.632 -2.026 1.00 0.00 H new ATOM 599 N CYS A 42 0.103 10.489 -0.019 1.00 0.00 N ATOM 600 CA CYS A 42 -0.055 9.762 1.241 1.00 0.00 C ATOM 601 C CYS A 42 0.865 10.358 2.316 1.00 0.00 C ATOM 602 O CYS A 42 1.808 9.714 2.781 1.00 0.00 O ATOM 603 CB CYS A 42 0.207 8.270 1.027 1.00 0.00 C ATOM 604 SG CYS A 42 -0.951 7.599 -0.191 1.00 0.00 S ATOM 0 H CYS A 42 0.692 10.015 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.081 9.867 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.232 8.119 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.102 7.736 1.971 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.065 8.267 -0.145 1.00 0.00 H new ATOM 610 N THR A 43 0.588 11.594 2.720 1.00 0.00 N ATOM 611 CA THR A 43 1.395 12.420 3.608 1.00 0.00 C ATOM 612 C THR A 43 1.489 11.875 5.044 1.00 0.00 C ATOM 613 O THR A 43 2.234 12.423 5.859 1.00 0.00 O ATOM 614 CB THR A 43 0.800 13.841 3.578 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.578 13.795 3.889 1.00 0.00 O ATOM 616 CG2 THR A 43 0.914 14.501 2.198 1.00 0.00 C ATOM 0 H THR A 43 -0.259 12.074 2.416 1.00 0.00 H new ATOM 0 HA THR A 43 2.425 12.419 3.252 1.00 0.00 H new ATOM 0 HB THR A 43 1.368 14.420 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.948 14.702 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.479 15.500 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.964 14.573 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.380 13.900 1.462 1.00 0.00 H new ATOM 624 N ALA A 44 0.745 10.815 5.381 1.00 0.00 N ATOM 625 CA ALA A 44 0.727 10.197 6.699 1.00 0.00 C ATOM 626 C ALA A 44 0.825 8.677 6.589 1.00 0.00 C ATOM 627 O ALA A 44 0.295 7.982 7.450 1.00 0.00 O ATOM 628 CB ALA A 44 -0.539 10.633 7.448 1.00 0.00 C ATOM 0 H ALA A 44 0.121 10.354 4.718 1.00 0.00 H new ATOM 0 HA ALA A 44 1.596 10.530 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.555 10.171 8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.543 11.718 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.420 10.320 6.887 1.00 0.00 H new ATOM 634 N LEU A 45 1.413 8.137 5.517 1.00 0.00 N ATOM 635 CA LEU A 45 1.700 6.707 5.435 1.00 0.00 C ATOM 636 C LEU A 45 2.830 6.410 6.409 1.00 0.00 C ATOM 637 O LEU A 45 3.801 7.164 6.462 1.00 0.00 O ATOM 638 CB LEU A 45 2.093 6.323 4.005 1.00 0.00 C ATOM 639 CG LEU A 45 1.565 4.950 3.539 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.641 4.856 2.010 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.694 3.612 4.262 1.00 0.00 C ATOM 0 H LEU A 45 1.698 8.671 4.696 1.00 0.00 H new ATOM 0 HA LEU A 45 0.818 6.122 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.725 7.089 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.180 6.324 3.929 1.00 0.00 H new ATOM 0 HG LEU A 45 0.581 5.049 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.267 3.885 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.034 5.645 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.676 4.971 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.215 2.831 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.749 3.371 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.210 3.677 5.237 1.00 0.00 H new ATOM 653 N GLU A 46 2.712 5.334 7.190 1.00 0.00 N ATOM 654 CA GLU A 46 3.740 4.952 8.154 1.00 0.00 C ATOM 655 C GLU A 46 3.983 3.438 8.137 1.00 0.00 C ATOM 656 O GLU A 46 5.102 3.003 8.425 1.00 0.00 O ATOM 657 CB GLU A 46 3.393 5.488 9.562 1.00 0.00 C ATOM 658 CG GLU A 46 3.171 7.013 9.531 1.00 0.00 C ATOM 659 CD GLU A 46 3.001 7.687 10.880 1.00 0.00 C ATOM 660 OE1 GLU A 46 1.977 7.439 11.553 1.00 0.00 O ATOM 661 OE2 GLU A 46 3.785 8.615 11.187 1.00 0.00 O ATOM 0 H GLU A 46 1.906 4.709 7.171 1.00 0.00 H new ATOM 0 HA GLU A 46 4.682 5.416 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.495 4.993 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.199 5.248 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.017 7.473 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.286 7.219 8.930 1.00 0.00 H new ATOM 668 N LYS A 47 2.997 2.632 7.721 1.00 0.00 N ATOM 669 CA LYS A 47 3.000 1.171 7.742 1.00 0.00 C ATOM 670 C LYS A 47 2.273 0.607 6.521 1.00 0.00 C ATOM 671 O LYS A 47 1.371 1.232 5.966 1.00 0.00 O ATOM 672 CB LYS A 47 2.218 0.702 8.988 1.00 0.00 C ATOM 673 CG LYS A 47 2.984 0.141 10.177 1.00 0.00 C ATOM 674 CD LYS A 47 3.381 -1.322 9.974 1.00 0.00 C ATOM 675 CE LYS A 47 3.265 -2.058 11.310 1.00 0.00 C ATOM 676 NZ LYS A 47 1.967 -2.755 11.467 1.00 0.00 N ATOM 0 H LYS A 47 2.129 3.008 7.340 1.00 0.00 H new ATOM 0 HA LYS A 47 4.034 0.827 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.632 1.549 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.511 -0.061 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.880 0.739 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.372 0.228 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.735 -1.788 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.401 -1.387 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.075 -2.783 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.391 -1.345 12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.745 -2.852 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.219 -2.205 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.025 -3.698 11.033 1.00 0.00 H new ATOM 690 N LEU A 48 2.632 -0.613 6.148 1.00 0.00 N ATOM 691 CA LEU A 48 2.043 -1.420 5.097 1.00 0.00 C ATOM 692 C LEU A 48 2.269 -2.871 5.527 1.00 0.00 C ATOM 693 O LEU A 48 3.269 -3.168 6.185 1.00 0.00 O ATOM 694 CB LEU A 48 2.738 -1.063 3.771 1.00 0.00 C ATOM 695 CG LEU A 48 2.395 -1.987 2.584 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.874 -1.203 1.392 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.647 -2.714 2.114 1.00 0.00 C ATOM 0 H LEU A 48 3.401 -1.098 6.609 1.00 0.00 H new ATOM 0 HA LEU A 48 0.977 -1.251 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.473 -0.040 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.817 -1.083 3.927 1.00 0.00 H new ATOM 0 HG LEU A 48 1.632 -2.680 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.644 -1.890 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.971 -0.664 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.633 -0.492 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.397 -3.364 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.394 -1.986 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.048 -3.313 2.931 1.00 0.00 H new ATOM 709 N ILE A 49 1.348 -3.770 5.180 1.00 0.00 N ATOM 710 CA ILE A 49 1.398 -5.194 5.512 1.00 0.00 C ATOM 711 C ILE A 49 1.146 -5.974 4.214 1.00 0.00 C ATOM 712 O ILE A 49 0.319 -5.533 3.413 1.00 0.00 O ATOM 713 CB ILE A 49 0.382 -5.488 6.640 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.896 -4.920 7.987 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.143 -6.998 6.761 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.208 -4.606 8.999 1.00 0.00 C ATOM 0 H ILE A 49 0.519 -3.519 4.642 1.00 0.00 H new ATOM 0 HA ILE A 49 2.367 -5.506 5.901 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.562 -5.003 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.587 -5.637 8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.463 -4.010 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.574 -7.190 7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.251 -7.381 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.084 -7.498 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.237 -4.213 9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.887 -3.864 8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.762 -5.517 9.227 1.00 0.00 H new ATOM 728 N LEU A 50 1.818 -7.118 3.999 1.00 0.00 N ATOM 729 CA LEU A 50 1.654 -7.951 2.799 1.00 0.00 C ATOM 730 C LEU A 50 1.203 -9.360 3.191 1.00 0.00 C ATOM 731 O LEU A 50 1.961 -10.081 3.845 1.00 0.00 O ATOM 732 CB LEU A 50 2.954 -8.044 1.970 1.00 0.00 C ATOM 733 CG LEU A 50 3.483 -6.754 1.315 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.643 -7.043 0.370 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.433 -5.915 0.597 1.00 0.00 C ATOM 0 H LEU A 50 2.497 -7.493 4.661 1.00 0.00 H new ATOM 0 HA LEU A 50 0.894 -7.473 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.737 -8.436 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.796 -8.780 1.181 1.00 0.00 H new ATOM 0 HG LEU A 50 3.826 -6.152 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.991 -6.111 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.458 -7.507 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.311 -7.719 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.904 -5.030 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.979 -6.504 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.664 -5.610 1.306 1.00 0.00 H new ATOM 747 N THR A 51 0.001 -9.772 2.777 1.00 0.00 N ATOM 748 CA THR A 51 -0.579 -11.074 3.129 1.00 0.00 C ATOM 749 C THR A 51 -0.156 -12.218 2.179 1.00 0.00 C ATOM 750 O THR A 51 -0.654 -13.341 2.296 1.00 0.00 O ATOM 751 CB THR A 51 -2.110 -10.969 3.217 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.694 -10.937 1.943 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.636 -9.719 3.931 1.00 0.00 C ATOM 0 H THR A 51 -0.604 -9.206 2.182 1.00 0.00 H new ATOM 0 HA THR A 51 -0.177 -11.338 4.107 1.00 0.00 H new ATOM 0 HB THR A 51 -2.382 -11.854 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.638 -11.191 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.726 -9.737 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.264 -9.701 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.293 -8.828 3.405 1.00 0.00 H new ATOM 761 N GLY A 52 0.718 -11.954 1.199 1.00 0.00 N ATOM 762 CA GLY A 52 1.261 -12.971 0.309 1.00 0.00 C ATOM 763 C GLY A 52 2.604 -13.480 0.819 1.00 0.00 C ATOM 764 O GLY A 52 3.261 -12.817 1.627 1.00 0.00 O ATOM 0 H GLY A 52 1.068 -11.016 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.560 -13.802 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.381 -12.557 -0.692 1.00 0.00 H new ATOM 768 N GLU A 53 3.023 -14.640 0.320 1.00 0.00 N ATOM 769 CA GLU A 53 4.101 -15.433 0.913 1.00 0.00 C ATOM 770 C GLU A 53 5.368 -15.462 0.058 1.00 0.00 C ATOM 771 O GLU A 53 6.329 -16.136 0.430 1.00 0.00 O ATOM 772 CB GLU A 53 3.574 -16.853 1.189 1.00 0.00 C ATOM 773 CG GLU A 53 2.700 -16.850 2.449 1.00 0.00 C ATOM 774 CD GLU A 53 2.270 -18.247 2.906 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.338 -19.216 2.117 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.740 -18.388 4.034 1.00 0.00 O ATOM 0 H GLU A 53 2.620 -15.062 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 53 4.399 -14.957 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.996 -17.208 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.409 -17.542 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.247 -16.365 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.810 -16.249 2.261 1.00 0.00 H new ATOM 783 N ASP A 54 5.394 -14.738 -1.064 1.00 0.00 N ATOM 784 CA ASP A 54 6.520 -14.694 -1.991 1.00 0.00 C ATOM 785 C ASP A 54 6.516 -13.349 -2.721 1.00 0.00 C ATOM 786 O ASP A 54 5.434 -12.861 -3.061 1.00 0.00 O ATOM 787 CB ASP A 54 6.340 -15.809 -3.030 1.00 0.00 C ATOM 788 CG ASP A 54 7.644 -16.133 -3.757 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.983 -15.403 -4.712 1.00 0.00 O ATOM 790 OD2 ASP A 54 8.325 -17.119 -3.399 1.00 0.00 O ATOM 0 H ASP A 54 4.612 -14.153 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 54 7.456 -14.822 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.968 -16.707 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.585 -15.508 -3.757 1.00 0.00 H new ATOM 795 N PRO A 55 7.682 -12.768 -3.032 1.00 0.00 N ATOM 796 CA PRO A 55 7.783 -11.522 -3.785 1.00 0.00 C ATOM 797 C PRO A 55 7.260 -11.648 -5.213 1.00 0.00 C ATOM 798 O PRO A 55 6.859 -10.633 -5.784 1.00 0.00 O ATOM 799 CB PRO A 55 9.266 -11.140 -3.780 1.00 0.00 C ATOM 800 CG PRO A 55 9.971 -12.443 -3.442 1.00 0.00 C ATOM 801 CD PRO A 55 8.987 -13.202 -2.585 1.00 0.00 C ATOM 0 HA PRO A 55 7.162 -10.756 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.583 -10.752 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.478 -10.367 -3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.224 -13.001 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.903 -12.261 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.107 -14.279 -2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.134 -12.982 -1.528 1.00 0.00 H new ATOM 809 N SER A 56 7.220 -12.853 -5.794 1.00 0.00 N ATOM 810 CA SER A 56 6.595 -13.082 -7.102 1.00 0.00 C ATOM 811 C SER A 56 5.093 -12.735 -7.097 1.00 0.00 C ATOM 812 O SER A 56 4.521 -12.433 -8.145 1.00 0.00 O ATOM 813 CB SER A 56 6.787 -14.539 -7.530 1.00 0.00 C ATOM 814 OG SER A 56 8.126 -14.818 -7.906 1.00 0.00 O ATOM 0 H SER A 56 7.618 -13.693 -5.373 1.00 0.00 H new ATOM 0 HA SER A 56 7.086 -12.420 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.497 -15.197 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.124 -14.760 -8.366 1.00 0.00 H new ATOM 0 HG SER A 56 8.202 -15.759 -8.170 1.00 0.00 H new ATOM 820 N ALA A 57 4.445 -12.759 -5.925 1.00 0.00 N ATOM 821 CA ALA A 57 3.005 -12.585 -5.783 1.00 0.00 C ATOM 822 C ALA A 57 2.566 -11.106 -5.820 1.00 0.00 C ATOM 823 O ALA A 57 1.390 -10.801 -5.598 1.00 0.00 O ATOM 824 CB ALA A 57 2.570 -13.295 -4.493 1.00 0.00 C ATOM 0 H ALA A 57 4.922 -12.903 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 57 2.504 -13.034 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.494 -13.181 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.817 -14.354 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.089 -12.854 -3.642 1.00 0.00 H new ATOM 830 N TYR A 58 3.504 -10.187 -6.072 1.00 0.00 N ATOM 831 CA TYR A 58 3.339 -8.737 -6.038 1.00 0.00 C ATOM 832 C TYR A 58 3.995 -8.107 -7.265 1.00 0.00 C ATOM 833 O TYR A 58 4.734 -8.773 -7.985 1.00 0.00 O ATOM 834 CB TYR A 58 3.975 -8.201 -4.744 1.00 0.00 C ATOM 835 CG TYR A 58 3.117 -8.466 -3.527 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.062 -7.588 -3.217 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.340 -9.608 -2.738 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.217 -7.855 -2.126 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.499 -9.880 -1.644 1.00 0.00 C ATOM 840 CZ TYR A 58 1.434 -9.005 -1.332 1.00 0.00 C ATOM 841 OH TYR A 58 0.649 -9.265 -0.250 1.00 0.00 O ATOM 0 H TYR A 58 4.456 -10.456 -6.320 1.00 0.00 H new ATOM 0 HA TYR A 58 2.280 -8.480 -6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.952 -8.663 -4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.141 -7.128 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.901 -6.706 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.156 -10.276 -2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.404 -7.183 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.668 -10.760 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 58 0.106 -8.476 -0.043 1.00 0.00 H new ATOM 851 N SER A 59 3.768 -6.815 -7.482 1.00 0.00 N ATOM 852 CA SER A 59 4.499 -5.981 -8.432 1.00 0.00 C ATOM 853 C SER A 59 5.122 -4.805 -7.685 1.00 0.00 C ATOM 854 O SER A 59 4.978 -4.728 -6.465 1.00 0.00 O ATOM 855 CB SER A 59 3.553 -5.496 -9.529 1.00 0.00 C ATOM 856 OG SER A 59 2.941 -6.583 -10.190 1.00 0.00 O ATOM 0 H SER A 59 3.043 -6.300 -6.983 1.00 0.00 H new ATOM 0 HA SER A 59 5.294 -6.559 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.788 -4.853 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.106 -4.893 -10.249 1.00 0.00 H new ATOM 0 HG SER A 59 2.054 -6.315 -10.509 1.00 0.00 H new ATOM 862 N ALA A 60 5.777 -3.888 -8.410 1.00 0.00 N ATOM 863 CA ALA A 60 6.351 -2.639 -7.900 1.00 0.00 C ATOM 864 C ALA A 60 7.147 -1.869 -8.959 1.00 0.00 C ATOM 865 O ALA A 60 7.460 -0.695 -8.763 1.00 0.00 O ATOM 866 CB ALA A 60 7.260 -2.941 -6.705 1.00 0.00 C ATOM 0 H ALA A 60 5.927 -4.003 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 60 5.516 -2.006 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.686 -2.011 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.678 -3.420 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.064 -3.607 -7.019 1.00 0.00 H new ATOM 872 N GLY A 61 7.512 -2.567 -10.034 1.00 0.00 N ATOM 873 CA GLY A 61 8.282 -2.115 -11.182 1.00 0.00 C ATOM 874 C GLY A 61 9.518 -1.350 -10.751 1.00 0.00 C ATOM 875 O GLY A 61 10.544 -1.948 -10.438 1.00 0.00 O ATOM 0 H GLY A 61 7.251 -3.549 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.576 -2.973 -11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.660 -1.479 -11.812 1.00 0.00 H new ATOM 879 N ASP A 62 9.441 -0.030 -10.736 1.00 0.00 N ATOM 880 CA ASP A 62 10.531 0.868 -10.406 1.00 0.00 C ATOM 881 C ASP A 62 9.989 2.093 -9.645 1.00 0.00 C ATOM 882 O ASP A 62 10.671 3.112 -9.508 1.00 0.00 O ATOM 883 CB ASP A 62 11.244 1.202 -11.721 1.00 0.00 C ATOM 884 CG ASP A 62 12.538 0.394 -11.870 1.00 0.00 C ATOM 885 OD1 ASP A 62 13.508 0.617 -11.107 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.586 -0.527 -12.723 1.00 0.00 O ATOM 0 H ASP A 62 8.579 0.465 -10.964 1.00 0.00 H new ATOM 0 HA ASP A 62 11.259 0.419 -9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.582 0.991 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.471 2.267 -11.754 1.00 0.00 H new ATOM 891 N GLY A 63 8.747 2.021 -9.146 1.00 0.00 N ATOM 892 CA GLY A 63 8.032 3.160 -8.592 1.00 0.00 C ATOM 893 C GLY A 63 7.233 2.873 -7.326 1.00 0.00 C ATOM 894 O GLY A 63 6.432 3.724 -6.958 1.00 0.00 O ATOM 0 H GLY A 63 8.211 1.154 -9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.751 3.950 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.352 3.546 -9.352 1.00 0.00 H new ATOM 898 N LEU A 64 7.428 1.740 -6.631 1.00 0.00 N ATOM 899 CA LEU A 64 6.504 1.258 -5.590 1.00 0.00 C ATOM 900 C LEU A 64 6.055 2.386 -4.660 1.00 0.00 C ATOM 901 O LEU A 64 4.861 2.565 -4.435 1.00 0.00 O ATOM 902 CB LEU A 64 7.182 0.142 -4.766 1.00 0.00 C ATOM 903 CG LEU A 64 6.262 -0.737 -3.887 1.00 0.00 C ATOM 904 CD1 LEU A 64 7.036 -1.941 -3.314 1.00 0.00 C ATOM 905 CD2 LEU A 64 5.658 0.013 -2.697 1.00 0.00 C ATOM 0 H LEU A 64 8.233 1.131 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 64 5.618 0.866 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.717 -0.511 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.929 0.604 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 64 5.458 -1.054 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.368 -2.544 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.423 -2.548 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.866 -1.583 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.024 -0.664 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.458 0.388 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.061 0.850 -3.059 1.00 0.00 H new ATOM 917 N ARG A 65 7.004 3.143 -4.107 1.00 0.00 N ATOM 918 CA ARG A 65 6.728 4.127 -3.062 1.00 0.00 C ATOM 919 C ARG A 65 6.307 5.502 -3.572 1.00 0.00 C ATOM 920 O ARG A 65 6.031 6.350 -2.726 1.00 0.00 O ATOM 921 CB ARG A 65 7.989 4.334 -2.211 1.00 0.00 C ATOM 922 CG ARG A 65 8.462 3.044 -1.556 1.00 0.00 C ATOM 923 CD ARG A 65 9.571 3.317 -0.539 1.00 0.00 C ATOM 924 NE ARG A 65 9.583 2.224 0.434 1.00 0.00 N ATOM 925 CZ ARG A 65 9.468 2.392 1.748 1.00 0.00 C ATOM 926 NH1 ARG A 65 9.826 3.530 2.339 1.00 0.00 N ATOM 927 NH2 ARG A 65 8.942 1.409 2.464 1.00 0.00 N ATOM 0 H ARG A 65 7.987 3.090 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 65 5.892 3.714 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.786 4.734 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.786 5.077 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.623 2.555 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.826 2.357 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.536 3.389 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.400 4.270 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 65 9.686 1.272 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.199 4.299 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.728 3.633 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.637 0.550 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.842 1.511 3.474 1.00 0.00 H new ATOM 941 N ASP A 66 6.365 5.751 -4.881 1.00 0.00 N ATOM 942 CA ASP A 66 6.566 7.098 -5.413 1.00 0.00 C ATOM 943 C ASP A 66 5.513 8.064 -4.876 1.00 0.00 C ATOM 944 O ASP A 66 4.313 7.849 -5.062 1.00 0.00 O ATOM 945 CB ASP A 66 6.662 7.110 -6.953 1.00 0.00 C ATOM 946 CG ASP A 66 8.064 7.523 -7.391 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.988 6.680 -7.274 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.261 8.721 -7.694 1.00 0.00 O ATOM 0 H ASP A 66 6.275 5.030 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 66 7.533 7.453 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.427 6.121 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.926 7.801 -7.365 1.00 0.00 H new ATOM 953 N GLY A 67 5.988 9.083 -4.152 1.00 0.00 N ATOM 954 CA GLY A 67 5.192 10.129 -3.530 1.00 0.00 C ATOM 955 C GLY A 67 5.093 10.022 -2.001 1.00 0.00 C ATOM 956 O GLY A 67 4.630 10.971 -1.361 1.00 0.00 O ATOM 0 H GLY A 67 6.987 9.200 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.620 11.098 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.187 10.103 -3.950 1.00 0.00 H new ATOM 960 N ALA A 68 5.556 8.923 -1.393 1.00 0.00 N ATOM 961 CA ALA A 68 5.414 8.620 0.037 1.00 0.00 C ATOM 962 C ALA A 68 6.742 8.297 0.745 1.00 0.00 C ATOM 963 O ALA A 68 7.839 8.381 0.179 1.00 0.00 O ATOM 964 CB ALA A 68 4.408 7.466 0.191 1.00 0.00 C ATOM 0 H ALA A 68 6.058 8.194 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 68 5.049 9.520 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.289 7.226 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.445 7.765 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.776 6.589 -0.341 1.00 0.00 H new ATOM 970 N ASP A 69 6.614 7.906 2.013 1.00 0.00 N ATOM 971 CA ASP A 69 7.564 7.310 2.936 1.00 0.00 C ATOM 972 C ASP A 69 6.691 6.469 3.862 1.00 0.00 C ATOM 973 O ASP A 69 5.794 7.006 4.496 1.00 0.00 O ATOM 974 CB ASP A 69 8.312 8.340 3.789 1.00 0.00 C ATOM 975 CG ASP A 69 8.895 7.635 5.023 1.00 0.00 C ATOM 976 OD1 ASP A 69 9.713 6.702 4.829 1.00 0.00 O ATOM 977 OD2 ASP A 69 8.486 7.979 6.155 1.00 0.00 O ATOM 0 H ASP A 69 5.711 8.019 2.474 1.00 0.00 H new ATOM 0 HA ASP A 69 8.329 6.759 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.109 8.803 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.636 9.138 4.095 1.00 0.00 H new ATOM 982 N PHE A 70 6.852 5.155 3.854 1.00 0.00 N ATOM 983 CA PHE A 70 6.169 4.232 4.764 1.00 0.00 C ATOM 984 C PHE A 70 7.074 3.022 5.063 1.00 0.00 C ATOM 985 O PHE A 70 8.210 2.952 4.586 1.00 0.00 O ATOM 986 CB PHE A 70 4.819 3.855 4.145 1.00 0.00 C ATOM 987 CG PHE A 70 4.909 3.079 2.849 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.050 1.678 2.836 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.851 3.782 1.628 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.071 0.993 1.608 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.835 3.092 0.403 1.00 0.00 C ATOM 992 CZ PHE A 70 4.933 1.694 0.397 1.00 0.00 C ATOM 0 H PHE A 70 7.476 4.683 3.200 1.00 0.00 H new ATOM 0 HA PHE A 70 5.969 4.698 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.256 3.264 4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.250 4.767 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.141 1.133 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.819 4.861 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.194 -0.080 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.748 3.635 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.903 1.155 -0.538 1.00 0.00 H new ATOM 1002 N LEU A 71 6.589 2.021 5.796 1.00 0.00 N ATOM 1003 CA LEU A 71 7.342 0.818 6.193 1.00 0.00 C ATOM 1004 C LEU A 71 6.561 -0.438 5.811 1.00 0.00 C ATOM 1005 O LEU A 71 5.341 -0.384 5.779 1.00 0.00 O ATOM 1006 CB LEU A 71 7.568 0.870 7.712 1.00 0.00 C ATOM 1007 CG LEU A 71 8.576 -0.140 8.281 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.995 0.172 7.798 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.559 -0.054 9.809 1.00 0.00 C ATOM 0 H LEU A 71 5.630 2.019 6.144 1.00 0.00 H new ATOM 0 HA LEU A 71 8.302 0.787 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.903 1.874 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.609 0.714 8.207 1.00 0.00 H new ATOM 0 HG LEU A 71 8.294 -1.137 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.690 -0.557 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.028 0.124 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.279 1.172 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.272 -0.768 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.834 0.954 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.559 -0.287 10.175 1.00 0.00 H new ATOM 1021 N ILE A 72 7.238 -1.535 5.482 1.00 0.00 N ATOM 1022 CA ILE A 72 6.686 -2.793 4.969 1.00 0.00 C ATOM 1023 C ILE A 72 6.856 -3.861 6.063 1.00 0.00 C ATOM 1024 O ILE A 72 7.927 -3.957 6.669 1.00 0.00 O ATOM 1025 CB ILE A 72 7.400 -3.174 3.646 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.400 -2.011 2.624 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.870 -4.431 2.923 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.728 -1.987 1.882 1.00 0.00 C ATOM 0 H ILE A 72 8.253 -1.575 5.571 1.00 0.00 H new ATOM 0 HA ILE A 72 5.625 -2.701 4.736 1.00 0.00 H new ATOM 0 HB ILE A 72 8.408 -3.403 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.579 -2.134 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.241 -1.062 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.446 -4.597 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.969 -5.297 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.820 -4.288 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.728 -1.168 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.540 -1.844 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.868 -2.932 1.357 1.00 0.00 H new ATOM 1040 N CYS A 73 5.824 -4.679 6.287 1.00 0.00 N ATOM 1041 CA CYS A 73 5.797 -5.838 7.179 1.00 0.00 C ATOM 1042 C CYS A 73 5.392 -7.112 6.410 1.00 0.00 C ATOM 1043 O CYS A 73 4.330 -7.149 5.782 1.00 0.00 O ATOM 1044 CB CYS A 73 4.829 -5.588 8.342 1.00 0.00 C ATOM 1045 SG CYS A 73 5.162 -3.997 9.143 1.00 0.00 S ATOM 0 H CYS A 73 4.928 -4.539 5.819 1.00 0.00 H new ATOM 0 HA CYS A 73 6.800 -5.986 7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.803 -5.605 7.974 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.919 -6.392 9.073 1.00 0.00 H new ATOM 0 HG CYS A 73 6.165 -4.124 9.960 1.00 0.00 H new ATOM 1051 N VAL A 74 6.220 -8.157 6.417 1.00 0.00 N ATOM 1052 CA VAL A 74 5.974 -9.439 5.734 1.00 0.00 C ATOM 1053 C VAL A 74 6.067 -10.545 6.793 1.00 0.00 C ATOM 1054 O VAL A 74 6.660 -10.296 7.842 1.00 0.00 O ATOM 1055 CB VAL A 74 6.970 -9.648 4.566 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.793 -8.594 3.464 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.429 -9.731 5.024 1.00 0.00 C ATOM 0 H VAL A 74 7.111 -8.139 6.913 1.00 0.00 H new ATOM 0 HA VAL A 74 4.984 -9.455 5.279 1.00 0.00 H new ATOM 0 HB VAL A 74 6.723 -10.621 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.511 -8.779 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.781 -8.653 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.961 -7.601 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.074 -9.878 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.705 -8.806 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.548 -10.569 5.711 1.00 0.00 H new ATOM 1067 N PRO A 75 5.492 -11.739 6.589 1.00 0.00 N ATOM 1068 CA PRO A 75 5.571 -12.787 7.595 1.00 0.00 C ATOM 1069 C PRO A 75 7.015 -13.278 7.649 1.00 0.00 C ATOM 1070 O PRO A 75 7.746 -13.208 6.654 1.00 0.00 O ATOM 1071 CB PRO A 75 4.628 -13.889 7.117 1.00 0.00 C ATOM 1072 CG PRO A 75 4.730 -13.747 5.603 1.00 0.00 C ATOM 1073 CD PRO A 75 4.846 -12.241 5.390 1.00 0.00 C ATOM 0 HA PRO A 75 5.288 -12.454 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.944 -14.875 7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.609 -13.740 7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.598 -14.276 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.853 -14.156 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.433 -12.013 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.866 -11.786 5.250 1.00 0.00 H new ATOM 1081 N GLU A 76 7.435 -13.804 8.795 1.00 0.00 N ATOM 1082 CA GLU A 76 8.816 -14.236 8.958 1.00 0.00 C ATOM 1083 C GLU A 76 9.190 -15.369 7.991 1.00 0.00 C ATOM 1084 O GLU A 76 10.325 -15.407 7.514 1.00 0.00 O ATOM 1085 CB GLU A 76 9.098 -14.588 10.415 1.00 0.00 C ATOM 1086 CG GLU A 76 8.418 -15.886 10.853 1.00 0.00 C ATOM 1087 CD GLU A 76 8.492 -15.985 12.364 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.597 -15.430 13.035 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.482 -16.563 12.875 1.00 0.00 O ATOM 0 H GLU A 76 6.845 -13.940 9.616 1.00 0.00 H new ATOM 0 HA GLU A 76 9.463 -13.400 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.174 -14.680 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.759 -13.772 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.379 -15.899 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.909 -16.744 10.393 1.00 0.00 H new ATOM 1096 N GLU A 77 8.241 -16.249 7.643 1.00 0.00 N ATOM 1097 CA GLU A 77 8.492 -17.368 6.734 1.00 0.00 C ATOM 1098 C GLU A 77 8.778 -16.853 5.315 1.00 0.00 C ATOM 1099 O GLU A 77 9.535 -17.483 4.573 1.00 0.00 O ATOM 1100 CB GLU A 77 7.323 -18.385 6.778 1.00 0.00 C ATOM 1101 CG GLU A 77 7.739 -19.825 7.156 1.00 0.00 C ATOM 1102 CD GLU A 77 7.696 -20.828 5.990 1.00 0.00 C ATOM 1103 OE1 GLU A 77 8.669 -20.969 5.219 1.00 0.00 O ATOM 1104 OE2 GLU A 77 6.695 -21.560 5.809 1.00 0.00 O ATOM 0 H GLU A 77 7.281 -16.203 7.985 1.00 0.00 H new ATOM 0 HA GLU A 77 9.383 -17.903 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.581 -18.035 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.839 -18.405 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.750 -19.803 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.084 -20.182 7.950 1.00 0.00 H new ATOM 1111 N ALA A 78 8.259 -15.678 4.939 1.00 0.00 N ATOM 1112 CA ALA A 78 8.571 -15.029 3.671 1.00 0.00 C ATOM 1113 C ALA A 78 9.746 -14.041 3.806 1.00 0.00 C ATOM 1114 O ALA A 78 10.159 -13.479 2.801 1.00 0.00 O ATOM 1115 CB ALA A 78 7.355 -14.256 3.151 1.00 0.00 C ATOM 0 H ALA A 78 7.604 -15.150 5.516 1.00 0.00 H new ATOM 0 HA ALA A 78 8.848 -15.820 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.606 -13.778 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.523 -14.944 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.070 -13.495 3.877 1.00 0.00 H new ATOM 1121 N LEU A 79 10.258 -13.736 5.003 1.00 0.00 N ATOM 1122 CA LEU A 79 11.092 -12.545 5.197 1.00 0.00 C ATOM 1123 C LEU A 79 12.370 -12.612 4.358 1.00 0.00 C ATOM 1124 O LEU A 79 12.607 -11.745 3.516 1.00 0.00 O ATOM 1125 CB LEU A 79 11.344 -12.311 6.696 1.00 0.00 C ATOM 1126 CG LEU A 79 12.144 -11.039 7.041 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.515 -9.766 6.473 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.177 -10.855 8.562 1.00 0.00 C ATOM 0 H LEU A 79 10.111 -14.292 5.846 1.00 0.00 H new ATOM 0 HA LEU A 79 10.556 -11.669 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.382 -12.264 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.876 -13.174 7.097 1.00 0.00 H new ATOM 0 HG LEU A 79 13.135 -11.178 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.124 -8.905 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.462 -9.840 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.510 -9.645 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.742 -9.956 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.159 -10.758 8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.653 -11.720 9.023 1.00 0.00 H new ATOM 1140 N ASP A 80 13.165 -13.670 4.518 1.00 0.00 N ATOM 1141 CA ASP A 80 14.351 -13.896 3.682 1.00 0.00 C ATOM 1142 C ASP A 80 13.948 -14.157 2.234 1.00 0.00 C ATOM 1143 O ASP A 80 14.660 -13.801 1.305 1.00 0.00 O ATOM 1144 CB ASP A 80 15.133 -15.103 4.190 1.00 0.00 C ATOM 1145 CG ASP A 80 16.560 -15.256 3.641 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.185 -14.289 3.146 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.084 -16.387 3.800 1.00 0.00 O ATOM 0 H ASP A 80 13.010 -14.390 5.223 1.00 0.00 H new ATOM 0 HA ASP A 80 14.970 -13.000 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.187 -15.046 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.572 -16.005 3.946 1.00 0.00 H new ATOM 1152 N ARG A 81 12.771 -14.739 2.018 1.00 0.00 N ATOM 1153 CA ARG A 81 12.183 -14.982 0.708 1.00 0.00 C ATOM 1154 C ARG A 81 11.979 -13.688 -0.093 1.00 0.00 C ATOM 1155 O ARG A 81 12.105 -13.737 -1.317 1.00 0.00 O ATOM 1156 CB ARG A 81 10.876 -15.752 0.917 1.00 0.00 C ATOM 1157 CG ARG A 81 10.473 -16.626 -0.260 1.00 0.00 C ATOM 1158 CD ARG A 81 9.248 -17.440 0.173 1.00 0.00 C ATOM 1159 NE ARG A 81 9.627 -18.513 1.103 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.817 -19.209 1.903 1.00 0.00 C ATOM 1161 NH1 ARG A 81 7.490 -19.176 1.771 1.00 0.00 N ATOM 1162 NH2 ARG A 81 9.404 -19.938 2.833 1.00 0.00 N ATOM 0 H ARG A 81 12.180 -15.066 2.782 1.00 0.00 H new ATOM 0 HA ARG A 81 12.867 -15.577 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.974 -16.378 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.076 -15.040 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.239 -16.013 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.292 -17.287 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.520 -16.782 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.764 -17.869 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 81 10.618 -18.752 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.064 -18.606 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.901 -19.721 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.421 -19.946 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.841 -20.493 3.477 1.00 0.00 H new ATOM 1176 N TYR A 82 11.713 -12.550 0.557 1.00 0.00 N ATOM 1177 CA TYR A 82 11.791 -11.229 -0.064 1.00 0.00 C ATOM 1178 C TYR A 82 13.253 -10.774 -0.178 1.00 0.00 C ATOM 1179 O TYR A 82 13.642 -10.248 -1.216 1.00 0.00 O ATOM 1180 CB TYR A 82 10.959 -10.193 0.717 1.00 0.00 C ATOM 1181 CG TYR A 82 9.459 -10.250 0.472 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.880 -9.512 -0.579 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.630 -11.032 1.299 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.491 -9.576 -0.813 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.251 -11.123 1.060 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.673 -10.396 -0.001 1.00 0.00 C ATOM 1187 OH TYR A 82 5.337 -10.487 -0.232 1.00 0.00 O ATOM 0 H TYR A 82 11.435 -12.523 1.538 1.00 0.00 H new ATOM 0 HA TYR A 82 11.371 -11.305 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.143 -10.332 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.315 -9.196 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.503 -8.894 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.063 -11.570 2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.051 -8.999 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.633 -11.749 1.687 1.00 0.00 H new ATOM 0 HH TYR A 82 5.127 -10.083 -1.100 1.00 0.00 H new ATOM 1197 N ARG A 83 14.097 -10.991 0.837 1.00 0.00 N ATOM 1198 CA ARG A 83 15.491 -10.519 0.825 1.00 0.00 C ATOM 1199 C ARG A 83 16.354 -11.196 -0.237 1.00 0.00 C ATOM 1200 O ARG A 83 17.307 -10.591 -0.733 1.00 0.00 O ATOM 1201 CB ARG A 83 16.153 -10.711 2.183 1.00 0.00 C ATOM 1202 CG ARG A 83 15.468 -9.871 3.270 1.00 0.00 C ATOM 1203 CD ARG A 83 16.470 -9.485 4.347 1.00 0.00 C ATOM 1204 NE ARG A 83 17.465 -8.539 3.821 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.657 -8.289 4.358 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.990 -8.809 5.534 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.520 -7.525 3.701 1.00 0.00 N ATOM 0 H ARG A 83 13.838 -11.495 1.685 1.00 0.00 H new ATOM 0 HA ARG A 83 15.428 -9.458 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.117 -11.765 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.205 -10.434 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.035 -8.974 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.647 -10.436 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.947 -9.037 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.972 -10.378 4.719 1.00 0.00 H new ATOM 0 HE ARG A 83 17.221 -8.030 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.330 -9.405 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.906 -8.612 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.268 -7.135 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.436 -7.327 4.104 1.00 0.00 H new ATOM 1221 N ARG A 84 16.033 -12.416 -0.639 1.00 0.00 N ATOM 1222 CA ARG A 84 16.693 -13.097 -1.741 1.00 0.00 C ATOM 1223 C ARG A 84 16.215 -12.578 -3.098 1.00 0.00 C ATOM 1224 O ARG A 84 16.742 -13.031 -4.112 1.00 0.00 O ATOM 1225 CB ARG A 84 16.514 -14.615 -1.583 1.00 0.00 C ATOM 1226 CG ARG A 84 15.056 -15.026 -1.790 1.00 0.00 C ATOM 1227 CD ARG A 84 14.831 -16.532 -1.674 1.00 0.00 C ATOM 1228 NE ARG A 84 13.807 -16.968 -2.647 1.00 0.00 N ATOM 1229 CZ ARG A 84 14.071 -17.320 -3.910 1.00 0.00 C ATOM 1230 NH1 ARG A 84 15.326 -17.566 -4.282 1.00 0.00 N ATOM 1231 NH2 ARG A 84 13.098 -17.426 -4.809 1.00 0.00 N ATOM 0 H ARG A 84 15.296 -12.969 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 84 17.761 -12.879 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.146 -15.135 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.843 -14.921 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.434 -14.515 -1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.727 -14.691 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.766 -17.062 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.513 -16.783 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 84 12.837 -17.003 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.084 -17.486 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.529 -17.835 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.132 -17.238 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.317 -17.696 -5.768 1.00 0.00 H new ATOM 1245 N ASP A 85 15.255 -11.656 -3.182 1.00 0.00 N ATOM 1246 CA ASP A 85 14.784 -11.172 -4.474 1.00 0.00 C ATOM 1247 C ASP A 85 15.754 -10.124 -4.958 1.00 0.00 C ATOM 1248 O ASP A 85 16.079 -9.205 -4.199 1.00 0.00 O ATOM 1249 CB ASP A 85 13.395 -10.538 -4.380 1.00 0.00 C ATOM 1250 CG ASP A 85 12.553 -10.918 -5.580 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.225 -12.120 -5.724 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.273 -9.998 -6.379 1.00 0.00 O ATOM 0 H ASP A 85 14.793 -11.234 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 85 14.720 -12.019 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.901 -10.865 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.488 -9.453 -4.323 1.00 0.00 H new ATOM 1257 N TYR A 86 16.207 -10.243 -6.202 1.00 0.00 N ATOM 1258 CA TYR A 86 17.125 -9.285 -6.780 1.00 0.00 C ATOM 1259 C TYR A 86 16.484 -7.905 -6.885 1.00 0.00 C ATOM 1260 O TYR A 86 17.173 -6.918 -6.644 1.00 0.00 O ATOM 1261 CB TYR A 86 17.589 -9.776 -8.142 1.00 0.00 C ATOM 1262 CG TYR A 86 18.714 -8.933 -8.709 1.00 0.00 C ATOM 1263 CD1 TYR A 86 20.047 -9.197 -8.344 1.00 0.00 C ATOM 1264 CD2 TYR A 86 18.421 -7.850 -9.559 1.00 0.00 C ATOM 1265 CE1 TYR A 86 21.091 -8.409 -8.859 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.457 -7.047 -10.064 1.00 0.00 C ATOM 1267 CZ TYR A 86 20.797 -7.333 -9.725 1.00 0.00 C ATOM 1268 OH TYR A 86 21.794 -6.620 -10.315 1.00 0.00 O ATOM 0 H TYR A 86 15.946 -11.004 -6.829 1.00 0.00 H new ATOM 0 HA TYR A 86 17.992 -9.192 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.921 -10.811 -8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.747 -9.767 -8.834 1.00 0.00 H new ATOM 0 HD1 TYR A 86 20.269 -10.008 -7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.396 -7.636 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.115 -8.626 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.229 -6.212 -10.710 1.00 0.00 H new ATOM 0 HH TYR A 86 21.405 -5.919 -10.878 1.00 0.00 H new ATOM 1278 N PHE A 87 15.191 -7.823 -7.221 1.00 0.00 N ATOM 1279 CA PHE A 87 14.480 -6.552 -7.264 1.00 0.00 C ATOM 1280 C PHE A 87 14.253 -6.022 -5.851 1.00 0.00 C ATOM 1281 O PHE A 87 14.749 -4.945 -5.524 1.00 0.00 O ATOM 1282 CB PHE A 87 13.156 -6.729 -8.006 1.00 0.00 C ATOM 1283 CG PHE A 87 12.210 -5.540 -8.002 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.629 -4.218 -7.731 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.858 -5.789 -8.282 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.697 -3.172 -7.716 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.928 -4.739 -8.296 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.349 -3.436 -7.994 1.00 0.00 C ATOM 0 H PHE A 87 14.618 -8.630 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 87 15.083 -5.819 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.378 -6.985 -9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.634 -7.582 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.671 -4.013 -7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.531 -6.797 -8.488 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.016 -2.165 -7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.894 -4.933 -8.538 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.630 -2.631 -7.976 1.00 0.00 H new ATOM 1298 N TRP A 88 13.510 -6.752 -5.002 1.00 0.00 N ATOM 1299 CA TRP A 88 13.147 -6.271 -3.664 1.00 0.00 C ATOM 1300 C TRP A 88 14.368 -5.939 -2.782 1.00 0.00 C ATOM 1301 O TRP A 88 14.195 -5.255 -1.769 1.00 0.00 O ATOM 1302 CB TRP A 88 12.145 -7.201 -2.955 1.00 0.00 C ATOM 1303 CG TRP A 88 10.718 -7.166 -3.443 1.00 0.00 C ATOM 1304 CD1 TRP A 88 10.176 -7.900 -4.446 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.614 -6.369 -2.911 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.816 -7.648 -4.531 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.415 -6.722 -3.595 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.507 -5.387 -1.905 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.172 -6.155 -3.270 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.269 -4.810 -1.564 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.100 -5.204 -2.237 1.00 0.00 C ATOM 0 H TRP A 88 13.149 -7.680 -5.223 1.00 0.00 H new ATOM 0 HA TRP A 88 12.633 -5.323 -3.823 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.509 -8.224 -3.045 1.00 0.00 H new ATOM 0 HB3 TRP A 88 12.147 -6.955 -1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.722 -8.579 -5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.191 -8.093 -5.203 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.397 -5.069 -1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.282 -6.446 -3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.218 -4.064 -0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.147 -4.777 -1.961 1.00 0.00 H new ATOM 1322 N GLN A 89 15.590 -6.280 -3.213 1.00 0.00 N ATOM 1323 CA GLN A 89 16.843 -5.729 -2.665 1.00 0.00 C ATOM 1324 C GLN A 89 16.755 -4.223 -2.448 1.00 0.00 C ATOM 1325 O GLN A 89 17.159 -3.719 -1.399 1.00 0.00 O ATOM 1326 CB GLN A 89 18.007 -5.861 -3.662 1.00 0.00 C ATOM 1327 CG GLN A 89 18.780 -7.173 -3.682 1.00 0.00 C ATOM 1328 CD GLN A 89 20.057 -6.999 -4.505 1.00 0.00 C ATOM 1329 OE1 GLN A 89 21.138 -6.817 -3.952 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.957 -6.989 -5.825 1.00 0.00 N ATOM 0 H GLN A 89 15.741 -6.955 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 89 17.002 -6.285 -1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.611 -5.690 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.715 -5.058 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 89 19.028 -7.477 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 89 18.164 -7.964 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.052 -7.142 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.785 -6.828 -6.398 1.00 0.00 H new ATOM 1339 N THR A 90 16.269 -3.496 -3.451 1.00 0.00 N ATOM 1340 CA THR A 90 16.267 -2.044 -3.463 1.00 0.00 C ATOM 1341 C THR A 90 15.437 -1.475 -2.291 1.00 0.00 C ATOM 1342 O THR A 90 15.653 -0.333 -1.871 1.00 0.00 O ATOM 1343 CB THR A 90 15.818 -1.615 -4.875 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.296 -0.333 -5.211 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.310 -1.705 -5.061 1.00 0.00 C ATOM 0 H THR A 90 15.860 -3.910 -4.289 1.00 0.00 H new ATOM 0 HA THR A 90 17.256 -1.621 -3.286 1.00 0.00 H new ATOM 0 HB THR A 90 16.267 -2.328 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.993 -0.097 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.049 -1.392 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.985 -2.734 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.815 -1.054 -4.340 1.00 0.00 H new ATOM 1353 N TYR A 91 14.567 -2.294 -1.681 1.00 0.00 N ATOM 1354 CA TYR A 91 13.659 -1.945 -0.597 1.00 0.00 C ATOM 1355 C TYR A 91 13.989 -2.634 0.730 1.00 0.00 C ATOM 1356 O TYR A 91 13.225 -2.482 1.686 1.00 0.00 O ATOM 1357 CB TYR A 91 12.229 -2.294 -1.038 1.00 0.00 C ATOM 1358 CG TYR A 91 11.705 -1.372 -2.112 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.522 -0.013 -1.796 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.416 -1.844 -3.408 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.053 0.877 -2.770 1.00 0.00 C ATOM 1362 CE2 TYR A 91 10.912 -0.956 -4.372 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.739 0.414 -4.060 1.00 0.00 C ATOM 1364 OH TYR A 91 10.228 1.298 -4.952 1.00 0.00 O ATOM 0 H TYR A 91 14.480 -3.273 -1.953 1.00 0.00 H new ATOM 0 HA TYR A 91 13.766 -0.877 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.207 -3.320 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.567 -2.250 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.744 0.344 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.581 -2.882 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.932 1.923 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.655 -1.320 -5.356 1.00 0.00 H new ATOM 0 HH TYR A 91 10.058 0.843 -5.803 1.00 0.00 H new ATOM 1374 N ALA A 92 15.095 -3.378 0.839 1.00 0.00 N ATOM 1375 CA ALA A 92 15.375 -4.197 2.014 1.00 0.00 C ATOM 1376 C ALA A 92 15.471 -3.345 3.284 1.00 0.00 C ATOM 1377 O ALA A 92 15.175 -3.853 4.371 1.00 0.00 O ATOM 1378 CB ALA A 92 16.635 -5.042 1.794 1.00 0.00 C ATOM 0 H ALA A 92 15.815 -3.427 0.118 1.00 0.00 H new ATOM 0 HA ALA A 92 14.538 -4.881 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.828 -5.646 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.489 -5.696 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.486 -4.386 1.610 1.00 0.00 H new ATOM 1384 N ALA A 93 15.806 -2.054 3.146 1.00 0.00 N ATOM 1385 CA ALA A 93 15.932 -1.138 4.266 1.00 0.00 C ATOM 1386 C ALA A 93 14.608 -0.809 4.970 1.00 0.00 C ATOM 1387 O ALA A 93 14.639 -0.276 6.082 1.00 0.00 O ATOM 1388 CB ALA A 93 16.630 0.151 3.831 1.00 0.00 C ATOM 0 H ALA A 93 15.997 -1.622 2.242 1.00 0.00 H new ATOM 0 HA ALA A 93 16.540 -1.664 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.715 0.824 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.625 -0.084 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.048 0.633 3.045 1.00 0.00 H new ATOM 1394 N TRP A 94 13.451 -1.121 4.380 1.00 0.00 N ATOM 1395 CA TRP A 94 12.135 -0.807 4.942 1.00 0.00 C ATOM 1396 C TRP A 94 11.280 -2.064 5.106 1.00 0.00 C ATOM 1397 O TRP A 94 10.063 -1.962 5.220 1.00 0.00 O ATOM 1398 CB TRP A 94 11.432 0.261 4.091 1.00 0.00 C ATOM 1399 CG TRP A 94 12.213 1.520 3.897 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.208 2.586 4.727 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.137 1.850 2.823 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.127 3.514 4.284 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.757 3.092 3.132 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.519 1.218 1.621 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.763 3.643 2.330 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.474 1.802 0.770 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.119 2.997 1.133 1.00 0.00 C ATOM 0 H TRP A 94 13.402 -1.607 3.484 1.00 0.00 H new ATOM 0 HA TRP A 94 12.278 -0.396 5.942 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.206 -0.164 3.113 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.479 0.509 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.582 2.694 5.601 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.317 4.401 4.750 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.072 0.273 1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.260 4.554 2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.714 1.328 -0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.884 3.417 0.496 1.00 0.00 H new ATOM 1418 N ILE A 95 11.899 -3.243 5.074 1.00 0.00 N ATOM 1419 CA ILE A 95 11.248 -4.540 5.192 1.00 0.00 C ATOM 1420 C ILE A 95 11.519 -5.049 6.611 1.00 0.00 C ATOM 1421 O ILE A 95 12.678 -5.159 7.024 1.00 0.00 O ATOM 1422 CB ILE A 95 11.761 -5.441 4.037 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.078 -4.998 2.724 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.595 -6.955 4.252 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.602 -5.717 1.477 1.00 0.00 C ATOM 0 H ILE A 95 12.910 -3.320 4.960 1.00 0.00 H new ATOM 0 HA ILE A 95 10.164 -4.515 5.077 1.00 0.00 H new ATOM 0 HB ILE A 95 12.841 -5.298 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.005 -5.172 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.218 -3.924 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.985 -7.490 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.144 -7.258 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.538 -7.191 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.073 -5.351 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.669 -5.523 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.437 -6.790 1.579 1.00 0.00 H new ATOM 1437 N GLN A 96 10.452 -5.341 7.359 1.00 0.00 N ATOM 1438 CA GLN A 96 10.460 -5.964 8.684 1.00 0.00 C ATOM 1439 C GLN A 96 9.483 -7.155 8.738 1.00 0.00 C ATOM 1440 O GLN A 96 8.697 -7.331 7.798 1.00 0.00 O ATOM 1441 CB GLN A 96 10.183 -4.931 9.792 1.00 0.00 C ATOM 1442 CG GLN A 96 9.032 -3.948 9.573 1.00 0.00 C ATOM 1443 CD GLN A 96 8.599 -3.317 10.898 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.418 -3.317 11.231 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.526 -2.801 11.691 1.00 0.00 N ATOM 0 H GLN A 96 9.506 -5.137 7.037 1.00 0.00 H new ATOM 0 HA GLN A 96 11.459 -6.359 8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.989 -5.474 10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.094 -4.353 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.341 -3.168 8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.187 -4.465 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.504 -2.807 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.261 -2.398 12.590 1.00 0.00 H new ATOM 1454 N PRO A 97 9.562 -8.017 9.771 1.00 0.00 N ATOM 1455 CA PRO A 97 8.554 -9.042 10.041 1.00 0.00 C ATOM 1456 C PRO A 97 7.185 -8.427 10.395 1.00 0.00 C ATOM 1457 O PRO A 97 7.049 -7.208 10.521 1.00 0.00 O ATOM 1458 CB PRO A 97 9.114 -9.900 11.185 1.00 0.00 C ATOM 1459 CG PRO A 97 10.063 -8.948 11.903 1.00 0.00 C ATOM 1460 CD PRO A 97 10.613 -8.087 10.776 1.00 0.00 C ATOM 0 HA PRO A 97 8.368 -9.649 9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.323 -10.255 11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.635 -10.781 10.810 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.543 -8.349 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.856 -9.486 12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.873 -7.092 11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.521 -8.523 10.360 1.00 0.00 H new ATOM 1468 N MET A 98 6.172 -9.283 10.540 1.00 0.00 N ATOM 1469 CA MET A 98 4.848 -8.958 11.070 1.00 0.00 C ATOM 1470 C MET A 98 4.742 -9.289 12.558 1.00 0.00 C ATOM 1471 O MET A 98 5.610 -9.949 13.129 1.00 0.00 O ATOM 1472 CB MET A 98 3.772 -9.756 10.320 1.00 0.00 C ATOM 1473 CG MET A 98 3.503 -9.196 8.931 1.00 0.00 C ATOM 1474 SD MET A 98 1.826 -9.558 8.377 1.00 0.00 S ATOM 1475 CE MET A 98 2.157 -10.651 6.981 1.00 0.00 C ATOM 0 H MET A 98 6.257 -10.265 10.279 1.00 0.00 H new ATOM 0 HA MET A 98 4.697 -7.887 10.933 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.087 -10.796 10.236 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.848 -9.748 10.898 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.659 -8.117 8.937 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.218 -9.617 8.224 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.223 -10.876 6.466 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.843 -10.161 6.290 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.605 -11.577 7.342 1.00 0.00 H new ATOM 1485 N GLU A 99 3.642 -8.854 13.183 1.00 0.00 N ATOM 1486 CA GLU A 99 3.177 -9.350 14.469 1.00 0.00 C ATOM 1487 C GLU A 99 2.206 -10.519 14.268 1.00 0.00 C ATOM 1488 O GLU A 99 1.769 -10.793 13.143 1.00 0.00 O ATOM 1489 CB GLU A 99 2.479 -8.222 15.251 1.00 0.00 C ATOM 1490 CG GLU A 99 3.362 -7.002 15.528 1.00 0.00 C ATOM 1491 CD GLU A 99 2.732 -6.148 16.628 1.00 0.00 C ATOM 1492 OE1 GLU A 99 1.813 -5.342 16.355 1.00 0.00 O ATOM 1493 OE2 GLU A 99 3.128 -6.311 17.808 1.00 0.00 O ATOM 0 H GLU A 99 3.040 -8.129 12.793 1.00 0.00 H new ATOM 0 HA GLU A 99 4.038 -9.699 15.039 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.600 -7.900 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.124 -8.621 16.201 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.359 -7.324 15.830 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.479 -6.412 14.619 1.00 0.00 H new ATOM 1500 N GLN A 100 1.788 -11.121 15.388 1.00 0.00 N ATOM 1501 CA GLN A 100 1.205 -12.445 15.581 1.00 0.00 C ATOM 1502 C GLN A 100 2.324 -13.479 15.460 1.00 0.00 C ATOM 1503 O GLN A 100 3.413 -13.206 16.010 1.00 0.00 O ATOM 1504 CB GLN A 100 -0.062 -12.674 14.713 1.00 0.00 C ATOM 1505 CG GLN A 100 -1.009 -13.719 15.336 1.00 0.00 C ATOM 1506 CD GLN A 100 -2.333 -13.856 14.579 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -2.381 -14.280 13.427 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -3.460 -13.489 15.175 1.00 0.00 N ATOM 0 H GLN A 100 1.861 -10.632 16.280 1.00 0.00 H new ATOM 0 HA GLN A 100 0.794 -12.553 16.585 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.594 -11.730 14.592 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.235 -13.003 13.717 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.508 -14.687 15.358 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.215 -13.443 16.370 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.439 -13.135 16.131 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.347 -13.561 14.677 1.00 0.00 H new TER 1517 GLN A 100