USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 531 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 55 GLN : amide:sc= -0.151 K(o=-1.1,f=-3.6) USER MOD Set 1.2: A 59 TYR OH : rot 56:sc= -0.984 USER MOD Set 2.1: A 24 TYR OH : rot 2:sc= -0.0885 USER MOD Set 2.2: A 60 GLN :FLIP amide:sc= -0.0893 F(o=-1.3,f=-0.18) USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 SER OG : rot 110:sc= 0.197 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.19) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0495 (180deg=-0.408) USER MOD Single : A 16 HIS : no HE2:sc= -0.266 X(o=-0.27,f=-0.054) USER MOD Single : A 17 MET CE :methyl -115:sc= -1.15 (180deg=-4.45!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.712) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 139:sc= -1.49 (180deg=-3.89!) USER MOD Single : A 27 ASN : amide:sc= -1.32 K(o=-1.3,f=-8.7!) USER MOD Single : A 28 MET CE :methyl -141:sc= -0.0121 (180deg=-0.326) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.141 F(o=-2.4,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0716 (180deg=-0.394) USER MOD Single : A 39 SER OG : rot 91:sc= 0.608 USER MOD Single : A 46 GLN : amide:sc= -1.93! X(o=-1.9!,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.612) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0281 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.100 -9.496 20.899 1.00 0.00 N ATOM 2 CA GLY A 1 0.936 -9.897 21.833 1.00 0.00 C ATOM 3 C GLY A 1 0.375 -10.317 23.176 1.00 0.00 C ATOM 4 O GLY A 1 0.515 -9.601 24.167 1.00 0.00 O ATOM 0 H1 GLY A 1 0.335 -9.218 19.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.750 -10.292 20.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.628 -8.690 21.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.506 -10.723 21.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.632 -9.070 21.976 1.00 0.00 H new ATOM 8 N SER A 2 -0.264 -11.482 23.210 1.00 0.00 N ATOM 9 CA SER A 2 -0.854 -11.995 24.441 1.00 0.00 C ATOM 10 C SER A 2 -0.611 -13.495 24.576 1.00 0.00 C ATOM 11 O SER A 2 -0.205 -14.158 23.622 1.00 0.00 O ATOM 12 CB SER A 2 -2.356 -11.705 24.472 1.00 0.00 C ATOM 13 OG SER A 2 -2.858 -11.757 25.796 1.00 0.00 O ATOM 0 H SER A 2 -0.386 -12.089 22.399 1.00 0.00 H new ATOM 0 HA SER A 2 -0.377 -11.490 25.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.548 -10.721 24.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.882 -12.430 23.851 1.00 0.00 H new ATOM 0 HG SER A 2 -3.819 -11.567 25.789 1.00 0.00 H new ATOM 19 N SER A 3 -0.863 -14.024 25.770 1.00 0.00 N ATOM 20 CA SER A 3 -0.668 -15.445 26.032 1.00 0.00 C ATOM 21 C SER A 3 -1.691 -16.283 25.271 1.00 0.00 C ATOM 22 O SER A 3 -2.877 -15.959 25.241 1.00 0.00 O ATOM 23 CB SER A 3 -0.776 -15.728 27.532 1.00 0.00 C ATOM 24 OG SER A 3 0.019 -16.842 27.900 1.00 0.00 O ATOM 0 H SER A 3 -1.202 -13.490 26.570 1.00 0.00 H new ATOM 0 HA SER A 3 0.329 -15.719 25.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.459 -14.850 28.095 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.817 -15.917 27.795 1.00 0.00 H new ATOM 0 HG SER A 3 -0.066 -17.001 28.863 1.00 0.00 H new ATOM 30 N GLY A 4 -1.220 -17.364 24.655 1.00 0.00 N ATOM 31 CA GLY A 4 -2.105 -18.233 23.901 1.00 0.00 C ATOM 32 C GLY A 4 -2.606 -17.584 22.626 1.00 0.00 C ATOM 33 O GLY A 4 -1.883 -17.513 21.633 1.00 0.00 O ATOM 0 H GLY A 4 -0.242 -17.653 24.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.579 -19.155 23.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.956 -18.508 24.524 1.00 0.00 H new ATOM 37 N SER A 5 -3.848 -17.112 22.653 1.00 0.00 N ATOM 38 CA SER A 5 -4.448 -16.471 21.489 1.00 0.00 C ATOM 39 C SER A 5 -4.479 -14.955 21.659 1.00 0.00 C ATOM 40 O SER A 5 -4.527 -14.446 22.779 1.00 0.00 O ATOM 41 CB SER A 5 -5.865 -17.000 21.262 1.00 0.00 C ATOM 42 OG SER A 5 -6.784 -16.395 22.155 1.00 0.00 O ATOM 0 H SER A 5 -4.459 -17.161 23.469 1.00 0.00 H new ATOM 0 HA SER A 5 -3.836 -16.709 20.619 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.169 -16.804 20.234 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.879 -18.081 21.398 1.00 0.00 H new ATOM 0 HG SER A 5 -7.683 -16.749 21.989 1.00 0.00 H new ATOM 48 N SER A 6 -4.452 -14.239 20.539 1.00 0.00 N ATOM 49 CA SER A 6 -4.474 -12.781 20.563 1.00 0.00 C ATOM 50 C SER A 6 -5.494 -12.237 19.568 1.00 0.00 C ATOM 51 O SER A 6 -5.805 -12.879 18.566 1.00 0.00 O ATOM 52 CB SER A 6 -3.085 -12.224 20.244 1.00 0.00 C ATOM 53 OG SER A 6 -2.204 -12.390 21.341 1.00 0.00 O ATOM 0 H SER A 6 -4.415 -14.645 19.604 1.00 0.00 H new ATOM 0 HA SER A 6 -4.764 -12.462 21.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.679 -12.730 19.368 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.163 -11.166 19.993 1.00 0.00 H new ATOM 0 HG SER A 6 -1.530 -13.067 21.120 1.00 0.00 H new ATOM 59 N GLY A 7 -6.012 -11.046 19.853 1.00 0.00 N ATOM 60 CA GLY A 7 -6.992 -10.434 18.975 1.00 0.00 C ATOM 61 C GLY A 7 -8.409 -10.865 19.297 1.00 0.00 C ATOM 62 O GLY A 7 -8.970 -11.730 18.625 1.00 0.00 O ATOM 0 H GLY A 7 -5.770 -10.494 20.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.919 -9.349 19.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.762 -10.695 17.942 1.00 0.00 H new ATOM 66 N SER A 8 -8.989 -10.262 20.330 1.00 0.00 N ATOM 67 CA SER A 8 -10.348 -10.592 20.744 1.00 0.00 C ATOM 68 C SER A 8 -11.245 -10.818 19.531 1.00 0.00 C ATOM 69 O SER A 8 -11.817 -11.892 19.341 1.00 0.00 O ATOM 70 CB SER A 8 -10.923 -9.476 21.617 1.00 0.00 C ATOM 71 OG SER A 8 -10.713 -9.745 22.993 1.00 0.00 O ATOM 0 H SER A 8 -8.539 -9.542 20.896 1.00 0.00 H new ATOM 0 HA SER A 8 -10.311 -11.514 21.324 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.456 -8.527 21.353 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.990 -9.371 21.422 1.00 0.00 H new ATOM 0 HG SER A 8 -11.088 -9.016 23.530 1.00 0.00 H new ATOM 77 N PRO A 9 -11.373 -9.782 18.689 1.00 0.00 N ATOM 78 CA PRO A 9 -12.199 -9.842 17.480 1.00 0.00 C ATOM 79 C PRO A 9 -11.604 -10.758 16.416 1.00 0.00 C ATOM 80 O PRO A 9 -10.524 -10.493 15.889 1.00 0.00 O ATOM 81 CB PRO A 9 -12.215 -8.392 16.989 1.00 0.00 C ATOM 82 CG PRO A 9 -10.963 -7.795 17.533 1.00 0.00 C ATOM 83 CD PRO A 9 -10.721 -8.472 18.853 1.00 0.00 C ATOM 0 HA PRO A 9 -13.190 -10.249 17.683 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.237 -8.343 15.900 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.096 -7.861 17.350 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.127 -7.956 16.853 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.068 -6.718 17.660 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.656 -8.576 19.062 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.154 -7.908 19.679 1.00 0.00 H new ATOM 91 N ILE A 10 -12.316 -11.837 16.106 1.00 0.00 N ATOM 92 CA ILE A 10 -11.858 -12.791 15.104 1.00 0.00 C ATOM 93 C ILE A 10 -12.319 -12.386 13.708 1.00 0.00 C ATOM 94 O ILE A 10 -13.459 -11.966 13.518 1.00 0.00 O ATOM 95 CB ILE A 10 -12.365 -14.213 15.408 1.00 0.00 C ATOM 96 CG1 ILE A 10 -11.787 -14.711 16.734 1.00 0.00 C ATOM 97 CG2 ILE A 10 -11.997 -15.160 14.275 1.00 0.00 C ATOM 98 CD1 ILE A 10 -12.655 -14.389 17.930 1.00 0.00 C ATOM 0 H ILE A 10 -13.211 -12.072 16.534 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.769 -12.787 15.139 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.451 -14.185 15.494 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.646 -15.790 16.677 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.802 -14.269 16.881 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.362 -16.161 14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.452 -14.812 13.348 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.913 -15.186 14.160 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.184 -14.772 18.835 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.775 -13.309 18.012 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.633 -14.854 17.806 1.00 0.00 H new ATOM 110 N ASN A 11 -11.425 -12.519 12.733 1.00 0.00 N ATOM 111 CA ASN A 11 -11.740 -12.168 11.353 1.00 0.00 C ATOM 112 C ASN A 11 -11.809 -13.415 10.477 1.00 0.00 C ATOM 113 O ASN A 11 -10.892 -14.236 10.450 1.00 0.00 O ATOM 114 CB ASN A 11 -10.694 -11.198 10.800 1.00 0.00 C ATOM 115 CG ASN A 11 -10.077 -10.334 11.882 1.00 0.00 C ATOM 116 OD1 ASN A 11 -10.784 -9.731 12.689 1.00 0.00 O ATOM 117 ND2 ASN A 11 -8.751 -10.270 11.903 1.00 0.00 N ATOM 0 H ASN A 11 -10.477 -12.867 12.873 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.716 -11.683 11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.908 -11.763 10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.157 -10.559 10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.279 -9.704 12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.204 -10.787 11.214 1.00 0.00 H new ATOM 124 N PRO A 12 -12.921 -13.562 9.742 1.00 0.00 N ATOM 125 CA PRO A 12 -13.136 -14.705 8.851 1.00 0.00 C ATOM 126 C PRO A 12 -12.219 -14.671 7.633 1.00 0.00 C ATOM 127 O PRO A 12 -11.515 -15.640 7.346 1.00 0.00 O ATOM 128 CB PRO A 12 -14.598 -14.552 8.423 1.00 0.00 C ATOM 129 CG PRO A 12 -14.883 -13.097 8.563 1.00 0.00 C ATOM 130 CD PRO A 12 -14.055 -12.622 9.725 1.00 0.00 C ATOM 0 HA PRO A 12 -12.919 -15.652 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.747 -14.888 7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.259 -15.147 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.622 -12.559 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.944 -12.923 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.722 -11.593 9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.617 -12.653 10.658 1.00 0.00 H new ATOM 138 N TYR A 13 -12.230 -13.549 6.921 1.00 0.00 N ATOM 139 CA TYR A 13 -11.401 -13.390 5.733 1.00 0.00 C ATOM 140 C TYR A 13 -10.402 -12.251 5.914 1.00 0.00 C ATOM 141 O TYR A 13 -9.256 -12.337 5.472 1.00 0.00 O ATOM 142 CB TYR A 13 -12.275 -13.126 4.506 1.00 0.00 C ATOM 143 CG TYR A 13 -12.889 -11.744 4.486 1.00 0.00 C ATOM 144 CD1 TYR A 13 -14.102 -11.492 5.116 1.00 0.00 C ATOM 145 CD2 TYR A 13 -12.256 -10.691 3.838 1.00 0.00 C ATOM 146 CE1 TYR A 13 -14.667 -10.232 5.100 1.00 0.00 C ATOM 147 CE2 TYR A 13 -12.813 -9.426 3.818 1.00 0.00 C ATOM 148 CZ TYR A 13 -14.018 -9.202 4.450 1.00 0.00 C ATOM 149 OH TYR A 13 -14.577 -7.945 4.433 1.00 0.00 O ATOM 0 H TYR A 13 -12.804 -12.737 7.146 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.846 -14.316 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.674 -13.261 3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.072 -13.869 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.612 -12.296 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.313 -10.864 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.611 -10.054 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.307 -8.618 3.310 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.994 -7.334 3.935 1.00 0.00 H new ATOM 159 N LYS A 14 -10.846 -11.183 6.569 1.00 0.00 N ATOM 160 CA LYS A 14 -9.993 -10.026 6.813 1.00 0.00 C ATOM 161 C LYS A 14 -8.672 -10.447 7.449 1.00 0.00 C ATOM 162 O LYS A 14 -7.680 -9.722 7.380 1.00 0.00 O ATOM 163 CB LYS A 14 -10.709 -9.020 7.717 1.00 0.00 C ATOM 164 CG LYS A 14 -11.497 -7.970 6.954 1.00 0.00 C ATOM 165 CD LYS A 14 -10.579 -6.958 6.289 1.00 0.00 C ATOM 166 CE LYS A 14 -10.026 -5.961 7.295 1.00 0.00 C ATOM 167 NZ LYS A 14 -11.095 -5.090 7.858 1.00 0.00 N ATOM 0 H LYS A 14 -11.792 -11.095 6.940 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.780 -9.555 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.385 -9.558 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.972 -8.522 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.114 -8.455 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.174 -7.455 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.755 -7.478 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.126 -6.426 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.531 -6.498 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.269 -5.342 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.666 -4.239 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.751 -4.812 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.615 -5.610 8.593 1.00 0.00 H new ATOM 181 N ASP A 15 -8.667 -11.623 8.066 1.00 0.00 N ATOM 182 CA ASP A 15 -7.468 -12.142 8.713 1.00 0.00 C ATOM 183 C ASP A 15 -6.341 -12.327 7.700 1.00 0.00 C ATOM 184 O ASP A 15 -5.221 -11.860 7.910 1.00 0.00 O ATOM 185 CB ASP A 15 -7.770 -13.472 9.405 1.00 0.00 C ATOM 186 CG ASP A 15 -7.898 -14.620 8.424 1.00 0.00 C ATOM 187 OD1 ASP A 15 -8.985 -14.772 7.828 1.00 0.00 O ATOM 188 OD2 ASP A 15 -6.913 -15.368 8.252 1.00 0.00 O ATOM 0 H ASP A 15 -9.480 -12.235 8.132 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.146 -11.417 9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.977 -13.695 10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.695 -13.380 9.974 1.00 0.00 H new ATOM 193 N HIS A 16 -6.646 -13.010 6.602 1.00 0.00 N ATOM 194 CA HIS A 16 -5.659 -13.257 5.557 1.00 0.00 C ATOM 195 C HIS A 16 -4.944 -11.966 5.169 1.00 0.00 C ATOM 196 O HIS A 16 -3.746 -11.969 4.890 1.00 0.00 O ATOM 197 CB HIS A 16 -6.330 -13.871 4.327 1.00 0.00 C ATOM 198 CG HIS A 16 -6.500 -15.357 4.417 1.00 0.00 C ATOM 199 ND1 HIS A 16 -7.497 -15.957 5.156 1.00 0.00 N ATOM 200 CD2 HIS A 16 -5.793 -16.364 3.854 1.00 0.00 C ATOM 201 CE1 HIS A 16 -7.395 -17.269 5.046 1.00 0.00 C ATOM 202 NE2 HIS A 16 -6.369 -17.543 4.260 1.00 0.00 N ATOM 0 H HIS A 16 -7.568 -13.402 6.413 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.921 -13.958 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.308 -13.409 4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.737 -13.634 3.444 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -8.203 -15.464 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.935 -16.260 3.206 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.041 -17.995 5.518 1.00 0.00 H new ATOM 211 N MET A 17 -5.688 -10.865 5.153 1.00 0.00 N ATOM 212 CA MET A 17 -5.125 -9.567 4.800 1.00 0.00 C ATOM 213 C MET A 17 -4.258 -9.025 5.931 1.00 0.00 C ATOM 214 O MET A 17 -3.108 -8.642 5.716 1.00 0.00 O ATOM 215 CB MET A 17 -6.242 -8.573 4.476 1.00 0.00 C ATOM 216 CG MET A 17 -6.662 -8.586 3.015 1.00 0.00 C ATOM 217 SD MET A 17 -6.766 -10.253 2.336 1.00 0.00 S ATOM 218 CE MET A 17 -5.206 -10.361 1.462 1.00 0.00 C ATOM 0 H MET A 17 -6.682 -10.846 5.380 1.00 0.00 H new ATOM 0 HA MET A 17 -4.499 -9.699 3.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.109 -8.798 5.097 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.912 -7.569 4.742 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.631 -8.096 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.949 -8.004 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.394 -10.449 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.618 -9.464 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.656 -11.236 1.807 1.00 0.00 H new ATOM 228 N SER A 18 -4.817 -8.995 7.137 1.00 0.00 N ATOM 229 CA SER A 18 -4.096 -8.495 8.302 1.00 0.00 C ATOM 230 C SER A 18 -2.703 -9.112 8.384 1.00 0.00 C ATOM 231 O SER A 18 -1.695 -8.405 8.350 1.00 0.00 O ATOM 232 CB SER A 18 -4.877 -8.800 9.581 1.00 0.00 C ATOM 233 OG SER A 18 -5.948 -7.888 9.755 1.00 0.00 O ATOM 0 H SER A 18 -5.767 -9.311 7.333 1.00 0.00 H new ATOM 0 HA SER A 18 -3.991 -7.415 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.265 -9.818 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.208 -8.748 10.440 1.00 0.00 H new ATOM 0 HG SER A 18 -6.432 -8.106 10.579 1.00 0.00 H new ATOM 239 N VAL A 19 -2.654 -10.436 8.492 1.00 0.00 N ATOM 240 CA VAL A 19 -1.385 -11.149 8.577 1.00 0.00 C ATOM 241 C VAL A 19 -0.373 -10.592 7.584 1.00 0.00 C ATOM 242 O VAL A 19 0.761 -10.276 7.947 1.00 0.00 O ATOM 243 CB VAL A 19 -1.570 -12.656 8.315 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.458 -12.882 7.101 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.220 -13.333 8.132 1.00 0.00 C ATOM 0 H VAL A 19 -3.478 -11.036 8.523 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.010 -11.007 9.590 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.060 -13.101 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.577 -13.952 6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.435 -12.431 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.999 -12.425 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.369 -14.397 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.299 -12.887 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.378 -13.201 9.033 1.00 0.00 H new ATOM 255 N LEU A 20 -0.789 -10.473 6.328 1.00 0.00 N ATOM 256 CA LEU A 20 0.082 -9.952 5.279 1.00 0.00 C ATOM 257 C LEU A 20 0.617 -8.573 5.651 1.00 0.00 C ATOM 258 O LEU A 20 1.764 -8.239 5.353 1.00 0.00 O ATOM 259 CB LEU A 20 -0.674 -9.877 3.952 1.00 0.00 C ATOM 260 CG LEU A 20 -1.057 -11.216 3.321 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.719 -11.000 1.969 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.168 -12.109 3.180 1.00 0.00 C ATOM 0 H LEU A 20 -1.724 -10.730 6.011 1.00 0.00 H new ATOM 0 HA LEU A 20 0.927 -10.632 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.584 -9.298 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.062 -9.324 3.239 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.772 -11.713 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.984 -11.964 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.620 -10.399 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.028 -10.481 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.123 -13.058 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.906 -11.617 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.600 -12.292 4.164 1.00 0.00 H new ATOM 274 N LYS A 21 -0.220 -7.776 6.306 1.00 0.00 N ATOM 275 CA LYS A 21 0.169 -6.434 6.723 1.00 0.00 C ATOM 276 C LYS A 21 1.168 -6.489 7.874 1.00 0.00 C ATOM 277 O LYS A 21 1.880 -5.521 8.137 1.00 0.00 O ATOM 278 CB LYS A 21 -1.065 -5.630 7.142 1.00 0.00 C ATOM 279 CG LYS A 21 -1.711 -4.868 5.998 1.00 0.00 C ATOM 280 CD LYS A 21 -2.518 -5.790 5.099 1.00 0.00 C ATOM 281 CE LYS A 21 -3.407 -5.004 4.148 1.00 0.00 C ATOM 282 NZ LYS A 21 -4.118 -5.895 3.189 1.00 0.00 N ATOM 0 H LYS A 21 -1.173 -8.036 6.560 1.00 0.00 H new ATOM 0 HA LYS A 21 0.646 -5.942 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.800 -6.308 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.781 -4.925 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.360 -4.090 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.940 -4.369 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.842 -6.424 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.132 -6.450 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.136 -4.432 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.802 -4.285 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.089 -5.475 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.655 -6.826 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.108 -6.007 3.488 1.00 0.00 H new ATOM 296 N ALA A 22 1.215 -7.629 8.556 1.00 0.00 N ATOM 297 CA ALA A 22 2.129 -7.812 9.677 1.00 0.00 C ATOM 298 C ALA A 22 3.537 -8.133 9.189 1.00 0.00 C ATOM 299 O ALA A 22 4.524 -7.790 9.842 1.00 0.00 O ATOM 300 CB ALA A 22 1.622 -8.913 10.597 1.00 0.00 C ATOM 0 H ALA A 22 0.631 -8.440 8.352 1.00 0.00 H new ATOM 0 HA ALA A 22 2.171 -6.878 10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.314 -9.039 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.638 -8.642 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.550 -9.848 10.041 1.00 0.00 H new ATOM 306 N TYR A 23 3.624 -8.793 8.040 1.00 0.00 N ATOM 307 CA TYR A 23 4.913 -9.164 7.467 1.00 0.00 C ATOM 308 C TYR A 23 5.616 -7.946 6.875 1.00 0.00 C ATOM 309 O TYR A 23 6.824 -7.772 7.038 1.00 0.00 O ATOM 310 CB TYR A 23 4.727 -10.233 6.389 1.00 0.00 C ATOM 311 CG TYR A 23 4.496 -11.620 6.946 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.418 -12.208 7.803 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.357 -12.343 6.614 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.212 -13.475 8.314 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.141 -13.610 7.121 1.00 0.00 C ATOM 316 CZ TYR A 23 4.072 -14.172 7.970 1.00 0.00 C ATOM 317 OH TYR A 23 3.862 -15.434 8.476 1.00 0.00 O ATOM 0 H TYR A 23 2.818 -9.082 7.487 1.00 0.00 H new ATOM 0 HA TYR A 23 5.535 -9.568 8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.881 -9.958 5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.609 -10.250 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.311 -11.665 8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.627 -11.907 5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.939 -13.917 8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.249 -14.157 6.854 1.00 0.00 H new ATOM 0 HH TYR A 23 3.012 -15.785 8.137 1.00 0.00 H new ATOM 327 N TYR A 24 4.851 -7.106 6.187 1.00 0.00 N ATOM 328 CA TYR A 24 5.400 -5.905 5.568 1.00 0.00 C ATOM 329 C TYR A 24 5.859 -4.908 6.627 1.00 0.00 C ATOM 330 O TYR A 24 6.976 -4.395 6.569 1.00 0.00 O ATOM 331 CB TYR A 24 4.357 -5.255 4.657 1.00 0.00 C ATOM 332 CG TYR A 24 4.938 -4.233 3.706 1.00 0.00 C ATOM 333 CD1 TYR A 24 5.559 -3.085 4.183 1.00 0.00 C ATOM 334 CD2 TYR A 24 4.866 -4.415 2.330 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.091 -2.148 3.318 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.397 -3.484 1.458 1.00 0.00 C ATOM 337 CZ TYR A 24 6.007 -2.352 1.956 1.00 0.00 C ATOM 338 OH TYR A 24 6.536 -1.422 1.091 1.00 0.00 O ATOM 0 H TYR A 24 3.849 -7.234 6.044 1.00 0.00 H new ATOM 0 HA TYR A 24 6.264 -6.196 4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.856 -6.032 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.597 -4.775 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.627 -2.922 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.387 -5.299 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.570 -1.261 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.335 -3.642 0.391 1.00 0.00 H new ATOM 0 HH TYR A 24 6.958 -0.701 1.604 1.00 0.00 H new ATOM 348 N ALA A 25 4.988 -4.640 7.595 1.00 0.00 N ATOM 349 CA ALA A 25 5.304 -3.706 8.669 1.00 0.00 C ATOM 350 C ALA A 25 6.728 -3.913 9.175 1.00 0.00 C ATOM 351 O ALA A 25 7.527 -2.977 9.207 1.00 0.00 O ATOM 352 CB ALA A 25 4.310 -3.859 9.810 1.00 0.00 C ATOM 0 H ALA A 25 4.059 -5.056 7.657 1.00 0.00 H new ATOM 0 HA ALA A 25 5.231 -2.694 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.558 -3.156 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.303 -3.655 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.356 -4.876 10.198 1.00 0.00 H new ATOM 358 N MET A 26 7.039 -5.144 9.568 1.00 0.00 N ATOM 359 CA MET A 26 8.367 -5.472 10.072 1.00 0.00 C ATOM 360 C MET A 26 9.414 -5.344 8.970 1.00 0.00 C ATOM 361 O MET A 26 10.462 -4.731 9.165 1.00 0.00 O ATOM 362 CB MET A 26 8.383 -6.891 10.643 1.00 0.00 C ATOM 363 CG MET A 26 7.405 -7.096 11.789 1.00 0.00 C ATOM 364 SD MET A 26 7.332 -8.811 12.342 1.00 0.00 S ATOM 365 CE MET A 26 6.504 -9.580 10.952 1.00 0.00 C ATOM 0 H MET A 26 6.390 -5.930 9.547 1.00 0.00 H new ATOM 0 HA MET A 26 8.611 -4.766 10.865 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.150 -7.597 9.846 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.390 -7.123 10.990 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.694 -6.460 12.626 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.411 -6.777 11.475 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.970 -10.542 10.738 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.452 -9.732 11.194 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.586 -8.935 10.077 1.00 0.00 H new ATOM 375 N ASN A 27 9.121 -5.926 7.812 1.00 0.00 N ATOM 376 CA ASN A 27 10.038 -5.877 6.678 1.00 0.00 C ATOM 377 C ASN A 27 9.394 -5.174 5.487 1.00 0.00 C ATOM 378 O ASN A 27 8.375 -5.624 4.965 1.00 0.00 O ATOM 379 CB ASN A 27 10.466 -7.291 6.280 1.00 0.00 C ATOM 380 CG ASN A 27 11.462 -7.293 5.137 1.00 0.00 C ATOM 381 OD1 ASN A 27 11.582 -6.313 4.401 1.00 0.00 O ATOM 382 ND2 ASN A 27 12.184 -8.397 4.984 1.00 0.00 N ATOM 0 H ASN A 27 8.256 -6.437 7.634 1.00 0.00 H new ATOM 0 HA ASN A 27 10.918 -5.309 6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.906 -7.791 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.586 -7.867 5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.871 -8.457 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.051 -9.185 5.618 1.00 0.00 H new ATOM 389 N MET A 28 9.996 -4.067 5.064 1.00 0.00 N ATOM 390 CA MET A 28 9.481 -3.303 3.934 1.00 0.00 C ATOM 391 C MET A 28 9.376 -4.178 2.689 1.00 0.00 C ATOM 392 O MET A 28 8.289 -4.368 2.143 1.00 0.00 O ATOM 393 CB MET A 28 10.384 -2.100 3.651 1.00 0.00 C ATOM 394 CG MET A 28 10.643 -1.234 4.873 1.00 0.00 C ATOM 395 SD MET A 28 9.379 0.029 5.111 1.00 0.00 S ATOM 396 CE MET A 28 8.298 -0.789 6.282 1.00 0.00 C ATOM 0 H MET A 28 10.840 -3.680 5.486 1.00 0.00 H new ATOM 0 HA MET A 28 8.483 -2.947 4.192 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.337 -2.456 3.259 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.928 -1.489 2.873 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.689 -1.867 5.759 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.616 -0.754 4.773 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.260 -0.564 6.037 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.457 -1.866 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.518 -0.435 7.289 1.00 0.00 H new ATOM 406 N GLU A 29 10.512 -4.707 2.245 1.00 0.00 N ATOM 407 CA GLU A 29 10.546 -5.561 1.063 1.00 0.00 C ATOM 408 C GLU A 29 11.181 -6.910 1.385 1.00 0.00 C ATOM 409 O GLU A 29 12.401 -7.043 1.483 1.00 0.00 O ATOM 410 CB GLU A 29 11.319 -4.876 -0.066 1.00 0.00 C ATOM 411 CG GLU A 29 10.559 -3.735 -0.721 1.00 0.00 C ATOM 412 CD GLU A 29 11.457 -2.830 -1.541 1.00 0.00 C ATOM 413 OE1 GLU A 29 12.406 -3.347 -2.167 1.00 0.00 O ATOM 414 OE2 GLU A 29 11.212 -1.606 -1.556 1.00 0.00 O ATOM 0 H GLU A 29 11.420 -4.559 2.685 1.00 0.00 H new ATOM 0 HA GLU A 29 9.519 -5.731 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.260 -4.494 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.569 -5.617 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.779 -4.144 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.061 -3.146 0.049 1.00 0.00 H new ATOM 421 N PRO A 30 10.335 -7.937 1.553 1.00 0.00 N ATOM 422 CA PRO A 30 10.790 -9.295 1.867 1.00 0.00 C ATOM 423 C PRO A 30 11.506 -9.951 0.692 1.00 0.00 C ATOM 424 O PRO A 30 11.508 -9.424 -0.420 1.00 0.00 O ATOM 425 CB PRO A 30 9.491 -10.040 2.185 1.00 0.00 C ATOM 426 CG PRO A 30 8.435 -9.291 1.447 1.00 0.00 C ATOM 427 CD PRO A 30 8.868 -7.851 1.451 1.00 0.00 C ATOM 0 HA PRO A 30 11.513 -9.305 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.540 -11.079 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.293 -10.051 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.332 -9.664 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.465 -9.408 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.558 -7.335 0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.438 -7.304 2.290 1.00 0.00 H new ATOM 435 N ASN A 31 12.115 -11.105 0.946 1.00 0.00 N ATOM 436 CA ASN A 31 12.835 -11.834 -0.092 1.00 0.00 C ATOM 437 C ASN A 31 12.074 -13.091 -0.502 1.00 0.00 C ATOM 438 O ASN A 31 11.016 -13.396 0.048 1.00 0.00 O ATOM 439 CB ASN A 31 14.235 -12.209 0.398 1.00 0.00 C ATOM 440 CG ASN A 31 14.292 -12.393 1.902 1.00 0.00 C ATOM 441 OD1 ASN A 31 13.917 -13.579 2.367 1.00 0.00 O flip ATOM 442 ND2 ASN A 31 14.668 -11.480 2.637 1.00 0.00 N flip ATOM 0 H ASN A 31 12.124 -11.555 1.861 1.00 0.00 H new ATOM 0 HA ASN A 31 12.923 -11.184 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.553 -13.130 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.940 -11.432 0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.947 -10.585 2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.700 -11.619 3.647 1.00 0.00 H new ATOM 449 N SER A 32 12.621 -13.818 -1.472 1.00 0.00 N ATOM 450 CA SER A 32 11.993 -15.040 -1.958 1.00 0.00 C ATOM 451 C SER A 32 11.669 -15.982 -0.802 1.00 0.00 C ATOM 452 O SER A 32 10.585 -16.562 -0.744 1.00 0.00 O ATOM 453 CB SER A 32 12.907 -15.743 -2.963 1.00 0.00 C ATOM 454 OG SER A 32 14.106 -16.178 -2.345 1.00 0.00 O ATOM 0 H SER A 32 13.498 -13.581 -1.936 1.00 0.00 H new ATOM 0 HA SER A 32 11.061 -14.768 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.387 -16.597 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.142 -15.064 -3.782 1.00 0.00 H new ATOM 0 HG SER A 32 14.672 -16.626 -3.008 1.00 0.00 H new ATOM 460 N ASP A 33 12.618 -16.129 0.116 1.00 0.00 N ATOM 461 CA ASP A 33 12.436 -16.999 1.272 1.00 0.00 C ATOM 462 C ASP A 33 11.228 -16.562 2.095 1.00 0.00 C ATOM 463 O ASP A 33 10.308 -17.345 2.327 1.00 0.00 O ATOM 464 CB ASP A 33 13.692 -16.994 2.144 1.00 0.00 C ATOM 465 CG ASP A 33 14.673 -18.081 1.752 1.00 0.00 C ATOM 466 OD1 ASP A 33 15.339 -17.930 0.705 1.00 0.00 O ATOM 467 OD2 ASP A 33 14.777 -19.082 2.491 1.00 0.00 O ATOM 0 H ASP A 33 13.521 -15.657 0.082 1.00 0.00 H new ATOM 0 HA ASP A 33 12.260 -18.012 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.181 -16.023 2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.407 -17.125 3.188 1.00 0.00 H new ATOM 472 N GLU A 34 11.240 -15.308 2.535 1.00 0.00 N ATOM 473 CA GLU A 34 10.146 -14.769 3.334 1.00 0.00 C ATOM 474 C GLU A 34 8.828 -14.838 2.569 1.00 0.00 C ATOM 475 O GLU A 34 7.863 -15.453 3.025 1.00 0.00 O ATOM 476 CB GLU A 34 10.442 -13.322 3.733 1.00 0.00 C ATOM 477 CG GLU A 34 11.497 -13.193 4.819 1.00 0.00 C ATOM 478 CD GLU A 34 10.950 -13.490 6.202 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.472 -14.622 6.421 1.00 0.00 O ATOM 480 OE2 GLU A 34 11.001 -12.588 7.065 1.00 0.00 O ATOM 0 H GLU A 34 11.995 -14.647 2.352 1.00 0.00 H new ATOM 0 HA GLU A 34 10.055 -15.376 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.771 -12.771 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.520 -12.853 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.320 -13.875 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.907 -12.183 4.804 1.00 0.00 H new ATOM 487 N LEU A 35 8.793 -14.202 1.403 1.00 0.00 N ATOM 488 CA LEU A 35 7.594 -14.189 0.573 1.00 0.00 C ATOM 489 C LEU A 35 6.872 -15.531 0.640 1.00 0.00 C ATOM 490 O LEU A 35 5.678 -15.592 0.938 1.00 0.00 O ATOM 491 CB LEU A 35 7.956 -13.864 -0.877 1.00 0.00 C ATOM 492 CG LEU A 35 7.974 -12.381 -1.248 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.508 -12.189 -2.659 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.582 -11.781 -1.117 1.00 0.00 C ATOM 0 H LEU A 35 9.582 -13.688 1.011 1.00 0.00 H new ATOM 0 HA LEU A 35 6.926 -13.417 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.940 -14.283 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.247 -14.373 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 35 8.638 -11.862 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.513 -11.127 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.523 -12.580 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.871 -12.722 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.614 -10.725 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.896 -12.304 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.237 -11.884 -0.088 1.00 0.00 H new ATOM 506 N LEU A 36 7.603 -16.605 0.362 1.00 0.00 N ATOM 507 CA LEU A 36 7.033 -17.947 0.393 1.00 0.00 C ATOM 508 C LEU A 36 6.275 -18.188 1.695 1.00 0.00 C ATOM 509 O LEU A 36 5.064 -18.409 1.689 1.00 0.00 O ATOM 510 CB LEU A 36 8.136 -18.995 0.231 1.00 0.00 C ATOM 511 CG LEU A 36 7.703 -20.454 0.380 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.504 -20.749 -0.507 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.857 -21.389 0.049 1.00 0.00 C ATOM 0 H LEU A 36 8.592 -16.572 0.113 1.00 0.00 H new ATOM 0 HA LEU A 36 6.331 -18.035 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.587 -18.870 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.914 -18.791 0.966 1.00 0.00 H new ATOM 0 HG LEU A 36 7.411 -20.622 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.211 -21.792 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.673 -20.103 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.767 -20.564 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.531 -22.423 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.180 -21.219 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.688 -21.196 0.727 1.00 0.00 H new ATOM 525 N LYS A 37 6.996 -18.141 2.810 1.00 0.00 N ATOM 526 CA LYS A 37 6.393 -18.350 4.121 1.00 0.00 C ATOM 527 C LYS A 37 5.153 -17.479 4.294 1.00 0.00 C ATOM 528 O LYS A 37 4.119 -17.943 4.776 1.00 0.00 O ATOM 529 CB LYS A 37 7.405 -18.040 5.226 1.00 0.00 C ATOM 530 CG LYS A 37 8.148 -19.265 5.731 1.00 0.00 C ATOM 531 CD LYS A 37 7.458 -19.878 6.938 1.00 0.00 C ATOM 532 CE LYS A 37 6.454 -20.943 6.526 1.00 0.00 C ATOM 533 NZ LYS A 37 7.122 -22.135 5.934 1.00 0.00 N ATOM 0 H LYS A 37 8.000 -17.960 2.832 1.00 0.00 H new ATOM 0 HA LYS A 37 6.094 -19.396 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.128 -17.315 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.886 -17.570 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.214 -20.005 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.169 -18.989 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.204 -20.317 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.950 -19.097 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.871 -21.248 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.754 -20.523 5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.506 -22.966 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.304 -21.965 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.023 -22.307 6.424 1.00 0.00 H new ATOM 547 N ILE A 38 5.262 -16.216 3.897 1.00 0.00 N ATOM 548 CA ILE A 38 4.149 -15.281 4.007 1.00 0.00 C ATOM 549 C ILE A 38 2.891 -15.847 3.355 1.00 0.00 C ATOM 550 O ILE A 38 1.805 -15.798 3.933 1.00 0.00 O ATOM 551 CB ILE A 38 4.485 -13.926 3.357 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.674 -13.276 4.068 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.273 -13.007 3.391 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.378 -12.229 3.233 1.00 0.00 C ATOM 0 H ILE A 38 6.110 -15.816 3.496 1.00 0.00 H new ATOM 0 HA ILE A 38 3.968 -15.129 5.071 1.00 0.00 H new ATOM 0 HB ILE A 38 4.757 -14.097 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.327 -12.818 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.390 -14.050 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.526 -12.053 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.451 -13.469 2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.972 -12.840 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.210 -11.811 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.755 -12.686 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.676 -11.435 2.978 1.00 0.00 H new ATOM 566 N SER A 39 3.046 -16.385 2.150 1.00 0.00 N ATOM 567 CA SER A 39 1.923 -16.958 1.419 1.00 0.00 C ATOM 568 C SER A 39 1.585 -18.350 1.946 1.00 0.00 C ATOM 569 O SER A 39 0.496 -18.870 1.702 1.00 0.00 O ATOM 570 CB SER A 39 2.243 -17.030 -0.076 1.00 0.00 C ATOM 571 OG SER A 39 2.923 -18.232 -0.394 1.00 0.00 O ATOM 0 H SER A 39 3.939 -16.436 1.659 1.00 0.00 H new ATOM 0 HA SER A 39 1.058 -16.312 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.320 -16.967 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.856 -16.175 -0.362 1.00 0.00 H new ATOM 0 HG SER A 39 2.271 -18.923 -0.633 1.00 0.00 H new ATOM 577 N ILE A 40 2.526 -18.946 2.669 1.00 0.00 N ATOM 578 CA ILE A 40 2.329 -20.276 3.232 1.00 0.00 C ATOM 579 C ILE A 40 1.477 -20.218 4.496 1.00 0.00 C ATOM 580 O ILE A 40 0.431 -20.859 4.581 1.00 0.00 O ATOM 581 CB ILE A 40 3.672 -20.953 3.562 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.338 -21.466 2.284 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.464 -22.090 4.551 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.710 -22.059 2.513 1.00 0.00 C ATOM 0 H ILE A 40 3.433 -18.529 2.879 1.00 0.00 H new ATOM 0 HA ILE A 40 1.811 -20.865 2.475 1.00 0.00 H new ATOM 0 HB ILE A 40 4.330 -20.215 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.697 -22.220 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.420 -20.645 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.423 -22.558 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.029 -21.698 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.791 -22.830 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.121 -22.402 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.367 -21.302 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.632 -22.902 3.200 1.00 0.00 H new ATOM 596 N ALA A 41 1.933 -19.442 5.474 1.00 0.00 N ATOM 597 CA ALA A 41 1.211 -19.296 6.732 1.00 0.00 C ATOM 598 C ALA A 41 -0.273 -19.048 6.488 1.00 0.00 C ATOM 599 O ALA A 41 -1.128 -19.607 7.175 1.00 0.00 O ATOM 600 CB ALA A 41 1.809 -18.165 7.555 1.00 0.00 C ATOM 0 H ALA A 41 2.799 -18.905 5.419 1.00 0.00 H new ATOM 0 HA ALA A 41 1.310 -20.228 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.260 -18.067 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.855 -18.384 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.741 -17.232 6.995 1.00 0.00 H new ATOM 606 N VAL A 42 -0.574 -18.205 5.505 1.00 0.00 N ATOM 607 CA VAL A 42 -1.955 -17.883 5.170 1.00 0.00 C ATOM 608 C VAL A 42 -2.572 -18.960 4.285 1.00 0.00 C ATOM 609 O VAL A 42 -3.763 -19.251 4.382 1.00 0.00 O ATOM 610 CB VAL A 42 -2.056 -16.524 4.451 1.00 0.00 C ATOM 611 CG1 VAL A 42 -1.719 -15.389 5.406 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.145 -16.496 3.234 1.00 0.00 C ATOM 0 H VAL A 42 0.121 -17.733 4.927 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.504 -17.831 6.110 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.082 -16.388 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.796 -14.437 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.417 -15.399 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.703 -15.517 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.229 -15.529 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.113 -16.654 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.438 -17.285 2.542 1.00 0.00 H new ATOM 622 N GLY A 43 -1.751 -19.550 3.421 1.00 0.00 N ATOM 623 CA GLY A 43 -2.234 -20.589 2.530 1.00 0.00 C ATOM 624 C GLY A 43 -2.314 -20.127 1.089 1.00 0.00 C ATOM 625 O GLY A 43 -2.696 -20.893 0.204 1.00 0.00 O ATOM 0 H GLY A 43 -0.761 -19.327 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.574 -21.454 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.221 -20.915 2.859 1.00 0.00 H new ATOM 629 N LEU A 44 -1.956 -18.870 0.852 1.00 0.00 N ATOM 630 CA LEU A 44 -1.992 -18.305 -0.493 1.00 0.00 C ATOM 631 C LEU A 44 -0.733 -18.674 -1.272 1.00 0.00 C ATOM 632 O LEU A 44 0.323 -18.947 -0.700 1.00 0.00 O ATOM 633 CB LEU A 44 -2.136 -16.784 -0.425 1.00 0.00 C ATOM 634 CG LEU A 44 -3.523 -16.256 -0.058 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.428 -14.845 0.500 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.444 -16.292 -1.270 1.00 0.00 C ATOM 0 H LEU A 44 -1.638 -18.223 1.573 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.854 -18.722 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.420 -16.404 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.856 -16.369 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.944 -16.901 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.425 -14.487 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.804 -14.848 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.987 -14.187 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.427 -15.913 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.027 -15.671 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.538 -17.318 -1.625 1.00 0.00 H new ATOM 648 N PRO A 45 -0.844 -18.681 -2.608 1.00 0.00 N ATOM 649 CA PRO A 45 0.275 -19.011 -3.494 1.00 0.00 C ATOM 650 C PRO A 45 1.354 -17.934 -3.492 1.00 0.00 C ATOM 651 O PRO A 45 1.062 -16.750 -3.663 1.00 0.00 O ATOM 652 CB PRO A 45 -0.380 -19.108 -4.874 1.00 0.00 C ATOM 653 CG PRO A 45 -1.593 -18.249 -4.778 1.00 0.00 C ATOM 654 CD PRO A 45 -2.072 -18.366 -3.357 1.00 0.00 C ATOM 0 HA PRO A 45 0.784 -19.924 -3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.292 -18.758 -5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.642 -20.138 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.359 -17.214 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.361 -18.579 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.528 -17.439 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.821 -19.150 -3.249 1.00 0.00 H new ATOM 662 N GLN A 46 2.601 -18.351 -3.298 1.00 0.00 N ATOM 663 CA GLN A 46 3.723 -17.420 -3.273 1.00 0.00 C ATOM 664 C GLN A 46 3.647 -16.446 -4.444 1.00 0.00 C ATOM 665 O GLN A 46 4.068 -15.295 -4.333 1.00 0.00 O ATOM 666 CB GLN A 46 5.048 -18.184 -3.314 1.00 0.00 C ATOM 667 CG GLN A 46 6.269 -17.292 -3.157 1.00 0.00 C ATOM 668 CD GLN A 46 7.569 -18.072 -3.188 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.640 -19.159 -3.762 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.606 -17.520 -2.570 1.00 0.00 N ATOM 0 H GLN A 46 2.860 -19.327 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 46 3.670 -16.850 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.051 -18.933 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.119 -18.721 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.276 -16.549 -3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.198 -16.748 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.502 -16.617 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.507 -17.999 -2.558 1.00 0.00 H new ATOM 679 N GLU A 47 3.110 -16.916 -5.565 1.00 0.00 N ATOM 680 CA GLU A 47 2.981 -16.085 -6.757 1.00 0.00 C ATOM 681 C GLU A 47 2.081 -14.883 -6.487 1.00 0.00 C ATOM 682 O GLU A 47 2.423 -13.749 -6.823 1.00 0.00 O ATOM 683 CB GLU A 47 2.419 -16.906 -7.920 1.00 0.00 C ATOM 684 CG GLU A 47 3.338 -18.030 -8.371 1.00 0.00 C ATOM 685 CD GLU A 47 2.713 -18.898 -9.446 1.00 0.00 C ATOM 686 OE1 GLU A 47 2.148 -18.336 -10.407 1.00 0.00 O ATOM 687 OE2 GLU A 47 2.788 -20.138 -9.325 1.00 0.00 O ATOM 0 H GLU A 47 2.757 -17.867 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 47 3.973 -15.722 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.459 -17.329 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.229 -16.243 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.268 -17.605 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.596 -18.650 -7.513 1.00 0.00 H new ATOM 694 N PHE A 48 0.927 -15.140 -5.879 1.00 0.00 N ATOM 695 CA PHE A 48 -0.024 -14.080 -5.566 1.00 0.00 C ATOM 696 C PHE A 48 0.574 -13.088 -4.572 1.00 0.00 C ATOM 697 O PHE A 48 0.615 -11.885 -4.827 1.00 0.00 O ATOM 698 CB PHE A 48 -1.313 -14.675 -4.996 1.00 0.00 C ATOM 699 CG PHE A 48 -2.332 -13.641 -4.610 1.00 0.00 C ATOM 700 CD1 PHE A 48 -2.280 -13.027 -3.369 1.00 0.00 C ATOM 701 CD2 PHE A 48 -3.342 -13.282 -5.489 1.00 0.00 C ATOM 702 CE1 PHE A 48 -3.215 -12.074 -3.011 1.00 0.00 C ATOM 703 CE2 PHE A 48 -4.280 -12.330 -5.136 1.00 0.00 C ATOM 704 CZ PHE A 48 -4.217 -11.726 -3.896 1.00 0.00 C ATOM 0 H PHE A 48 0.628 -16.073 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.254 -13.548 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.751 -15.347 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.069 -15.278 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.499 -13.296 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.397 -13.751 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.162 -11.602 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.062 -12.059 -5.830 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.950 -10.983 -3.618 1.00 0.00 H new ATOM 714 N VAL A 49 1.037 -13.603 -3.437 1.00 0.00 N ATOM 715 CA VAL A 49 1.634 -12.765 -2.405 1.00 0.00 C ATOM 716 C VAL A 49 2.688 -11.834 -2.994 1.00 0.00 C ATOM 717 O VAL A 49 2.817 -10.682 -2.580 1.00 0.00 O ATOM 718 CB VAL A 49 2.279 -13.615 -1.294 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.248 -12.777 -0.474 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.209 -14.231 -0.406 1.00 0.00 C ATOM 0 H VAL A 49 1.010 -14.597 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 49 0.828 -12.171 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 49 2.842 -14.424 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.694 -13.395 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.033 -12.390 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.712 -11.945 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.682 -14.828 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.617 -13.439 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.560 -14.868 -1.007 1.00 0.00 H new ATOM 730 N LYS A 50 3.441 -12.341 -3.964 1.00 0.00 N ATOM 731 CA LYS A 50 4.484 -11.556 -4.614 1.00 0.00 C ATOM 732 C LYS A 50 3.920 -10.248 -5.160 1.00 0.00 C ATOM 733 O LYS A 50 4.306 -9.165 -4.722 1.00 0.00 O ATOM 734 CB LYS A 50 5.125 -12.360 -5.747 1.00 0.00 C ATOM 735 CG LYS A 50 6.049 -11.538 -6.629 1.00 0.00 C ATOM 736 CD LYS A 50 7.387 -11.287 -5.954 1.00 0.00 C ATOM 737 CE LYS A 50 8.277 -10.386 -6.797 1.00 0.00 C ATOM 738 NZ LYS A 50 9.674 -10.348 -6.283 1.00 0.00 N ATOM 0 H LYS A 50 3.348 -13.293 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 50 5.244 -11.320 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.688 -13.190 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.338 -12.793 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.209 -12.058 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.575 -10.585 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.223 -10.829 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.891 -12.237 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.279 -10.740 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.866 -9.376 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.248 -9.724 -6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.675 -9.987 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.075 -11.307 -6.297 1.00 0.00 H new ATOM 752 N GLU A 51 3.004 -10.358 -6.117 1.00 0.00 N ATOM 753 CA GLU A 51 2.387 -9.183 -6.722 1.00 0.00 C ATOM 754 C GLU A 51 1.901 -8.212 -5.650 1.00 0.00 C ATOM 755 O GLU A 51 2.121 -7.005 -5.745 1.00 0.00 O ATOM 756 CB GLU A 51 1.219 -9.598 -7.619 1.00 0.00 C ATOM 757 CG GLU A 51 1.652 -10.272 -8.909 1.00 0.00 C ATOM 758 CD GLU A 51 0.478 -10.756 -9.738 1.00 0.00 C ATOM 759 OE1 GLU A 51 -0.299 -11.593 -9.232 1.00 0.00 O ATOM 760 OE2 GLU A 51 0.335 -10.298 -10.890 1.00 0.00 O ATOM 0 H GLU A 51 2.673 -11.248 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 51 3.140 -8.680 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.570 -10.276 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.627 -8.716 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.244 -9.572 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.298 -11.117 -8.673 1.00 0.00 H new ATOM 767 N TRP A 52 1.237 -8.748 -4.632 1.00 0.00 N ATOM 768 CA TRP A 52 0.718 -7.929 -3.542 1.00 0.00 C ATOM 769 C TRP A 52 1.799 -7.005 -2.994 1.00 0.00 C ATOM 770 O TRP A 52 1.578 -5.805 -2.829 1.00 0.00 O ATOM 771 CB TRP A 52 0.174 -8.819 -2.423 1.00 0.00 C ATOM 772 CG TRP A 52 -0.531 -8.053 -1.345 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.831 -7.634 -1.354 1.00 0.00 C ATOM 774 CD2 TRP A 52 0.026 -7.613 -0.102 1.00 0.00 C ATOM 775 NE1 TRP A 52 -2.115 -6.960 -0.191 1.00 0.00 N ATOM 776 CE2 TRP A 52 -0.993 -6.935 0.594 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.286 -7.729 0.492 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.789 -6.374 1.852 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.487 -7.172 1.740 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.454 -6.502 2.410 1.00 0.00 C ATOM 0 H TRP A 52 1.045 -9.745 -4.538 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.093 -7.315 -3.935 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.514 -9.548 -2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.998 -9.379 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.532 -7.807 -2.157 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -3.016 -6.545 0.049 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.088 -8.245 -0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.583 -5.856 2.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.457 -7.254 2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.643 -6.079 3.385 1.00 0.00 H new ATOM 791 N PHE A 53 2.968 -7.570 -2.712 1.00 0.00 N ATOM 792 CA PHE A 53 4.084 -6.796 -2.180 1.00 0.00 C ATOM 793 C PHE A 53 4.663 -5.873 -3.249 1.00 0.00 C ATOM 794 O PHE A 53 4.986 -4.718 -2.977 1.00 0.00 O ATOM 795 CB PHE A 53 5.174 -7.729 -1.651 1.00 0.00 C ATOM 796 CG PHE A 53 5.006 -8.085 -0.201 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.557 -7.289 0.790 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.297 -9.216 0.171 1.00 0.00 C ATOM 799 CE1 PHE A 53 5.404 -7.613 2.125 1.00 0.00 C ATOM 800 CE2 PHE A 53 4.140 -9.545 1.504 1.00 0.00 C ATOM 801 CZ PHE A 53 4.696 -8.743 2.482 1.00 0.00 C ATOM 0 H PHE A 53 3.168 -8.562 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 53 3.711 -6.184 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.177 -8.644 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.146 -7.255 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.113 -6.404 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.862 -9.848 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.838 -6.983 2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.583 -10.428 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.577 -9.000 3.524 1.00 0.00 H new ATOM 811 N GLU A 54 4.793 -6.395 -4.465 1.00 0.00 N ATOM 812 CA GLU A 54 5.335 -5.619 -5.574 1.00 0.00 C ATOM 813 C GLU A 54 4.599 -4.290 -5.720 1.00 0.00 C ATOM 814 O GLU A 54 5.220 -3.231 -5.800 1.00 0.00 O ATOM 815 CB GLU A 54 5.237 -6.414 -6.878 1.00 0.00 C ATOM 816 CG GLU A 54 6.166 -7.615 -6.930 1.00 0.00 C ATOM 817 CD GLU A 54 6.140 -8.316 -8.274 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.139 -9.002 -8.566 1.00 0.00 O ATOM 819 OE2 GLU A 54 7.121 -8.177 -9.034 1.00 0.00 O ATOM 0 H GLU A 54 4.531 -7.351 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 54 6.384 -5.412 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.210 -6.754 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.464 -5.753 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.184 -7.292 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.883 -8.322 -6.150 1.00 0.00 H new ATOM 826 N GLN A 55 3.272 -4.356 -5.754 1.00 0.00 N ATOM 827 CA GLN A 55 2.451 -3.158 -5.891 1.00 0.00 C ATOM 828 C GLN A 55 2.937 -2.056 -4.956 1.00 0.00 C ATOM 829 O GLN A 55 3.183 -0.928 -5.386 1.00 0.00 O ATOM 830 CB GLN A 55 0.986 -3.483 -5.598 1.00 0.00 C ATOM 831 CG GLN A 55 0.236 -4.046 -6.795 1.00 0.00 C ATOM 832 CD GLN A 55 -1.266 -4.061 -6.589 1.00 0.00 C ATOM 833 OE1 GLN A 55 -1.979 -3.182 -7.073 1.00 0.00 O ATOM 834 NE2 GLN A 55 -1.755 -5.062 -5.867 1.00 0.00 N ATOM 0 H GLN A 55 2.743 -5.225 -5.689 1.00 0.00 H new ATOM 0 HA GLN A 55 2.539 -2.803 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.939 -4.201 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.483 -2.578 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.472 -3.453 -7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.582 -5.061 -6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.127 -5.769 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.758 -5.124 -5.695 1.00 0.00 H new ATOM 843 N ARG A 56 3.073 -2.389 -3.677 1.00 0.00 N ATOM 844 CA ARG A 56 3.528 -1.426 -2.681 1.00 0.00 C ATOM 845 C ARG A 56 4.720 -0.628 -3.201 1.00 0.00 C ATOM 846 O ARG A 56 4.834 0.572 -2.951 1.00 0.00 O ATOM 847 CB ARG A 56 3.907 -2.142 -1.384 1.00 0.00 C ATOM 848 CG ARG A 56 2.787 -2.993 -0.808 1.00 0.00 C ATOM 849 CD ARG A 56 1.649 -2.133 -0.280 1.00 0.00 C ATOM 850 NE ARG A 56 0.508 -2.937 0.148 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.615 -2.419 0.633 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.747 -1.105 0.750 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.610 -3.217 1.001 1.00 0.00 N ATOM 0 H ARG A 56 2.875 -3.318 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 56 2.709 -0.735 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.775 -2.775 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.206 -1.400 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.409 -3.667 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.178 -3.615 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.006 -1.535 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.331 -1.437 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 56 0.577 -3.952 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.015 -0.489 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.611 -0.710 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.512 -4.228 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.472 -2.819 1.373 1.00 0.00 H new ATOM 867 N LYS A 57 5.606 -1.302 -3.926 1.00 0.00 N ATOM 868 CA LYS A 57 6.789 -0.657 -4.482 1.00 0.00 C ATOM 869 C LYS A 57 6.403 0.358 -5.553 1.00 0.00 C ATOM 870 O LYS A 57 6.952 1.459 -5.606 1.00 0.00 O ATOM 871 CB LYS A 57 7.735 -1.705 -5.076 1.00 0.00 C ATOM 872 CG LYS A 57 8.194 -2.747 -4.071 1.00 0.00 C ATOM 873 CD LYS A 57 9.486 -3.415 -4.512 1.00 0.00 C ATOM 874 CE LYS A 57 9.214 -4.650 -5.359 1.00 0.00 C ATOM 875 NZ LYS A 57 8.859 -4.294 -6.761 1.00 0.00 N ATOM 0 H LYS A 57 5.527 -2.296 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 57 7.299 -0.131 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.234 -2.207 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.609 -1.201 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.340 -2.277 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.417 -3.501 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.087 -2.707 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.070 -3.695 -3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.095 -5.291 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.402 -5.224 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.059 -5.101 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.848 -4.058 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.422 -3.474 -7.064 1.00 0.00 H new ATOM 889 N VAL A 58 5.454 -0.018 -6.404 1.00 0.00 N ATOM 890 CA VAL A 58 4.992 0.861 -7.472 1.00 0.00 C ATOM 891 C VAL A 58 4.615 2.235 -6.928 1.00 0.00 C ATOM 892 O VAL A 58 5.056 3.261 -7.446 1.00 0.00 O ATOM 893 CB VAL A 58 3.778 0.262 -8.207 1.00 0.00 C ATOM 894 CG1 VAL A 58 3.294 1.206 -9.296 1.00 0.00 C ATOM 895 CG2 VAL A 58 4.128 -1.100 -8.788 1.00 0.00 C ATOM 0 H VAL A 58 4.990 -0.926 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 58 5.818 0.965 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 58 2.969 0.129 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.436 0.766 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.003 2.157 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.096 1.373 -10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.260 -1.510 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.952 -0.994 -9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.423 -1.774 -7.984 1.00 0.00 H new ATOM 905 N TYR A 59 3.797 2.247 -5.881 1.00 0.00 N ATOM 906 CA TYR A 59 3.359 3.494 -5.268 1.00 0.00 C ATOM 907 C TYR A 59 4.512 4.176 -4.537 1.00 0.00 C ATOM 908 O TYR A 59 4.737 5.376 -4.695 1.00 0.00 O ATOM 909 CB TYR A 59 2.208 3.232 -4.295 1.00 0.00 C ATOM 910 CG TYR A 59 1.321 2.078 -4.704 1.00 0.00 C ATOM 911 CD1 TYR A 59 0.687 2.067 -5.941 1.00 0.00 C ATOM 912 CD2 TYR A 59 1.117 0.998 -3.854 1.00 0.00 C ATOM 913 CE1 TYR A 59 -0.125 1.015 -6.318 1.00 0.00 C ATOM 914 CE2 TYR A 59 0.308 -0.059 -4.224 1.00 0.00 C ATOM 915 CZ TYR A 59 -0.311 -0.046 -5.456 1.00 0.00 C ATOM 916 OH TYR A 59 -1.118 -1.096 -5.829 1.00 0.00 O ATOM 0 H TYR A 59 3.424 1.406 -5.440 1.00 0.00 H new ATOM 0 HA TYR A 59 3.012 4.157 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.618 3.031 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.601 4.134 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.832 2.895 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.599 0.985 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.612 1.023 -7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.161 -0.891 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.801 -1.466 -6.679 1.00 0.00 H new ATOM 926 N GLN A 60 5.237 3.402 -3.737 1.00 0.00 N ATOM 927 CA GLN A 60 6.367 3.931 -2.981 1.00 0.00 C ATOM 928 C GLN A 60 7.371 4.609 -3.907 1.00 0.00 C ATOM 929 O GLN A 60 8.017 5.586 -3.528 1.00 0.00 O ATOM 930 CB GLN A 60 7.053 2.810 -2.199 1.00 0.00 C ATOM 931 CG GLN A 60 6.487 2.608 -0.802 1.00 0.00 C ATOM 932 CD GLN A 60 7.468 1.927 0.132 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.749 0.656 -0.128 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 7.967 2.537 1.078 1.00 0.00 N flip ATOM 0 H GLN A 60 5.063 2.407 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 60 5.987 4.674 -2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.960 1.879 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.118 3.031 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.205 3.575 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.577 2.011 -0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.723 3.514 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.625 2.066 1.699 1.00 0.00 H new ATOM 943 N TYR A 61 7.497 4.085 -5.121 1.00 0.00 N ATOM 944 CA TYR A 61 8.425 4.639 -6.100 1.00 0.00 C ATOM 945 C TYR A 61 7.745 5.705 -6.952 1.00 0.00 C ATOM 946 O TYR A 61 8.366 6.695 -7.340 1.00 0.00 O ATOM 947 CB TYR A 61 8.976 3.528 -6.996 1.00 0.00 C ATOM 948 CG TYR A 61 10.297 2.966 -6.521 1.00 0.00 C ATOM 949 CD1 TYR A 61 11.500 3.541 -6.912 1.00 0.00 C ATOM 950 CD2 TYR A 61 10.342 1.860 -5.682 1.00 0.00 C ATOM 951 CE1 TYR A 61 12.709 3.031 -6.482 1.00 0.00 C ATOM 952 CE2 TYR A 61 11.547 1.343 -5.245 1.00 0.00 C ATOM 953 CZ TYR A 61 12.727 1.932 -5.648 1.00 0.00 C ATOM 954 OH TYR A 61 13.929 1.420 -5.216 1.00 0.00 O ATOM 0 H TYR A 61 6.968 3.277 -5.451 1.00 0.00 H new ATOM 0 HA TYR A 61 9.250 5.104 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.246 2.721 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.098 3.916 -8.007 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.489 4.402 -7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.419 1.396 -5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 61 13.635 3.490 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.564 0.483 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 61 13.766 0.648 -4.635 1.00 0.00 H new ATOM 964 N SER A 62 6.465 5.496 -7.240 1.00 0.00 N ATOM 965 CA SER A 62 5.699 6.437 -8.049 1.00 0.00 C ATOM 966 C SER A 62 5.193 7.598 -7.199 1.00 0.00 C ATOM 967 O SER A 62 5.149 7.511 -5.973 1.00 0.00 O ATOM 968 CB SER A 62 4.520 5.727 -8.717 1.00 0.00 C ATOM 969 OG SER A 62 4.009 6.491 -9.796 1.00 0.00 O ATOM 0 H SER A 62 5.936 4.683 -6.925 1.00 0.00 H new ATOM 0 HA SER A 62 6.358 6.835 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.838 4.749 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.732 5.555 -7.984 1.00 0.00 H new ATOM 0 HG SER A 62 3.258 6.015 -10.207 1.00 0.00 H new ATOM 975 N ASN A 63 4.811 8.686 -7.861 1.00 0.00 N ATOM 976 CA ASN A 63 4.307 9.866 -7.167 1.00 0.00 C ATOM 977 C ASN A 63 5.364 10.434 -6.224 1.00 0.00 C ATOM 978 O ASN A 63 5.066 10.787 -5.083 1.00 0.00 O ATOM 979 CB ASN A 63 3.041 9.519 -6.382 1.00 0.00 C ATOM 980 CG ASN A 63 1.782 9.691 -7.211 1.00 0.00 C ATOM 981 OD1 ASN A 63 1.314 10.809 -7.424 1.00 0.00 O ATOM 982 ND2 ASN A 63 1.228 8.580 -7.682 1.00 0.00 N ATOM 0 H ASN A 63 4.841 8.775 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 63 4.067 10.623 -7.914 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.105 8.489 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.980 10.153 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.380 8.633 -8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.651 7.674 -7.480 1.00 0.00 H new ATOM 989 N SER A 64 6.598 10.519 -6.709 1.00 0.00 N ATOM 990 CA SER A 64 7.700 11.042 -5.910 1.00 0.00 C ATOM 991 C SER A 64 8.060 12.460 -6.342 1.00 0.00 C ATOM 992 O SER A 64 7.515 12.982 -7.314 1.00 0.00 O ATOM 993 CB SER A 64 8.923 10.132 -6.033 1.00 0.00 C ATOM 994 OG SER A 64 9.352 10.033 -7.380 1.00 0.00 O ATOM 0 H SER A 64 6.860 10.232 -7.652 1.00 0.00 H new ATOM 0 HA SER A 64 7.380 11.070 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.734 10.522 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.682 9.140 -5.651 1.00 0.00 H new ATOM 0 HG SER A 64 10.136 9.447 -7.431 1.00 0.00 H new ATOM 1000 N ARG A 65 8.984 13.077 -5.612 1.00 0.00 N ATOM 1001 CA ARG A 65 9.417 14.435 -5.918 1.00 0.00 C ATOM 1002 C ARG A 65 10.557 14.426 -6.933 1.00 0.00 C ATOM 1003 O ARG A 65 10.526 15.156 -7.923 1.00 0.00 O ATOM 1004 CB ARG A 65 9.862 15.151 -4.642 1.00 0.00 C ATOM 1005 CG ARG A 65 8.706 15.652 -3.790 1.00 0.00 C ATOM 1006 CD ARG A 65 8.187 16.992 -4.288 1.00 0.00 C ATOM 1007 NE ARG A 65 7.054 17.467 -3.498 1.00 0.00 N ATOM 1008 CZ ARG A 65 5.802 17.070 -3.696 1.00 0.00 C ATOM 1009 NH1 ARG A 65 5.524 16.195 -4.653 1.00 0.00 N ATOM 1010 NH2 ARG A 65 4.825 17.548 -2.936 1.00 0.00 N ATOM 0 H ARG A 65 9.447 12.658 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 65 8.572 14.970 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.472 14.471 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.496 15.995 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.899 14.920 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.031 15.749 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.990 17.729 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.888 16.900 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 65 7.234 18.141 -2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.272 15.825 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.562 15.892 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.035 18.221 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.864 17.242 -3.089 1.00 0.00 H new ATOM 1024 N SER A 66 11.563 13.595 -6.677 1.00 0.00 N ATOM 1025 CA SER A 66 12.715 13.494 -7.565 1.00 0.00 C ATOM 1026 C SER A 66 12.372 12.680 -8.810 1.00 0.00 C ATOM 1027 O SER A 66 12.402 13.192 -9.928 1.00 0.00 O ATOM 1028 CB SER A 66 13.896 12.854 -6.833 1.00 0.00 C ATOM 1029 OG SER A 66 15.129 13.248 -7.410 1.00 0.00 O ATOM 0 H SER A 66 11.603 12.983 -5.862 1.00 0.00 H new ATOM 0 HA SER A 66 12.992 14.501 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.875 13.141 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.805 11.768 -6.869 1.00 0.00 H new ATOM 0 HG SER A 66 15.868 12.827 -6.923 1.00 0.00 H new ATOM 1035 N GLY A 67 12.047 11.407 -8.606 1.00 0.00 N ATOM 1036 CA GLY A 67 11.703 10.542 -9.719 1.00 0.00 C ATOM 1037 C GLY A 67 10.585 11.109 -10.571 1.00 0.00 C ATOM 1038 O GLY A 67 9.955 12.108 -10.221 1.00 0.00 O ATOM 0 H GLY A 67 12.016 10.960 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.585 10.386 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.405 9.565 -9.337 1.00 0.00 H new ATOM 1042 N PRO A 68 10.326 10.466 -11.719 1.00 0.00 N ATOM 1043 CA PRO A 68 9.277 10.896 -12.648 1.00 0.00 C ATOM 1044 C PRO A 68 7.877 10.665 -12.088 1.00 0.00 C ATOM 1045 O PRO A 68 7.718 10.250 -10.940 1.00 0.00 O ATOM 1046 CB PRO A 68 9.512 10.019 -13.880 1.00 0.00 C ATOM 1047 CG PRO A 68 10.196 8.804 -13.355 1.00 0.00 C ATOM 1048 CD PRO A 68 11.038 9.270 -12.199 1.00 0.00 C ATOM 0 HA PRO A 68 9.328 11.965 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.572 9.764 -14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.127 10.532 -14.619 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.471 8.056 -13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.812 8.340 -14.125 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.112 8.508 -11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.055 9.506 -12.512 1.00 0.00 H new ATOM 1056 N SER A 69 6.865 10.934 -12.907 1.00 0.00 N ATOM 1057 CA SER A 69 5.479 10.758 -12.492 1.00 0.00 C ATOM 1058 C SER A 69 4.710 9.919 -13.509 1.00 0.00 C ATOM 1059 O SER A 69 4.572 10.303 -14.670 1.00 0.00 O ATOM 1060 CB SER A 69 4.799 12.118 -12.319 1.00 0.00 C ATOM 1061 OG SER A 69 4.964 12.606 -10.999 1.00 0.00 O ATOM 0 H SER A 69 6.979 11.275 -13.862 1.00 0.00 H new ATOM 0 HA SER A 69 5.476 10.234 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.219 12.831 -13.029 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.737 12.029 -12.547 1.00 0.00 H new ATOM 0 HG SER A 69 4.522 13.477 -10.915 1.00 0.00 H new ATOM 1067 N SER A 70 4.211 8.771 -13.062 1.00 0.00 N ATOM 1068 CA SER A 70 3.460 7.874 -13.932 1.00 0.00 C ATOM 1069 C SER A 70 2.211 8.563 -14.475 1.00 0.00 C ATOM 1070 O SER A 70 1.771 9.582 -13.944 1.00 0.00 O ATOM 1071 CB SER A 70 3.066 6.605 -13.174 1.00 0.00 C ATOM 1072 OG SER A 70 2.465 5.659 -14.041 1.00 0.00 O ATOM 0 H SER A 70 4.313 8.440 -12.103 1.00 0.00 H new ATOM 0 HA SER A 70 4.100 7.603 -14.772 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.949 6.167 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.374 6.858 -12.371 1.00 0.00 H new ATOM 0 HG SER A 70 2.224 4.856 -13.533 1.00 0.00 H new ATOM 1078 N GLY A 71 1.645 7.998 -15.537 1.00 0.00 N ATOM 1079 CA GLY A 71 0.453 8.571 -16.135 1.00 0.00 C ATOM 1080 C GLY A 71 -0.678 8.728 -15.137 1.00 0.00 C ATOM 1081 O GLY A 71 -1.495 9.641 -15.254 1.00 0.00 O ATOM 0 H GLY A 71 1.990 7.154 -15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.696 9.545 -16.561 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.122 7.937 -16.958 1.00 0.00 H new TER 1085 GLY A 71