USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -145:sc= -0.0816 (180deg=-1.73!) USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -3.55! (180deg=-4.34!) USER MOD Set 2.1: A 20 THR OG1 : rot 81:sc= -0.167 USER MOD Set 2.2: A 51 TYR OH : rot 64:sc= 0.51 USER MOD Single : A 1 ALA N :NH3+ 173:sc= 1.05 (180deg=0.571) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 5 THR OG1 : rot 154:sc= -0.248 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -142:sc= -0.0914 USER MOD Single : A 14 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -1.35 (180deg=-1.39) USER MOD Single : A 18 GLN : amide:sc= 0.37 K(o=0.37,f=-6.6!) USER MOD Single : A 22 SER OG : rot 73:sc= 0.372 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0.586 (180deg=0.0888) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00244) USER MOD Single : A 30 THR OG1 : rot -76:sc= 1.12 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 91:sc= 0.0262 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 47 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.52) USER MOD Single : A 52 TYR OH : rot -105:sc= 0.256 USER MOD Single : A 58 GLN : amide:sc=-0.00693 X(o=-0.0069,f=-0.24) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.11) USER MOD Single : A 69 THR OG1 : rot -28:sc= 0.187 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.130 3.975 -6.288 1.00 0.00 N ATOM 2 CA ALA A 1 -14.279 5.403 -6.552 1.00 0.00 C ATOM 3 C ALA A 1 -15.166 6.073 -5.482 1.00 0.00 C ATOM 4 O ALA A 1 -15.737 7.154 -5.720 1.00 0.00 O ATOM 5 CB ALA A 1 -14.867 5.605 -7.938 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.630 3.526 -7.082 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.584 3.839 -5.413 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.069 3.542 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.296 5.873 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.978 6.671 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.203 5.166 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.843 5.123 -7.993 1.00 0.00 H new ATOM 13 N ASP A 2 -15.240 5.480 -4.294 1.00 0.00 N ATOM 14 CA ASP A 2 -16.086 6.015 -3.226 1.00 0.00 C ATOM 15 C ASP A 2 -15.285 7.049 -2.483 1.00 0.00 C ATOM 16 O ASP A 2 -14.421 6.703 -1.693 1.00 0.00 O ATOM 17 CB ASP A 2 -16.564 4.914 -2.269 1.00 0.00 C ATOM 18 CG ASP A 2 -17.537 5.433 -1.220 1.00 0.00 C ATOM 19 OD1 ASP A 2 -18.740 5.555 -1.522 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.137 5.701 -0.076 1.00 0.00 O ATOM 0 H ASP A 2 -14.728 4.633 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.982 6.458 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.043 4.121 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.702 4.470 -1.772 1.00 0.00 H new ATOM 25 N LYS A 3 -15.574 8.301 -2.785 1.00 0.00 N ATOM 26 CA LYS A 3 -14.803 9.479 -2.355 1.00 0.00 C ATOM 27 C LYS A 3 -14.463 9.548 -0.863 1.00 0.00 C ATOM 28 O LYS A 3 -15.182 9.037 -0.012 1.00 0.00 O ATOM 29 CB LYS A 3 -15.491 10.762 -2.806 1.00 0.00 C ATOM 30 CG LYS A 3 -16.876 10.975 -2.216 1.00 0.00 C ATOM 31 CD LYS A 3 -17.511 12.254 -2.731 1.00 0.00 C ATOM 32 CE LYS A 3 -16.685 13.484 -2.390 1.00 0.00 C ATOM 33 NZ LYS A 3 -17.297 14.719 -2.914 1.00 0.00 N ATOM 0 H LYS A 3 -16.381 8.547 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.838 9.368 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.861 11.611 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.570 10.754 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.513 10.126 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.807 11.014 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.631 12.188 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.509 12.359 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.579 13.562 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.682 13.373 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.704 15.535 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.375 14.656 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.244 14.839 -2.502 1.00 0.00 H new ATOM 47 N GLN A 4 -13.361 10.208 -0.576 1.00 0.00 N ATOM 48 CA GLN A 4 -12.884 10.379 0.777 1.00 0.00 C ATOM 49 C GLN A 4 -13.562 11.625 1.365 1.00 0.00 C ATOM 50 O GLN A 4 -14.261 12.346 0.636 1.00 0.00 O ATOM 51 CB GLN A 4 -11.356 10.546 0.763 1.00 0.00 C ATOM 52 CG GLN A 4 -10.876 11.874 0.217 1.00 0.00 C ATOM 53 CD GLN A 4 -9.383 12.042 0.294 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.612 11.090 0.181 1.00 0.00 O ATOM 55 NE2 GLN A 4 -8.966 13.245 0.544 1.00 0.00 N ATOM 0 H GLN A 4 -12.767 10.644 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.125 9.509 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.981 10.428 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.921 9.744 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.193 11.968 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.355 12.682 0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.636 14.009 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.968 13.426 0.654 1.00 0.00 H new ATOM 64 N THR A 5 -13.367 11.899 2.630 1.00 0.00 N ATOM 65 CA THR A 5 -13.984 13.057 3.212 1.00 0.00 C ATOM 66 C THR A 5 -13.084 14.284 3.010 1.00 0.00 C ATOM 67 O THR A 5 -11.934 14.160 2.533 1.00 0.00 O ATOM 68 CB THR A 5 -14.279 12.856 4.719 1.00 0.00 C ATOM 69 OG1 THR A 5 -13.058 12.772 5.468 1.00 0.00 O ATOM 70 CG2 THR A 5 -15.094 11.586 4.955 1.00 0.00 C ATOM 0 H THR A 5 -12.794 11.344 3.266 1.00 0.00 H new ATOM 0 HA THR A 5 -14.938 13.215 2.708 1.00 0.00 H new ATOM 0 HB THR A 5 -14.855 13.718 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.219 13.064 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.286 11.470 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.042 11.657 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.536 10.723 4.591 1.00 0.00 H new ATOM 78 N HIS A 6 -13.572 15.448 3.392 1.00 0.00 N ATOM 79 CA HIS A 6 -12.821 16.683 3.235 1.00 0.00 C ATOM 80 C HIS A 6 -11.678 16.737 4.266 1.00 0.00 C ATOM 81 O HIS A 6 -10.649 17.383 4.046 1.00 0.00 O ATOM 82 CB HIS A 6 -13.772 17.895 3.382 1.00 0.00 C ATOM 83 CG HIS A 6 -13.136 19.245 3.152 1.00 0.00 C ATOM 84 ND1 HIS A 6 -13.170 19.918 1.953 1.00 0.00 N ATOM 85 CD2 HIS A 6 -12.452 20.045 4.005 1.00 0.00 C ATOM 86 CE1 HIS A 6 -12.520 21.070 2.106 1.00 0.00 C ATOM 87 NE2 HIS A 6 -12.063 21.196 3.337 1.00 0.00 N ATOM 0 H HIS A 6 -14.492 15.567 3.817 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.377 16.719 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.597 17.776 2.680 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.201 17.880 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.243 19.822 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.385 21.804 1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.533 21.979 3.719 1.00 0.00 H new ATOM 95 N GLU A 7 -11.841 15.995 5.354 1.00 0.00 N ATOM 96 CA GLU A 7 -10.863 15.965 6.461 1.00 0.00 C ATOM 97 C GLU A 7 -9.697 15.044 6.118 1.00 0.00 C ATOM 98 O GLU A 7 -8.831 14.774 6.956 1.00 0.00 O ATOM 99 CB GLU A 7 -11.481 15.475 7.791 1.00 0.00 C ATOM 100 CG GLU A 7 -12.887 15.962 8.111 1.00 0.00 C ATOM 101 CD GLU A 7 -13.919 15.207 7.323 1.00 0.00 C ATOM 102 OE1 GLU A 7 -14.171 14.036 7.640 1.00 0.00 O ATOM 103 OE2 GLU A 7 -14.470 15.752 6.354 1.00 0.00 O ATOM 0 H GLU A 7 -12.651 15.393 5.505 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.524 16.993 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.493 14.385 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.822 15.778 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.082 15.843 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.965 17.026 7.890 1.00 0.00 H new ATOM 110 N THR A 8 -9.716 14.555 4.896 1.00 0.00 N ATOM 111 CA THR A 8 -8.712 13.663 4.345 1.00 0.00 C ATOM 112 C THR A 8 -8.854 12.241 4.936 1.00 0.00 C ATOM 113 O THR A 8 -7.984 11.387 4.795 1.00 0.00 O ATOM 114 CB THR A 8 -7.279 14.248 4.525 1.00 0.00 C ATOM 115 OG1 THR A 8 -7.316 15.655 4.192 1.00 0.00 O ATOM 116 CG2 THR A 8 -6.298 13.578 3.579 1.00 0.00 C ATOM 0 H THR A 8 -10.459 14.775 4.232 1.00 0.00 H new ATOM 0 HA THR A 8 -8.879 13.577 3.271 1.00 0.00 H new ATOM 0 HB THR A 8 -6.961 14.082 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.422 16.041 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.305 14.003 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.268 12.508 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.616 13.741 2.549 1.00 0.00 H new ATOM 124 N GLU A 9 -9.985 11.990 5.548 1.00 0.00 N ATOM 125 CA GLU A 9 -10.290 10.681 6.046 1.00 0.00 C ATOM 126 C GLU A 9 -10.839 9.895 4.900 1.00 0.00 C ATOM 127 O GLU A 9 -11.840 10.273 4.286 1.00 0.00 O ATOM 128 CB GLU A 9 -11.264 10.749 7.215 1.00 0.00 C ATOM 129 CG GLU A 9 -10.655 11.345 8.472 1.00 0.00 C ATOM 130 CD GLU A 9 -9.510 10.506 8.997 1.00 0.00 C ATOM 131 OE1 GLU A 9 -9.742 9.630 9.850 1.00 0.00 O ATOM 132 OE2 GLU A 9 -8.359 10.688 8.564 1.00 0.00 O ATOM 0 H GLU A 9 -10.713 12.686 5.712 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.396 10.195 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.130 11.343 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.626 9.745 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.299 12.353 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.423 11.433 9.241 1.00 0.00 H new ATOM 139 N LEU A 10 -10.188 8.845 4.576 1.00 0.00 N ATOM 140 CA LEU A 10 -10.520 8.150 3.396 1.00 0.00 C ATOM 141 C LEU A 10 -11.349 6.949 3.715 1.00 0.00 C ATOM 142 O LEU A 10 -11.542 6.597 4.885 1.00 0.00 O ATOM 143 CB LEU A 10 -9.283 7.701 2.626 1.00 0.00 C ATOM 144 CG LEU A 10 -8.040 8.578 2.652 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.209 8.276 3.883 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.235 8.372 1.392 1.00 0.00 C ATOM 0 H LEU A 10 -9.419 8.447 5.114 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.083 8.843 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.000 6.718 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.573 7.572 1.583 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.343 9.624 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.323 8.911 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.800 8.471 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.905 7.229 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.347 9.004 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.934 7.327 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.841 8.636 0.526 1.00 0.00 H new ATOM 158 N THR A 11 -11.845 6.337 2.700 1.00 0.00 N ATOM 159 CA THR A 11 -12.602 5.149 2.846 1.00 0.00 C ATOM 160 C THR A 11 -11.714 3.985 2.502 1.00 0.00 C ATOM 161 O THR A 11 -10.572 4.189 2.081 1.00 0.00 O ATOM 162 CB THR A 11 -13.827 5.177 1.919 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.366 5.244 0.556 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.666 6.410 2.191 1.00 0.00 C ATOM 0 H THR A 11 -11.735 6.651 1.736 1.00 0.00 H new ATOM 0 HA THR A 11 -12.961 5.058 3.871 1.00 0.00 H new ATOM 0 HB THR A 11 -14.426 4.283 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.954 5.834 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.530 6.416 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.005 6.398 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.067 7.304 2.015 1.00 0.00 H new ATOM 172 N PHE A 12 -12.222 2.784 2.664 1.00 0.00 N ATOM 173 CA PHE A 12 -11.470 1.596 2.338 1.00 0.00 C ATOM 174 C PHE A 12 -11.085 1.616 0.871 1.00 0.00 C ATOM 175 O PHE A 12 -9.972 1.295 0.469 1.00 0.00 O ATOM 176 CB PHE A 12 -12.274 0.329 2.690 1.00 0.00 C ATOM 177 CG PHE A 12 -11.612 -0.962 2.282 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.317 -1.243 2.663 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.300 -1.901 1.528 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.712 -2.425 2.299 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.697 -3.090 1.161 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.397 -3.350 1.551 1.00 0.00 C ATOM 0 H PHE A 12 -13.160 2.605 3.022 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.556 1.579 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.447 0.310 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.251 0.389 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.769 -0.525 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.317 -1.701 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.695 -2.625 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.240 -3.813 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.922 -4.278 1.268 1.00 0.00 H new ATOM 192 N ASP A 13 -12.031 2.113 0.123 1.00 0.00 N ATOM 193 CA ASP A 13 -11.888 2.329 -1.286 1.00 0.00 C ATOM 194 C ASP A 13 -10.851 3.352 -1.600 1.00 0.00 C ATOM 195 O ASP A 13 -10.021 3.151 -2.476 1.00 0.00 O ATOM 196 CB ASP A 13 -13.174 2.739 -1.890 1.00 0.00 C ATOM 197 CG ASP A 13 -13.072 2.767 -3.367 1.00 0.00 C ATOM 198 OD1 ASP A 13 -12.961 1.683 -3.985 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.106 3.857 -3.934 1.00 0.00 O ATOM 0 H ASP A 13 -12.944 2.385 0.487 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.568 1.378 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.961 2.048 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.457 3.725 -1.521 1.00 0.00 H new ATOM 204 N GLN A 14 -10.833 4.404 -0.825 1.00 0.00 N ATOM 205 CA GLN A 14 -9.936 5.492 -1.090 1.00 0.00 C ATOM 206 C GLN A 14 -8.551 5.124 -0.709 1.00 0.00 C ATOM 207 O GLN A 14 -7.585 5.550 -1.328 1.00 0.00 O ATOM 208 CB GLN A 14 -10.363 6.767 -0.434 1.00 0.00 C ATOM 209 CG GLN A 14 -11.583 7.378 -1.038 1.00 0.00 C ATOM 210 CD GLN A 14 -11.391 7.653 -2.497 1.00 0.00 C ATOM 211 OE1 GLN A 14 -10.931 8.716 -2.902 1.00 0.00 O ATOM 212 NE2 GLN A 14 -11.766 6.725 -3.286 1.00 0.00 N ATOM 0 H GLN A 14 -11.429 4.529 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.965 5.680 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.549 6.576 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.544 7.484 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.433 6.709 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.822 8.307 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.143 5.856 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.689 6.851 -4.295 1.00 0.00 H new ATOM 221 N VAL A 15 -8.453 4.342 0.330 1.00 0.00 N ATOM 222 CA VAL A 15 -7.190 3.919 0.814 1.00 0.00 C ATOM 223 C VAL A 15 -6.634 2.947 -0.177 1.00 0.00 C ATOM 224 O VAL A 15 -5.444 2.967 -0.492 1.00 0.00 O ATOM 225 CB VAL A 15 -7.238 3.334 2.232 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.894 2.738 2.539 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.514 4.437 3.238 1.00 0.00 C ATOM 0 H VAL A 15 -9.251 3.986 0.857 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.538 4.787 0.909 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.025 2.582 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.904 2.315 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.671 1.952 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.130 3.513 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.547 4.014 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.722 5.184 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.471 4.906 3.011 1.00 0.00 H new ATOM 237 N LYS A 16 -7.491 2.116 -0.690 1.00 0.00 N ATOM 238 CA LYS A 16 -7.138 1.250 -1.757 1.00 0.00 C ATOM 239 C LYS A 16 -6.609 2.060 -2.907 1.00 0.00 C ATOM 240 O LYS A 16 -5.538 1.787 -3.383 1.00 0.00 O ATOM 241 CB LYS A 16 -8.328 0.399 -2.202 1.00 0.00 C ATOM 242 CG LYS A 16 -8.634 -0.799 -1.307 1.00 0.00 C ATOM 243 CD LYS A 16 -9.744 -1.735 -1.853 1.00 0.00 C ATOM 244 CE LYS A 16 -11.105 -1.041 -2.070 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.182 -0.265 -3.347 1.00 0.00 N ATOM 0 H LYS A 16 -8.457 2.025 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.362 0.569 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.213 1.034 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.140 0.039 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.721 -1.378 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.932 -0.436 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.411 -2.162 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.878 -2.565 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.893 -1.794 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.299 -0.369 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.857 0.519 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.243 0.117 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.500 -0.890 -4.115 1.00 0.00 H new ATOM 259 N GLU A 17 -7.324 3.091 -3.297 1.00 0.00 N ATOM 260 CA GLU A 17 -6.859 3.943 -4.361 1.00 0.00 C ATOM 261 C GLU A 17 -5.531 4.658 -4.036 1.00 0.00 C ATOM 262 O GLU A 17 -4.746 4.915 -4.958 1.00 0.00 O ATOM 263 CB GLU A 17 -7.921 4.931 -4.861 1.00 0.00 C ATOM 264 CG GLU A 17 -9.151 4.266 -5.473 1.00 0.00 C ATOM 265 CD GLU A 17 -9.998 5.224 -6.300 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.078 5.032 -7.538 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.562 6.199 -5.755 1.00 0.00 O ATOM 0 H GLU A 17 -8.223 3.356 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.655 3.261 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.237 5.560 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.469 5.589 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.832 3.436 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.763 3.844 -4.676 1.00 0.00 H new ATOM 274 N GLN A 18 -5.241 4.941 -2.726 1.00 0.00 N ATOM 275 CA GLN A 18 -4.008 5.642 -2.380 1.00 0.00 C ATOM 276 C GLN A 18 -2.858 4.724 -2.612 1.00 0.00 C ATOM 277 O GLN A 18 -1.930 5.022 -3.357 1.00 0.00 O ATOM 278 CB GLN A 18 -4.017 6.289 -0.954 1.00 0.00 C ATOM 279 CG GLN A 18 -3.807 5.365 0.219 1.00 0.00 C ATOM 280 CD GLN A 18 -3.648 6.082 1.551 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.984 5.588 2.441 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.222 7.242 1.691 1.00 0.00 N ATOM 0 H GLN A 18 -5.835 4.695 -1.934 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.909 6.507 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.242 7.055 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.972 6.797 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.653 4.681 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.920 4.759 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.774 7.633 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.120 7.759 2.564 1.00 0.00 H new ATOM 291 N LEU A 19 -2.986 3.580 -2.026 1.00 0.00 N ATOM 292 CA LEU A 19 -2.011 2.562 -2.042 1.00 0.00 C ATOM 293 C LEU A 19 -1.790 2.033 -3.436 1.00 0.00 C ATOM 294 O LEU A 19 -0.665 1.724 -3.819 1.00 0.00 O ATOM 295 CB LEU A 19 -2.469 1.490 -1.117 1.00 0.00 C ATOM 296 CG LEU A 19 -2.269 1.728 0.386 1.00 0.00 C ATOM 297 CD1 LEU A 19 -2.895 0.617 1.174 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.789 1.858 0.741 1.00 0.00 C ATOM 0 H LEU A 19 -3.821 3.325 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.049 2.956 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.531 1.322 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.952 0.569 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.757 2.668 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.746 0.797 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.963 0.575 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.432 -0.330 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.685 2.026 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.267 0.942 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.357 2.699 0.199 1.00 0.00 H new ATOM 310 N THR A 20 -2.860 1.987 -4.195 1.00 0.00 N ATOM 311 CA THR A 20 -2.790 1.598 -5.564 1.00 0.00 C ATOM 312 C THR A 20 -1.873 2.529 -6.319 1.00 0.00 C ATOM 313 O THR A 20 -0.895 2.081 -6.891 1.00 0.00 O ATOM 314 CB THR A 20 -4.205 1.579 -6.188 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.925 0.452 -5.688 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.189 1.583 -7.719 1.00 0.00 C ATOM 0 H THR A 20 -3.799 2.220 -3.871 1.00 0.00 H new ATOM 0 HA THR A 20 -2.381 0.590 -5.630 1.00 0.00 H new ATOM 0 HB THR A 20 -4.706 2.501 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.285 0.661 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.213 1.569 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.684 2.481 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.659 0.702 -8.080 1.00 0.00 H new ATOM 324 N GLU A 21 -2.114 3.815 -6.191 1.00 0.00 N ATOM 325 CA GLU A 21 -1.375 4.815 -6.938 1.00 0.00 C ATOM 326 C GLU A 21 0.094 4.795 -6.545 1.00 0.00 C ATOM 327 O GLU A 21 0.987 4.835 -7.397 1.00 0.00 O ATOM 328 CB GLU A 21 -1.993 6.181 -6.706 1.00 0.00 C ATOM 329 CG GLU A 21 -1.368 7.298 -7.518 1.00 0.00 C ATOM 330 CD GLU A 21 -2.024 8.626 -7.271 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.133 8.856 -7.776 1.00 0.00 O ATOM 332 OE2 GLU A 21 -1.424 9.483 -6.596 1.00 0.00 O ATOM 0 H GLU A 21 -2.825 4.199 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.431 4.588 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.056 6.130 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.911 6.428 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.308 7.370 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.437 7.054 -8.578 1.00 0.00 H new ATOM 339 N SER A 22 0.317 4.680 -5.255 1.00 0.00 N ATOM 340 CA SER A 22 1.657 4.636 -4.704 1.00 0.00 C ATOM 341 C SER A 22 2.417 3.433 -5.267 1.00 0.00 C ATOM 342 O SER A 22 3.531 3.572 -5.787 1.00 0.00 O ATOM 343 CB SER A 22 1.598 4.566 -3.177 1.00 0.00 C ATOM 344 OG SER A 22 0.934 5.697 -2.634 1.00 0.00 O ATOM 0 H SER A 22 -0.424 4.614 -4.557 1.00 0.00 H new ATOM 0 HA SER A 22 2.186 5.546 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.080 3.657 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.609 4.507 -2.774 1.00 0.00 H new ATOM 0 HG SER A 22 -0.028 5.628 -2.810 1.00 0.00 H new ATOM 350 N GLY A 23 1.779 2.272 -5.231 1.00 0.00 N ATOM 351 CA GLY A 23 2.370 1.061 -5.738 1.00 0.00 C ATOM 352 C GLY A 23 2.629 1.136 -7.224 1.00 0.00 C ATOM 353 O GLY A 23 3.607 0.614 -7.706 1.00 0.00 O ATOM 0 H GLY A 23 0.841 2.152 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.307 0.869 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.710 0.220 -5.527 1.00 0.00 H new ATOM 357 N LYS A 24 1.732 1.797 -7.926 1.00 0.00 N ATOM 358 CA LYS A 24 1.849 1.994 -9.372 1.00 0.00 C ATOM 359 C LYS A 24 3.054 2.858 -9.736 1.00 0.00 C ATOM 360 O LYS A 24 3.677 2.665 -10.779 1.00 0.00 O ATOM 361 CB LYS A 24 0.575 2.606 -9.909 1.00 0.00 C ATOM 362 CG LYS A 24 -0.659 1.718 -9.733 1.00 0.00 C ATOM 363 CD LYS A 24 -0.799 0.600 -10.757 1.00 0.00 C ATOM 364 CE LYS A 24 -1.002 1.153 -12.144 1.00 0.00 C ATOM 365 NZ LYS A 24 -1.365 0.119 -13.129 1.00 0.00 N ATOM 0 H LYS A 24 0.897 2.217 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 24 2.005 1.018 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.401 3.558 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.706 2.824 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.631 1.276 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.549 2.346 -9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.093 -0.026 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.642 -0.038 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.785 1.911 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.088 1.651 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.071 0.425 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.886 -0.772 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.395 -0.027 -13.116 1.00 0.00 H new ATOM 379 N LYS A 25 3.383 3.807 -8.881 1.00 0.00 N ATOM 380 CA LYS A 25 4.528 4.678 -9.086 1.00 0.00 C ATOM 381 C LYS A 25 5.821 3.948 -8.798 1.00 0.00 C ATOM 382 O LYS A 25 6.818 4.090 -9.510 1.00 0.00 O ATOM 383 CB LYS A 25 4.418 5.903 -8.173 1.00 0.00 C ATOM 384 CG LYS A 25 3.244 6.820 -8.489 1.00 0.00 C ATOM 385 CD LYS A 25 3.084 7.936 -7.453 1.00 0.00 C ATOM 386 CE LYS A 25 4.329 8.816 -7.312 1.00 0.00 C ATOM 387 NZ LYS A 25 4.709 9.486 -8.575 1.00 0.00 N ATOM 0 H LYS A 25 2.865 3.997 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 25 4.533 4.995 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.331 5.565 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.341 6.478 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.385 7.261 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.327 6.232 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.236 8.561 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.850 7.493 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.149 9.571 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.162 8.204 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.547 10.080 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.926 8.769 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.921 10.080 -8.903 1.00 0.00 H new ATOM 401 N ARG A 26 5.789 3.171 -7.755 1.00 0.00 N ATOM 402 CA ARG A 26 6.979 2.498 -7.258 1.00 0.00 C ATOM 403 C ARG A 26 7.267 1.211 -7.999 1.00 0.00 C ATOM 404 O ARG A 26 8.399 0.930 -8.395 1.00 0.00 O ATOM 405 CB ARG A 26 6.824 2.181 -5.784 1.00 0.00 C ATOM 406 CG ARG A 26 6.519 3.371 -4.910 1.00 0.00 C ATOM 407 CD ARG A 26 6.317 2.930 -3.485 1.00 0.00 C ATOM 408 NE ARG A 26 7.552 2.453 -2.882 1.00 0.00 N ATOM 409 CZ ARG A 26 7.634 1.671 -1.820 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.530 1.334 -1.147 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.828 1.276 -1.421 1.00 0.00 N ATOM 0 H ARG A 26 4.944 2.979 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 26 7.813 3.181 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.026 1.448 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.742 1.713 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.336 4.090 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.624 3.878 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.926 3.762 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.569 2.138 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 26 8.428 2.747 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.621 1.681 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.597 0.730 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.660 1.575 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.919 0.672 -0.604 1.00 0.00 H new ATOM 425 N GLY A 27 6.214 0.439 -8.162 1.00 0.00 N ATOM 426 CA GLY A 27 6.286 -0.866 -8.734 1.00 0.00 C ATOM 427 C GLY A 27 6.297 -1.880 -7.628 1.00 0.00 C ATOM 428 O GLY A 27 6.499 -3.083 -7.852 1.00 0.00 O ATOM 0 H GLY A 27 5.271 0.717 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.435 -1.036 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.185 -0.962 -9.343 1.00 0.00 H new ATOM 432 N VAL A 28 6.035 -1.398 -6.420 1.00 0.00 N ATOM 433 CA VAL A 28 6.136 -2.210 -5.253 1.00 0.00 C ATOM 434 C VAL A 28 5.438 -1.553 -4.077 1.00 0.00 C ATOM 435 O VAL A 28 5.214 -0.338 -4.078 1.00 0.00 O ATOM 436 CB VAL A 28 7.626 -2.424 -4.910 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.289 -1.180 -4.346 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.833 -3.616 -4.053 1.00 0.00 C ATOM 0 H VAL A 28 5.749 -0.435 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 28 5.655 -3.168 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 28 8.131 -2.624 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.335 -1.394 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.230 -0.373 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.779 -0.879 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.895 -3.728 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.283 -3.493 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.473 -4.504 -4.572 1.00 0.00 H new ATOM 448 N LEU A 29 5.061 -2.377 -3.128 1.00 0.00 N ATOM 449 CA LEU A 29 4.490 -1.978 -1.868 1.00 0.00 C ATOM 450 C LEU A 29 4.800 -3.045 -0.836 1.00 0.00 C ATOM 451 O LEU A 29 4.669 -4.223 -1.129 1.00 0.00 O ATOM 452 CB LEU A 29 2.971 -1.855 -1.961 1.00 0.00 C ATOM 453 CG LEU A 29 2.376 -0.657 -2.681 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.877 -0.813 -2.765 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.712 0.623 -1.948 1.00 0.00 C ATOM 0 H LEU A 29 5.149 -3.389 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 29 4.913 -1.012 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.597 -2.754 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.577 -1.858 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 29 2.798 -0.606 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.450 0.047 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.636 -1.723 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.461 -0.875 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.278 1.471 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.306 0.581 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.794 0.741 -1.900 1.00 0.00 H new ATOM 467 N THR A 30 5.266 -2.652 0.315 1.00 0.00 N ATOM 468 CA THR A 30 5.422 -3.579 1.416 1.00 0.00 C ATOM 469 C THR A 30 4.038 -3.922 2.008 1.00 0.00 C ATOM 470 O THR A 30 3.145 -3.069 2.036 1.00 0.00 O ATOM 471 CB THR A 30 6.333 -3.019 2.537 1.00 0.00 C ATOM 472 OG1 THR A 30 5.886 -1.745 2.990 1.00 0.00 O ATOM 473 CG2 THR A 30 7.768 -2.927 2.102 1.00 0.00 C ATOM 0 H THR A 30 5.547 -1.694 0.523 1.00 0.00 H new ATOM 0 HA THR A 30 5.900 -4.474 1.018 1.00 0.00 H new ATOM 0 HB THR A 30 6.270 -3.726 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.130 -1.060 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.371 -2.530 2.918 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.131 -3.919 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.845 -2.266 1.239 1.00 0.00 H new ATOM 481 N TYR A 31 3.867 -5.150 2.476 1.00 0.00 N ATOM 482 CA TYR A 31 2.582 -5.595 3.041 1.00 0.00 C ATOM 483 C TYR A 31 2.141 -4.756 4.211 1.00 0.00 C ATOM 484 O TYR A 31 0.961 -4.419 4.329 1.00 0.00 O ATOM 485 CB TYR A 31 2.607 -7.059 3.496 1.00 0.00 C ATOM 486 CG TYR A 31 2.726 -8.063 2.396 1.00 0.00 C ATOM 487 CD1 TYR A 31 3.824 -8.880 2.304 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.738 -8.188 1.448 1.00 0.00 C ATOM 489 CE1 TYR A 31 3.944 -9.798 1.295 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.840 -9.104 0.437 1.00 0.00 C ATOM 491 CZ TYR A 31 2.949 -9.907 0.363 1.00 0.00 C ATOM 492 OH TYR A 31 3.061 -10.824 -0.652 1.00 0.00 O ATOM 0 H TYR A 31 4.596 -5.863 2.480 1.00 0.00 H new ATOM 0 HA TYR A 31 1.873 -5.482 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.442 -7.195 4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.695 -7.264 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.609 -8.798 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.867 -7.552 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.817 -10.431 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.053 -9.194 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 31 2.269 -10.774 -1.227 1.00 0.00 H new ATOM 502 N GLU A 32 3.070 -4.376 5.051 1.00 0.00 N ATOM 503 CA GLU A 32 2.687 -3.707 6.253 1.00 0.00 C ATOM 504 C GLU A 32 2.332 -2.233 6.027 1.00 0.00 C ATOM 505 O GLU A 32 1.541 -1.676 6.773 1.00 0.00 O ATOM 506 CB GLU A 32 3.675 -3.955 7.405 1.00 0.00 C ATOM 507 CG GLU A 32 3.139 -3.505 8.756 1.00 0.00 C ATOM 508 CD GLU A 32 3.816 -4.166 9.924 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.356 -5.247 10.355 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.792 -3.620 10.467 1.00 0.00 O ATOM 0 H GLU A 32 4.072 -4.517 4.924 1.00 0.00 H new ATOM 0 HA GLU A 32 1.754 -4.163 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.912 -5.018 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.607 -3.429 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.257 -2.425 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.070 -3.714 8.801 1.00 0.00 H new ATOM 517 N GLU A 33 2.823 -1.620 4.945 1.00 0.00 N ATOM 518 CA GLU A 33 2.442 -0.236 4.680 1.00 0.00 C ATOM 519 C GLU A 33 1.032 -0.241 4.104 1.00 0.00 C ATOM 520 O GLU A 33 0.276 0.727 4.219 1.00 0.00 O ATOM 521 CB GLU A 33 3.432 0.484 3.745 1.00 0.00 C ATOM 522 CG GLU A 33 3.425 0.011 2.302 1.00 0.00 C ATOM 523 CD GLU A 33 4.457 0.709 1.471 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.494 0.072 1.094 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.288 1.905 1.199 1.00 0.00 O ATOM 0 H GLU A 33 3.458 -2.041 4.267 1.00 0.00 H new ATOM 0 HA GLU A 33 2.468 0.326 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.210 1.551 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.438 0.361 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.604 -1.064 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.438 0.181 1.871 1.00 0.00 H new ATOM 532 N ILE A 34 0.687 -1.368 3.502 1.00 0.00 N ATOM 533 CA ILE A 34 -0.627 -1.598 2.985 1.00 0.00 C ATOM 534 C ILE A 34 -1.588 -1.831 4.138 1.00 0.00 C ATOM 535 O ILE A 34 -2.667 -1.238 4.194 1.00 0.00 O ATOM 536 CB ILE A 34 -0.646 -2.804 2.018 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.257 -2.526 0.819 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.066 -3.108 1.561 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.427 -3.705 -0.102 1.00 0.00 C ATOM 0 H ILE A 34 1.328 -2.149 3.364 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.938 -0.718 2.422 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.268 -3.679 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.155 -1.691 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.237 -2.214 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.055 -3.960 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.685 -3.343 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.477 -2.239 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.081 -3.429 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.868 -4.536 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.545 -4.004 -0.493 1.00 0.00 H new ATOM 551 N ALA A 35 -1.154 -2.637 5.128 1.00 0.00 N ATOM 552 CA ALA A 35 -1.932 -2.994 6.298 1.00 0.00 C ATOM 553 C ALA A 35 -2.133 -1.797 7.198 1.00 0.00 C ATOM 554 O ALA A 35 -3.156 -1.665 7.872 1.00 0.00 O ATOM 555 CB ALA A 35 -1.265 -4.128 7.050 1.00 0.00 C ATOM 0 H ALA A 35 -0.226 -3.061 5.121 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.914 -3.332 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.861 -4.384 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.184 -4.998 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.269 -3.818 7.367 1.00 0.00 H new ATOM 561 N GLU A 36 -1.144 -0.923 7.163 1.00 0.00 N ATOM 562 CA GLU A 36 -1.036 0.262 7.984 1.00 0.00 C ATOM 563 C GLU A 36 -2.236 1.146 7.797 1.00 0.00 C ATOM 564 O GLU A 36 -2.915 1.506 8.747 1.00 0.00 O ATOM 565 CB GLU A 36 0.205 1.011 7.522 1.00 0.00 C ATOM 566 CG GLU A 36 0.536 2.284 8.255 1.00 0.00 C ATOM 567 CD GLU A 36 1.699 2.984 7.610 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.856 2.654 7.912 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.479 3.875 6.776 1.00 0.00 O ATOM 0 H GLU A 36 -0.354 -1.029 6.526 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.975 -0.014 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.059 0.339 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.086 1.248 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.333 2.942 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.772 2.059 9.295 1.00 0.00 H new ATOM 576 N ARG A 37 -2.508 1.464 6.559 1.00 0.00 N ATOM 577 CA ARG A 37 -3.587 2.351 6.205 1.00 0.00 C ATOM 578 C ARG A 37 -4.940 1.664 6.396 1.00 0.00 C ATOM 579 O ARG A 37 -5.940 2.299 6.699 1.00 0.00 O ATOM 580 CB ARG A 37 -3.400 2.783 4.758 1.00 0.00 C ATOM 581 CG ARG A 37 -1.995 3.287 4.439 1.00 0.00 C ATOM 582 CD ARG A 37 -1.639 4.550 5.209 1.00 0.00 C ATOM 583 NE ARG A 37 -0.225 4.910 5.027 1.00 0.00 N ATOM 584 CZ ARG A 37 0.240 5.862 4.205 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.574 6.462 3.350 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.534 6.181 4.219 1.00 0.00 N ATOM 0 H ARG A 37 -1.982 1.112 5.759 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.572 3.226 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.630 1.941 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.118 3.570 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.271 2.507 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.917 3.483 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.271 5.372 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.844 4.401 6.269 1.00 0.00 H new ATOM 0 HE ARG A 37 0.462 4.390 5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.559 6.201 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.216 7.186 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.171 5.701 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.888 6.905 3.594 1.00 0.00 H new ATOM 600 N MET A 38 -4.942 0.343 6.296 1.00 0.00 N ATOM 601 CA MET A 38 -6.178 -0.430 6.419 1.00 0.00 C ATOM 602 C MET A 38 -6.524 -0.670 7.870 1.00 0.00 C ATOM 603 O MET A 38 -7.568 -1.220 8.184 1.00 0.00 O ATOM 604 CB MET A 38 -6.075 -1.774 5.703 1.00 0.00 C ATOM 605 CG MET A 38 -5.759 -1.673 4.233 1.00 0.00 C ATOM 606 SD MET A 38 -6.973 -0.723 3.316 1.00 0.00 S ATOM 607 CE MET A 38 -6.346 -0.928 1.658 1.00 0.00 C ATOM 0 H MET A 38 -4.107 -0.218 6.131 1.00 0.00 H new ATOM 0 HA MET A 38 -6.966 0.159 5.950 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.304 -2.372 6.188 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.017 -2.310 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.778 -1.214 4.109 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.697 -2.676 3.811 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.520 -0.015 1.088 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.276 -1.134 1.696 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.858 -1.760 1.176 1.00 0.00 H new ATOM 617 N SER A 39 -5.661 -0.209 8.752 1.00 0.00 N ATOM 618 CA SER A 39 -5.842 -0.347 10.181 1.00 0.00 C ATOM 619 C SER A 39 -6.943 0.628 10.652 1.00 0.00 C ATOM 620 O SER A 39 -7.447 0.550 11.775 1.00 0.00 O ATOM 621 CB SER A 39 -4.501 -0.071 10.866 1.00 0.00 C ATOM 622 OG SER A 39 -4.470 -0.469 12.222 1.00 0.00 O ATOM 0 H SER A 39 -4.803 0.278 8.492 1.00 0.00 H new ATOM 0 HA SER A 39 -6.162 -1.356 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.711 -0.591 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.282 0.995 10.803 1.00 0.00 H new ATOM 0 HG SER A 39 -3.589 -0.268 12.602 1.00 0.00 H new ATOM 628 N SER A 40 -7.321 1.548 9.764 1.00 0.00 N ATOM 629 CA SER A 40 -8.410 2.450 10.023 1.00 0.00 C ATOM 630 C SER A 40 -9.739 1.697 9.882 1.00 0.00 C ATOM 631 O SER A 40 -10.780 2.101 10.422 1.00 0.00 O ATOM 632 CB SER A 40 -8.338 3.599 9.032 1.00 0.00 C ATOM 633 OG SER A 40 -7.051 4.194 9.066 1.00 0.00 O ATOM 0 H SER A 40 -6.876 1.677 8.855 1.00 0.00 H new ATOM 0 HA SER A 40 -8.343 2.847 11.036 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.553 3.236 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.097 4.343 9.271 1.00 0.00 H new ATOM 0 HG SER A 40 -6.471 3.758 8.407 1.00 0.00 H new ATOM 639 N PHE A 41 -9.682 0.610 9.149 1.00 0.00 N ATOM 640 CA PHE A 41 -10.818 -0.247 8.895 1.00 0.00 C ATOM 641 C PHE A 41 -10.560 -1.582 9.557 1.00 0.00 C ATOM 642 O PHE A 41 -9.569 -1.739 10.273 1.00 0.00 O ATOM 643 CB PHE A 41 -10.935 -0.452 7.381 1.00 0.00 C ATOM 644 CG PHE A 41 -10.750 0.820 6.640 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.645 0.986 5.841 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.626 1.879 6.808 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.405 2.174 5.219 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.399 3.074 6.174 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.282 3.221 5.384 1.00 0.00 C ATOM 0 H PHE A 41 -8.824 0.289 8.701 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.735 0.194 9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.189 -1.176 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.913 -0.872 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.958 0.164 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.493 1.764 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.529 2.293 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.092 3.894 6.294 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.093 4.163 4.891 1.00 0.00 H new ATOM 659 N GLU A 42 -11.422 -2.527 9.332 1.00 0.00 N ATOM 660 CA GLU A 42 -11.221 -3.858 9.838 1.00 0.00 C ATOM 661 C GLU A 42 -11.049 -4.796 8.666 1.00 0.00 C ATOM 662 O GLU A 42 -12.022 -5.338 8.136 1.00 0.00 O ATOM 663 CB GLU A 42 -12.379 -4.305 10.718 1.00 0.00 C ATOM 664 CG GLU A 42 -12.570 -3.479 11.966 1.00 0.00 C ATOM 665 CD GLU A 42 -13.665 -4.026 12.817 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.830 -3.642 12.624 1.00 0.00 O ATOM 667 OE2 GLU A 42 -13.393 -4.876 13.684 1.00 0.00 O ATOM 0 H GLU A 42 -12.281 -2.402 8.796 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.327 -3.870 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.298 -4.273 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.220 -5.344 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.641 -3.457 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.800 -2.450 11.691 1.00 0.00 H new ATOM 674 N ILE A 43 -9.835 -4.926 8.210 1.00 0.00 N ATOM 675 CA ILE A 43 -9.552 -5.705 7.043 1.00 0.00 C ATOM 676 C ILE A 43 -8.688 -6.893 7.398 1.00 0.00 C ATOM 677 O ILE A 43 -7.553 -6.746 7.851 1.00 0.00 O ATOM 678 CB ILE A 43 -8.807 -4.862 6.006 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.496 -3.527 5.792 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.659 -5.606 4.686 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.894 -3.629 5.240 1.00 0.00 C ATOM 0 H ILE A 43 -9.016 -4.494 8.638 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.502 -6.046 6.632 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.807 -4.673 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.532 -2.994 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.893 -2.926 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.125 -4.978 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.099 -6.527 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.646 -5.846 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.311 -2.629 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.868 -4.131 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.516 -4.200 5.929 1.00 0.00 H new ATOM 693 N GLU A 44 -9.237 -8.040 7.193 1.00 0.00 N ATOM 694 CA GLU A 44 -8.563 -9.300 7.414 1.00 0.00 C ATOM 695 C GLU A 44 -7.605 -9.608 6.284 1.00 0.00 C ATOM 696 O GLU A 44 -7.685 -9.011 5.196 1.00 0.00 O ATOM 697 CB GLU A 44 -9.599 -10.404 7.504 1.00 0.00 C ATOM 698 CG GLU A 44 -10.526 -10.258 8.677 1.00 0.00 C ATOM 699 CD GLU A 44 -9.821 -10.475 9.986 1.00 0.00 C ATOM 700 OE1 GLU A 44 -9.645 -11.632 10.398 1.00 0.00 O ATOM 701 OE2 GLU A 44 -9.424 -9.491 10.627 1.00 0.00 O ATOM 0 H GLU A 44 -10.194 -8.145 6.857 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.994 -9.234 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.186 -10.417 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.090 -11.365 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.970 -9.263 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.344 -10.973 8.583 1.00 0.00 H new ATOM 708 N SER A 45 -6.744 -10.556 6.535 1.00 0.00 N ATOM 709 CA SER A 45 -5.766 -11.033 5.596 1.00 0.00 C ATOM 710 C SER A 45 -6.438 -11.559 4.317 1.00 0.00 C ATOM 711 O SER A 45 -5.933 -11.363 3.220 1.00 0.00 O ATOM 712 CB SER A 45 -4.966 -12.104 6.302 1.00 0.00 C ATOM 713 OG SER A 45 -5.855 -12.946 7.031 1.00 0.00 O ATOM 0 H SER A 45 -6.703 -11.036 7.434 1.00 0.00 H new ATOM 0 HA SER A 45 -5.107 -10.228 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.402 -12.691 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.241 -11.649 6.977 1.00 0.00 H new ATOM 0 HG SER A 45 -5.342 -13.644 7.490 1.00 0.00 H new ATOM 719 N ASP A 46 -7.601 -12.180 4.482 1.00 0.00 N ATOM 720 CA ASP A 46 -8.420 -12.678 3.366 1.00 0.00 C ATOM 721 C ASP A 46 -8.788 -11.551 2.424 1.00 0.00 C ATOM 722 O ASP A 46 -8.687 -11.676 1.204 1.00 0.00 O ATOM 723 CB ASP A 46 -9.717 -13.286 3.887 1.00 0.00 C ATOM 724 CG ASP A 46 -9.527 -14.520 4.714 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.034 -14.424 5.857 1.00 0.00 O ATOM 726 OD2 ASP A 46 -9.906 -15.619 4.252 1.00 0.00 O ATOM 0 H ASP A 46 -8.011 -12.357 5.399 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.830 -13.429 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.241 -12.539 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.359 -13.525 3.039 1.00 0.00 H new ATOM 731 N GLN A 47 -9.201 -10.445 3.000 1.00 0.00 N ATOM 732 CA GLN A 47 -9.638 -9.288 2.240 1.00 0.00 C ATOM 733 C GLN A 47 -8.417 -8.611 1.648 1.00 0.00 C ATOM 734 O GLN A 47 -8.437 -8.130 0.517 1.00 0.00 O ATOM 735 CB GLN A 47 -10.349 -8.319 3.153 1.00 0.00 C ATOM 736 CG GLN A 47 -11.358 -8.967 4.083 1.00 0.00 C ATOM 737 CD GLN A 47 -12.040 -7.963 4.973 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.370 -8.260 6.112 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.297 -6.795 4.458 1.00 0.00 N ATOM 0 H GLN A 47 -9.245 -10.319 4.011 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.319 -9.601 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.607 -7.790 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.859 -7.572 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.107 -9.494 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.855 -9.713 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.006 -6.583 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.789 -6.092 5.009 1.00 0.00 H new ATOM 748 N MET A 48 -7.347 -8.581 2.440 1.00 0.00 N ATOM 749 CA MET A 48 -6.072 -8.044 2.001 1.00 0.00 C ATOM 750 C MET A 48 -5.563 -8.783 0.769 1.00 0.00 C ATOM 751 O MET A 48 -5.084 -8.162 -0.152 1.00 0.00 O ATOM 752 CB MET A 48 -5.019 -8.087 3.119 1.00 0.00 C ATOM 753 CG MET A 48 -5.146 -7.017 4.212 1.00 0.00 C ATOM 754 SD MET A 48 -4.413 -5.394 3.780 1.00 0.00 S ATOM 755 CE MET A 48 -5.385 -4.849 2.376 1.00 0.00 C ATOM 0 H MET A 48 -7.345 -8.928 3.399 1.00 0.00 H new ATOM 0 HA MET A 48 -6.239 -6.999 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.063 -9.068 3.593 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.033 -7.996 2.664 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.202 -6.874 4.441 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.669 -7.386 5.120 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.186 -3.795 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.117 -5.436 1.498 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.445 -4.984 2.593 1.00 0.00 H new ATOM 765 N ASP A 49 -5.695 -10.109 0.779 1.00 0.00 N ATOM 766 CA ASP A 49 -5.301 -11.004 -0.348 1.00 0.00 C ATOM 767 C ASP A 49 -5.953 -10.556 -1.632 1.00 0.00 C ATOM 768 O ASP A 49 -5.299 -10.444 -2.668 1.00 0.00 O ATOM 769 CB ASP A 49 -5.746 -12.433 -0.032 1.00 0.00 C ATOM 770 CG ASP A 49 -5.371 -13.458 -1.083 1.00 0.00 C ATOM 771 OD1 ASP A 49 -6.131 -13.656 -2.051 1.00 0.00 O ATOM 772 OD2 ASP A 49 -4.350 -14.142 -0.911 1.00 0.00 O ATOM 0 H ASP A 49 -6.083 -10.615 1.575 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.219 -10.963 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.310 -12.733 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.828 -12.442 0.096 1.00 0.00 H new ATOM 777 N GLU A 50 -7.240 -10.263 -1.544 1.00 0.00 N ATOM 778 CA GLU A 50 -8.007 -9.768 -2.673 1.00 0.00 C ATOM 779 C GLU A 50 -7.401 -8.465 -3.197 1.00 0.00 C ATOM 780 O GLU A 50 -7.316 -8.243 -4.405 1.00 0.00 O ATOM 781 CB GLU A 50 -9.462 -9.545 -2.267 1.00 0.00 C ATOM 782 CG GLU A 50 -10.246 -10.815 -1.991 1.00 0.00 C ATOM 783 CD GLU A 50 -10.485 -11.624 -3.242 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.210 -11.145 -4.137 1.00 0.00 O ATOM 785 OE2 GLU A 50 -9.975 -12.752 -3.352 1.00 0.00 O ATOM 0 H GLU A 50 -7.782 -10.362 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.975 -10.513 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.484 -8.920 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.965 -8.989 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.705 -11.423 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.204 -10.557 -1.539 1.00 0.00 H new ATOM 792 N TYR A 51 -6.992 -7.599 -2.282 1.00 0.00 N ATOM 793 CA TYR A 51 -6.343 -6.360 -2.655 1.00 0.00 C ATOM 794 C TYR A 51 -4.944 -6.640 -3.219 1.00 0.00 C ATOM 795 O TYR A 51 -4.520 -5.979 -4.163 1.00 0.00 O ATOM 796 CB TYR A 51 -6.313 -5.379 -1.493 1.00 0.00 C ATOM 797 CG TYR A 51 -5.746 -4.038 -1.866 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.179 -3.372 -3.014 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.785 -3.431 -1.081 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.655 -2.154 -3.356 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.264 -2.207 -1.423 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.702 -1.579 -2.561 1.00 0.00 C ATOM 803 OH TYR A 51 -4.165 -0.388 -2.918 1.00 0.00 O ATOM 0 H TYR A 51 -7.100 -7.735 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.926 -5.885 -3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.326 -5.245 -1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.721 -5.804 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.936 -3.822 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.438 -3.926 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.993 -1.650 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.514 -1.742 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.863 0.300 -2.912 1.00 0.00 H new ATOM 813 N TYR A 52 -4.226 -7.602 -2.655 1.00 0.00 N ATOM 814 CA TYR A 52 -2.879 -7.942 -3.110 1.00 0.00 C ATOM 815 C TYR A 52 -2.909 -8.432 -4.531 1.00 0.00 C ATOM 816 O TYR A 52 -2.077 -8.055 -5.356 1.00 0.00 O ATOM 817 CB TYR A 52 -2.189 -8.974 -2.194 1.00 0.00 C ATOM 818 CG TYR A 52 -1.969 -8.496 -0.771 1.00 0.00 C ATOM 819 CD1 TYR A 52 -2.115 -9.359 0.303 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.641 -7.174 -0.501 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.942 -8.921 1.599 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.464 -6.734 0.786 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.616 -7.608 1.837 1.00 0.00 C ATOM 824 OH TYR A 52 -1.447 -7.164 3.135 1.00 0.00 O ATOM 0 H TYR A 52 -4.556 -8.168 -1.873 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.287 -7.028 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.791 -9.882 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.226 -9.241 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.369 -10.393 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.523 -6.479 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.062 -9.608 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.206 -5.702 0.974 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.228 -6.637 3.405 1.00 0.00 H new ATOM 834 N GLU A 53 -3.916 -9.243 -4.821 1.00 0.00 N ATOM 835 CA GLU A 53 -4.150 -9.776 -6.135 1.00 0.00 C ATOM 836 C GLU A 53 -4.432 -8.629 -7.089 1.00 0.00 C ATOM 837 O GLU A 53 -3.852 -8.554 -8.176 1.00 0.00 O ATOM 838 CB GLU A 53 -5.365 -10.692 -6.082 1.00 0.00 C ATOM 839 CG GLU A 53 -5.514 -11.591 -7.280 1.00 0.00 C ATOM 840 CD GLU A 53 -4.414 -12.603 -7.331 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.571 -13.684 -6.738 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.366 -12.335 -7.948 1.00 0.00 O ATOM 0 H GLU A 53 -4.601 -9.549 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.278 -10.334 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.302 -11.308 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.263 -10.081 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.478 -12.098 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.505 -10.993 -8.191 1.00 0.00 H new ATOM 849 N PHE A 54 -5.294 -7.717 -6.642 1.00 0.00 N ATOM 850 CA PHE A 54 -5.643 -6.536 -7.382 1.00 0.00 C ATOM 851 C PHE A 54 -4.387 -5.749 -7.752 1.00 0.00 C ATOM 852 O PHE A 54 -4.146 -5.471 -8.926 1.00 0.00 O ATOM 853 CB PHE A 54 -6.628 -5.683 -6.556 1.00 0.00 C ATOM 854 CG PHE A 54 -6.827 -4.290 -7.057 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.779 -3.993 -8.009 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.045 -3.274 -6.564 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.935 -2.696 -8.456 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.191 -1.995 -6.998 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.130 -1.698 -7.942 1.00 0.00 C ATOM 0 H PHE A 54 -5.768 -7.792 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.134 -6.819 -8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.594 -6.188 -6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.271 -5.636 -5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.405 -4.778 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.299 -3.497 -5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.681 -2.464 -9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.564 -1.213 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.244 -0.681 -8.288 1.00 0.00 H new ATOM 869 N LEU A 55 -3.591 -5.426 -6.745 1.00 0.00 N ATOM 870 CA LEU A 55 -2.357 -4.673 -6.914 1.00 0.00 C ATOM 871 C LEU A 55 -1.400 -5.353 -7.882 1.00 0.00 C ATOM 872 O LEU A 55 -0.822 -4.706 -8.775 1.00 0.00 O ATOM 873 CB LEU A 55 -1.678 -4.451 -5.576 1.00 0.00 C ATOM 874 CG LEU A 55 -2.363 -3.479 -4.638 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.674 -3.492 -3.295 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.330 -2.073 -5.228 1.00 0.00 C ATOM 0 H LEU A 55 -3.785 -5.682 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.627 -3.707 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.591 -5.413 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.664 -4.095 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.402 -3.782 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.171 -2.791 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.722 -4.495 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.631 -3.199 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.825 -1.381 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.295 -1.763 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.847 -2.069 -6.188 1.00 0.00 H new ATOM 888 N GLY A 56 -1.265 -6.660 -7.691 1.00 0.00 N ATOM 889 CA GLY A 56 -0.420 -7.468 -8.548 1.00 0.00 C ATOM 890 C GLY A 56 -0.846 -7.368 -9.987 1.00 0.00 C ATOM 891 O GLY A 56 -0.006 -7.208 -10.878 1.00 0.00 O ATOM 0 H GLY A 56 -1.732 -7.179 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.616 -7.144 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.461 -8.509 -8.226 1.00 0.00 H new ATOM 895 N GLU A 57 -2.144 -7.411 -10.211 1.00 0.00 N ATOM 896 CA GLU A 57 -2.692 -7.313 -11.521 1.00 0.00 C ATOM 897 C GLU A 57 -2.505 -5.952 -12.167 1.00 0.00 C ATOM 898 O GLU A 57 -2.433 -5.846 -13.393 1.00 0.00 O ATOM 899 CB GLU A 57 -4.145 -7.718 -11.534 1.00 0.00 C ATOM 900 CG GLU A 57 -4.363 -9.191 -11.290 1.00 0.00 C ATOM 901 CD GLU A 57 -3.500 -10.045 -12.188 1.00 0.00 C ATOM 902 OE1 GLU A 57 -3.702 -10.041 -13.422 1.00 0.00 O ATOM 903 OE2 GLU A 57 -2.610 -10.754 -11.669 1.00 0.00 O ATOM 0 H GLU A 57 -2.841 -7.516 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.122 -8.014 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.679 -7.149 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.580 -7.449 -12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.143 -9.423 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.412 -9.435 -11.456 1.00 0.00 H new ATOM 910 N GLN A 58 -2.445 -4.898 -11.353 1.00 0.00 N ATOM 911 CA GLN A 58 -2.286 -3.544 -11.872 1.00 0.00 C ATOM 912 C GLN A 58 -0.821 -3.304 -12.210 1.00 0.00 C ATOM 913 O GLN A 58 -0.507 -2.690 -13.215 1.00 0.00 O ATOM 914 CB GLN A 58 -2.768 -2.510 -10.845 1.00 0.00 C ATOM 915 CG GLN A 58 -4.153 -2.792 -10.279 1.00 0.00 C ATOM 916 CD GLN A 58 -5.240 -2.925 -11.334 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.203 -2.278 -12.374 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.169 -3.806 -11.099 1.00 0.00 N ATOM 0 H GLN A 58 -2.504 -4.957 -10.336 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.891 -3.435 -12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.053 -2.470 -10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.772 -1.525 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.115 -3.711 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.424 -1.989 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.168 -4.326 -10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.898 -3.976 -11.792 1.00 0.00 H new ATOM 927 N GLY A 59 0.049 -3.714 -11.335 1.00 0.00 N ATOM 928 CA GLY A 59 1.467 -3.641 -11.612 1.00 0.00 C ATOM 929 C GLY A 59 2.262 -3.286 -10.391 1.00 0.00 C ATOM 930 O GLY A 59 3.142 -2.430 -10.438 1.00 0.00 O ATOM 0 H GLY A 59 -0.190 -4.103 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.810 -4.600 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.646 -2.899 -12.390 1.00 0.00 H new ATOM 934 N VAL A 60 1.943 -3.928 -9.290 1.00 0.00 N ATOM 935 CA VAL A 60 2.600 -3.665 -8.033 1.00 0.00 C ATOM 936 C VAL A 60 3.009 -4.981 -7.412 1.00 0.00 C ATOM 937 O VAL A 60 2.181 -5.874 -7.250 1.00 0.00 O ATOM 938 CB VAL A 60 1.643 -2.963 -7.032 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.395 -2.541 -5.787 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.903 -1.782 -7.666 1.00 0.00 C ATOM 0 H VAL A 60 1.221 -4.647 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 60 3.458 -3.022 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 60 0.880 -3.687 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.709 -2.051 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.827 -3.419 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.191 -1.849 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.246 -1.324 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.626 -1.045 -8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.309 -2.135 -8.509 1.00 0.00 H new ATOM 950 N GLU A 61 4.265 -5.110 -7.099 1.00 0.00 N ATOM 951 CA GLU A 61 4.739 -6.273 -6.399 1.00 0.00 C ATOM 952 C GLU A 61 4.673 -6.010 -4.922 1.00 0.00 C ATOM 953 O GLU A 61 5.067 -4.939 -4.466 1.00 0.00 O ATOM 954 CB GLU A 61 6.157 -6.609 -6.807 1.00 0.00 C ATOM 955 CG GLU A 61 6.278 -7.067 -8.238 1.00 0.00 C ATOM 956 CD GLU A 61 7.673 -7.520 -8.569 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.995 -8.703 -8.343 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.486 -6.700 -9.038 1.00 0.00 O ATOM 0 H GLU A 61 4.985 -4.421 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 61 4.109 -7.125 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.787 -5.731 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.540 -7.390 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.579 -7.884 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.994 -6.253 -8.904 1.00 0.00 H new ATOM 965 N LEU A 62 4.132 -6.919 -4.178 1.00 0.00 N ATOM 966 CA LEU A 62 4.057 -6.723 -2.771 1.00 0.00 C ATOM 967 C LEU A 62 5.208 -7.427 -2.070 1.00 0.00 C ATOM 968 O LEU A 62 5.262 -8.664 -2.036 1.00 0.00 O ATOM 969 CB LEU A 62 2.719 -7.201 -2.196 1.00 0.00 C ATOM 970 CG LEU A 62 1.428 -6.666 -2.837 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.523 -5.219 -3.246 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.906 -7.555 -3.945 1.00 0.00 C ATOM 0 H LEU A 62 3.739 -7.797 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 62 4.131 -5.650 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.698 -8.289 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.699 -6.943 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 62 0.677 -6.700 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.579 -4.904 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.733 -4.606 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.326 -5.099 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.006 -7.124 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.657 -7.636 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.691 -8.546 -3.545 1.00 0.00 H new ATOM 984 N ILE A 63 6.139 -6.648 -1.557 1.00 0.00 N ATOM 985 CA ILE A 63 7.242 -7.187 -0.774 1.00 0.00 C ATOM 986 C ILE A 63 6.850 -7.204 0.688 1.00 0.00 C ATOM 987 O ILE A 63 5.788 -6.695 1.046 1.00 0.00 O ATOM 988 CB ILE A 63 8.566 -6.396 -0.943 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.349 -4.907 -0.708 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.165 -6.627 -2.300 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.602 -4.065 -0.848 1.00 0.00 C ATOM 0 H ILE A 63 6.157 -5.634 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 63 7.431 -8.195 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 63 9.265 -6.764 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.601 -4.545 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.939 -4.765 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.092 -6.060 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.375 -7.689 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.464 -6.300 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.359 -3.018 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.346 -4.397 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.003 -4.174 -1.856 1.00 0.00 H new ATOM 1003 N SER A 64 7.681 -7.762 1.527 1.00 0.00 N ATOM 1004 CA SER A 64 7.352 -7.865 2.918 1.00 0.00 C ATOM 1005 C SER A 64 7.472 -6.500 3.625 1.00 0.00 C ATOM 1006 O SER A 64 6.480 -5.781 3.785 1.00 0.00 O ATOM 1007 CB SER A 64 8.210 -8.948 3.568 1.00 0.00 C ATOM 1008 OG SER A 64 7.695 -9.332 4.820 1.00 0.00 O ATOM 0 H SER A 64 8.588 -8.151 1.270 1.00 0.00 H new ATOM 0 HA SER A 64 6.309 -8.163 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.260 -9.817 2.912 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.229 -8.582 3.690 1.00 0.00 H new ATOM 0 HG SER A 64 8.265 -10.027 5.209 1.00 0.00 H new ATOM 1014 N GLU A 65 8.685 -6.172 3.991 1.00 0.00 N ATOM 1015 CA GLU A 65 9.103 -4.908 4.635 1.00 0.00 C ATOM 1016 C GLU A 65 10.508 -5.122 5.130 1.00 0.00 C ATOM 1017 O GLU A 65 11.324 -4.220 5.154 1.00 0.00 O ATOM 1018 CB GLU A 65 8.214 -4.458 5.814 1.00 0.00 C ATOM 1019 CG GLU A 65 8.653 -3.112 6.388 1.00 0.00 C ATOM 1020 CD GLU A 65 7.996 -2.767 7.686 1.00 0.00 C ATOM 1021 OE1 GLU A 65 8.214 -3.491 8.670 1.00 0.00 O ATOM 1022 OE2 GLU A 65 7.323 -1.724 7.773 1.00 0.00 O ATOM 0 H GLU A 65 9.471 -6.806 3.848 1.00 0.00 H new ATOM 0 HA GLU A 65 9.018 -4.113 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.179 -4.388 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.245 -5.213 6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.734 -3.123 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.435 -2.329 5.662 1.00 0.00 H new ATOM 1029 N ASN A 66 10.789 -6.374 5.489 1.00 0.00 N ATOM 1030 CA ASN A 66 12.136 -6.831 5.905 1.00 0.00 C ATOM 1031 C ASN A 66 13.099 -6.804 4.702 1.00 0.00 C ATOM 1032 O ASN A 66 14.292 -7.045 4.814 1.00 0.00 O ATOM 1033 CB ASN A 66 12.024 -8.252 6.507 1.00 0.00 C ATOM 1034 CG ASN A 66 13.342 -8.840 7.001 1.00 0.00 C ATOM 1035 OD1 ASN A 66 14.044 -9.514 6.266 1.00 0.00 O ATOM 1036 ND2 ASN A 66 13.667 -8.617 8.247 1.00 0.00 N ATOM 0 H ASN A 66 10.088 -7.115 5.503 1.00 0.00 H new ATOM 0 HA ASN A 66 12.539 -6.161 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.319 -8.225 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.604 -8.919 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.527 -9.011 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.060 -8.049 8.839 1.00 0.00 H new ATOM 1043 N GLU A 67 12.551 -6.466 3.576 1.00 0.00 N ATOM 1044 CA GLU A 67 13.246 -6.340 2.352 1.00 0.00 C ATOM 1045 C GLU A 67 12.678 -5.131 1.687 1.00 0.00 C ATOM 1046 O GLU A 67 11.486 -4.826 1.904 1.00 0.00 O ATOM 1047 CB GLU A 67 12.981 -7.557 1.484 1.00 0.00 C ATOM 1048 CG GLU A 67 11.544 -7.685 1.066 1.00 0.00 C ATOM 1049 CD GLU A 67 11.195 -9.038 0.558 1.00 0.00 C ATOM 1050 OE1 GLU A 67 10.211 -9.612 1.055 1.00 0.00 O ATOM 1051 OE2 GLU A 67 11.906 -9.569 -0.311 1.00 0.00 O ATOM 0 H GLU A 67 11.555 -6.262 3.492 1.00 0.00 H new ATOM 0 HA GLU A 67 14.322 -6.257 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.608 -7.504 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.276 -8.454 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.904 -7.448 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.332 -6.948 0.291 1.00 0.00 H new ATOM 1058 N GLU A 68 13.510 -4.453 0.955 1.00 0.00 N ATOM 1059 CA GLU A 68 13.161 -3.277 0.143 1.00 0.00 C ATOM 1060 C GLU A 68 14.419 -2.531 -0.214 1.00 0.00 C ATOM 1061 O GLU A 68 15.182 -2.151 0.676 1.00 0.00 O ATOM 1062 CB GLU A 68 12.243 -2.293 0.874 1.00 0.00 C ATOM 1063 CG GLU A 68 11.798 -1.090 0.057 1.00 0.00 C ATOM 1064 CD GLU A 68 10.848 -0.206 0.818 1.00 0.00 C ATOM 1065 OE1 GLU A 68 11.295 0.572 1.684 1.00 0.00 O ATOM 1066 OE2 GLU A 68 9.633 -0.252 0.560 1.00 0.00 O ATOM 0 H GLU A 68 14.498 -4.697 0.890 1.00 0.00 H new ATOM 0 HA GLU A 68 12.636 -3.652 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.357 -2.830 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.758 -1.936 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.672 -0.511 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.318 -1.433 -0.859 1.00 0.00 H new ATOM 1073 N THR A 69 14.635 -2.336 -1.478 1.00 0.00 N ATOM 1074 CA THR A 69 15.769 -1.536 -1.954 1.00 0.00 C ATOM 1075 C THR A 69 15.717 -1.264 -3.467 1.00 0.00 C ATOM 1076 O THR A 69 16.404 -0.378 -3.979 1.00 0.00 O ATOM 1077 CB THR A 69 17.171 -2.056 -1.469 1.00 0.00 C ATOM 1078 OG1 THR A 69 18.210 -1.137 -1.815 1.00 0.00 O ATOM 1079 CG2 THR A 69 17.497 -3.426 -2.034 1.00 0.00 C ATOM 0 H THR A 69 14.047 -2.715 -2.220 1.00 0.00 H new ATOM 0 HA THR A 69 15.651 -0.567 -1.468 1.00 0.00 H new ATOM 0 HB THR A 69 17.112 -2.139 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.950 -0.636 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 69 18.474 -3.745 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.740 -4.141 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 69 17.511 -3.377 -3.123 1.00 0.00 H new ATOM 1087 N GLU A 70 14.848 -1.954 -4.145 1.00 0.00 N ATOM 1088 CA GLU A 70 14.627 -1.783 -5.585 1.00 0.00 C ATOM 1089 C GLU A 70 14.055 -0.395 -5.878 1.00 0.00 C ATOM 1090 O GLU A 70 14.210 0.163 -6.970 1.00 0.00 O ATOM 1091 CB GLU A 70 13.629 -2.834 -6.090 1.00 0.00 C ATOM 1092 CG GLU A 70 12.340 -2.897 -5.261 1.00 0.00 C ATOM 1093 CD GLU A 70 12.400 -3.912 -4.163 1.00 0.00 C ATOM 1094 OE1 GLU A 70 11.859 -5.007 -4.333 1.00 0.00 O ATOM 1095 OE2 GLU A 70 13.041 -3.637 -3.131 1.00 0.00 O ATOM 0 H GLU A 70 14.254 -2.668 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 70 15.585 -1.899 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.375 -2.614 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.107 -3.813 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.143 -1.915 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.503 -3.130 -5.919 1.00 0.00 H new ATOM 1102 N ASP A 71 13.398 0.144 -4.891 1.00 0.00 N ATOM 1103 CA ASP A 71 12.715 1.406 -5.013 1.00 0.00 C ATOM 1104 C ASP A 71 13.379 2.469 -4.146 1.00 0.00 C ATOM 1105 O ASP A 71 13.026 3.653 -4.175 1.00 0.00 O ATOM 1106 CB ASP A 71 11.242 1.195 -4.644 1.00 0.00 C ATOM 1107 CG ASP A 71 10.420 2.444 -4.650 1.00 0.00 C ATOM 1108 OD1 ASP A 71 10.057 2.913 -3.566 1.00 0.00 O ATOM 1109 OD2 ASP A 71 10.117 2.964 -5.726 1.00 0.00 O ATOM 0 H ASP A 71 13.319 -0.283 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 71 12.773 1.769 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.803 0.482 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.189 0.744 -3.653 1.00 0.00 H new ATOM 1114 N LEU A 72 14.413 2.073 -3.452 1.00 0.00 N ATOM 1115 CA LEU A 72 15.066 2.982 -2.530 1.00 0.00 C ATOM 1116 C LEU A 72 16.087 3.860 -3.204 1.00 0.00 C ATOM 1117 O LEU A 72 17.293 3.660 -3.094 1.00 0.00 O ATOM 1118 CB LEU A 72 15.632 2.301 -1.277 1.00 0.00 C ATOM 1119 CG LEU A 72 14.605 1.683 -0.319 1.00 0.00 C ATOM 1120 CD1 LEU A 72 15.296 1.134 0.915 1.00 0.00 C ATOM 1121 CD2 LEU A 72 13.538 2.703 0.073 1.00 0.00 C ATOM 0 H LEU A 72 14.822 1.140 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 72 14.268 3.634 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.320 1.517 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.218 3.035 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 72 14.111 0.861 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.554 0.699 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.012 0.367 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.819 1.941 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.823 2.239 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 72 14.010 3.552 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.018 3.048 -0.821 1.00 0.00 H new ATOM 1133 N GLU A 73 15.577 4.763 -3.990 1.00 0.00 N ATOM 1134 CA GLU A 73 16.358 5.793 -4.621 1.00 0.00 C ATOM 1135 C GLU A 73 15.670 7.108 -4.360 1.00 0.00 C ATOM 1136 O GLU A 73 16.048 8.148 -4.883 1.00 0.00 O ATOM 1137 CB GLU A 73 16.469 5.568 -6.123 1.00 0.00 C ATOM 1138 CG GLU A 73 17.113 4.262 -6.519 1.00 0.00 C ATOM 1139 CD GLU A 73 17.397 4.216 -7.979 1.00 0.00 C ATOM 1140 OE1 GLU A 73 18.512 4.622 -8.379 1.00 0.00 O ATOM 1141 OE2 GLU A 73 16.523 3.807 -8.763 1.00 0.00 O ATOM 0 H GLU A 73 14.584 4.807 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 73 17.369 5.783 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.470 5.612 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.042 6.387 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.041 4.129 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.457 3.435 -6.248 1.00 0.00 H new ATOM 1148 N HIS A 74 14.648 7.035 -3.549 1.00 0.00 N ATOM 1149 CA HIS A 74 13.841 8.165 -3.206 1.00 0.00 C ATOM 1150 C HIS A 74 13.855 8.339 -1.717 1.00 0.00 C ATOM 1151 O HIS A 74 13.784 7.354 -0.974 1.00 0.00 O ATOM 1152 CB HIS A 74 12.372 7.961 -3.654 1.00 0.00 C ATOM 1153 CG HIS A 74 12.115 7.980 -5.137 1.00 0.00 C ATOM 1154 ND1 HIS A 74 11.119 8.728 -5.726 1.00 0.00 N ATOM 1155 CD2 HIS A 74 12.698 7.284 -6.143 1.00 0.00 C ATOM 1156 CE1 HIS A 74 11.127 8.474 -7.035 1.00 0.00 C ATOM 1157 NE2 HIS A 74 12.071 7.598 -7.341 1.00 0.00 N ATOM 0 H HIS A 74 14.351 6.168 -3.102 1.00 0.00 H new ATOM 0 HA HIS A 74 14.248 9.041 -3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.024 7.006 -3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.763 8.738 -3.192 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.521 6.594 -6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.453 8.923 -7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.292 7.230 -8.266 1.00 0.00 H new ATOM 1165 N HIS A 75 13.998 9.560 -1.281 1.00 0.00 N ATOM 1166 CA HIS A 75 13.851 9.879 0.117 1.00 0.00 C ATOM 1167 C HIS A 75 12.356 9.943 0.348 1.00 0.00 C ATOM 1168 O HIS A 75 11.816 9.341 1.277 1.00 0.00 O ATOM 1169 CB HIS A 75 14.508 11.238 0.419 1.00 0.00 C ATOM 1170 CG HIS A 75 14.534 11.626 1.871 1.00 0.00 C ATOM 1171 ND1 HIS A 75 13.944 12.766 2.378 1.00 0.00 N ATOM 1172 CD2 HIS A 75 15.144 11.023 2.921 1.00 0.00 C ATOM 1173 CE1 HIS A 75 14.208 12.824 3.682 1.00 0.00 C ATOM 1174 NE2 HIS A 75 14.938 11.784 4.068 1.00 0.00 N ATOM 0 H HIS A 75 14.218 10.358 -1.877 1.00 0.00 H new ATOM 0 HA HIS A 75 14.330 9.145 0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.532 11.220 0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.979 12.011 -0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 75 15.701 10.099 2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.873 13.613 4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.277 11.584 5.009 1.00 0.00 H new ATOM 1182 N HIS A 76 11.721 10.647 -0.577 1.00 0.00 N ATOM 1183 CA HIS A 76 10.300 10.808 -0.722 1.00 0.00 C ATOM 1184 C HIS A 76 10.150 11.902 -1.755 1.00 0.00 C ATOM 1185 O HIS A 76 9.974 13.070 -1.378 1.00 0.00 O ATOM 1186 CB HIS A 76 9.591 11.208 0.595 1.00 0.00 C ATOM 1187 CG HIS A 76 8.096 11.099 0.522 1.00 0.00 C ATOM 1188 ND1 HIS A 76 7.234 12.157 0.666 1.00 0.00 N ATOM 1189 CD2 HIS A 76 7.314 10.005 0.334 1.00 0.00 C ATOM 1190 CE1 HIS A 76 5.986 11.694 0.567 1.00 0.00 C ATOM 1191 NE2 HIS A 76 5.977 10.386 0.363 1.00 0.00 N ATOM 1192 OXT HIS A 76 10.392 11.622 -2.939 1.00 0.00 O ATOM 0 H HIS A 76 12.235 11.156 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 76 9.833 9.867 -1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.955 10.573 1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.862 12.233 0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.674 8.998 0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.100 12.306 0.643 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.161 9.784 0.251 1.00 0.00 H new TER 1200 HIS A 76