USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl -140:sc= -2.73! (180deg=-3.54!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.872 K(o=-3.6,f=-9.7!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.397 USER MOD Set 2.2: A 56 GLN : amide:sc= -5.67! C(o=-6.1!,f=-4.1!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0387 (180deg=-0.768) USER MOD Single : A 1 MET N :NH3+ 135:sc= 1.24 (180deg=0.675) USER MOD Single : A 5 LYS NZ :NH3+ -141:sc= -0.163 (180deg=-1.02) USER MOD Single : A 6 SER OG : rot 180:sc= -2.61 USER MOD Single : A 19 THR OG1 : rot 90:sc= 0 USER MOD Single : A 21 MET CE :methyl -147:sc= -7.13 (180deg=-13.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -65:sc= 1.12 USER MOD Single : A 32 GLN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -160:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -2.01 X(o=-2,f=-2.3!) USER MOD Single : A 57 CYS SG : rot 17:sc= 0.801 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.327 (180deg=-0.506) USER MOD Single : A 66 THR OG1 : rot 100:sc= -0.0391 USER MOD Single : A 74 THR OG1 : rot -51:sc= 0.249 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00986 X(o=-0.0099,f=0) USER MOD Single : A 82 SER OG : rot 59:sc= 1.05 USER MOD Single : A 83 MET CE :methyl 140:sc= -0.402 (180deg=-5.49!) USER MOD Single : A 89 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.300 4.501 -4.513 1.00 0.00 N ATOM 2 CA MET A 1 6.563 3.812 -3.264 1.00 0.00 C ATOM 3 C MET A 1 6.912 4.820 -2.179 1.00 0.00 C ATOM 4 O MET A 1 8.001 5.391 -2.225 1.00 0.00 O ATOM 5 CB MET A 1 7.702 2.818 -3.464 1.00 0.00 C ATOM 6 CG MET A 1 7.243 1.698 -4.393 1.00 0.00 C ATOM 7 SD MET A 1 7.173 2.173 -6.139 1.00 0.00 S ATOM 8 CE MET A 1 8.946 2.339 -6.465 1.00 0.00 C ATOM 0 H1 MET A 1 6.784 4.008 -5.290 1.00 0.00 H new ATOM 0 H2 MET A 1 5.276 4.512 -4.694 1.00 0.00 H new ATOM 0 H3 MET A 1 6.651 5.478 -4.451 1.00 0.00 H new ATOM 0 HA MET A 1 5.672 3.268 -2.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.570 3.324 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.011 2.405 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.919 0.850 -4.284 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.255 1.361 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.132 2.223 -7.533 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.285 3.324 -6.143 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.490 1.571 -5.916 1.00 0.00 H new ATOM 20 N LEU A 2 5.999 5.019 -1.239 1.00 0.00 N ATOM 21 CA LEU A 2 6.233 5.960 -0.157 1.00 0.00 C ATOM 22 C LEU A 2 7.609 5.694 0.457 1.00 0.00 C ATOM 23 O LEU A 2 8.586 6.354 0.108 1.00 0.00 O ATOM 24 CB LEU A 2 5.086 5.906 0.855 1.00 0.00 C ATOM 25 CG LEU A 2 4.229 7.169 0.966 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.925 7.016 0.182 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.979 7.534 2.430 1.00 0.00 C ATOM 0 H LEU A 2 5.097 4.545 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 2 6.246 6.982 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.436 5.072 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.505 5.687 1.837 1.00 0.00 H new ATOM 0 HG LEU A 2 4.779 7.997 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.334 7.927 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.151 6.838 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.359 6.173 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.368 8.435 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.459 6.714 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.932 7.713 2.928 1.00 0.00 H new ATOM 39 N VAL A 3 7.641 4.725 1.361 1.00 0.00 N ATOM 40 CA VAL A 3 8.881 4.364 2.027 1.00 0.00 C ATOM 41 C VAL A 3 8.976 2.841 2.128 1.00 0.00 C ATOM 42 O VAL A 3 8.329 2.230 2.977 1.00 0.00 O ATOM 43 CB VAL A 3 8.966 5.059 3.387 1.00 0.00 C ATOM 44 CG1 VAL A 3 7.581 5.196 4.021 1.00 0.00 C ATOM 45 CG2 VAL A 3 9.927 4.321 4.321 1.00 0.00 C ATOM 0 H VAL A 3 6.828 4.179 1.647 1.00 0.00 H new ATOM 0 HA VAL A 3 9.739 4.706 1.448 1.00 0.00 H new ATOM 0 HB VAL A 3 9.360 6.062 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.671 5.693 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.938 5.786 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.146 4.207 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.969 4.836 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.576 3.300 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.922 4.300 3.877 1.00 0.00 H new ATOM 55 N ALA A 4 9.786 2.271 1.248 1.00 0.00 N ATOM 56 CA ALA A 4 9.974 0.830 1.227 1.00 0.00 C ATOM 57 C ALA A 4 8.635 0.142 1.496 1.00 0.00 C ATOM 58 O ALA A 4 8.489 -0.579 2.482 1.00 0.00 O ATOM 59 CB ALA A 4 11.045 0.440 2.248 1.00 0.00 C ATOM 0 H ALA A 4 10.320 2.781 0.544 1.00 0.00 H new ATOM 0 HA ALA A 4 10.322 0.502 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.186 -0.641 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.984 0.932 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.728 0.750 3.244 1.00 0.00 H new ATOM 65 N LYS A 5 7.689 0.387 0.600 1.00 0.00 N ATOM 66 CA LYS A 5 6.367 -0.200 0.727 1.00 0.00 C ATOM 67 C LYS A 5 5.949 -0.803 -0.616 1.00 0.00 C ATOM 68 O LYS A 5 6.641 -0.633 -1.618 1.00 0.00 O ATOM 69 CB LYS A 5 5.375 0.828 1.274 1.00 0.00 C ATOM 70 CG LYS A 5 5.563 1.024 2.780 1.00 0.00 C ATOM 71 CD LYS A 5 4.669 0.069 3.574 1.00 0.00 C ATOM 72 CE LYS A 5 3.949 0.805 4.706 1.00 0.00 C ATOM 73 NZ LYS A 5 2.966 1.765 4.156 1.00 0.00 N ATOM 0 H LYS A 5 7.813 0.985 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 5 6.380 -1.014 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.511 1.779 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.356 0.499 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.607 0.855 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.329 2.054 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.936 -0.387 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.272 -0.740 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.443 0.087 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.675 1.333 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.975 2.636 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.215 1.992 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.016 1.343 4.184 1.00 0.00 H new ATOM 87 N SER A 6 4.820 -1.494 -0.592 1.00 0.00 N ATOM 88 CA SER A 6 4.302 -2.123 -1.795 1.00 0.00 C ATOM 89 C SER A 6 2.788 -2.309 -1.679 1.00 0.00 C ATOM 90 O SER A 6 2.224 -2.174 -0.594 1.00 0.00 O ATOM 91 CB SER A 6 4.983 -3.469 -2.050 1.00 0.00 C ATOM 92 OG SER A 6 4.396 -4.166 -3.145 1.00 0.00 O ATOM 0 H SER A 6 4.249 -1.633 0.242 1.00 0.00 H new ATOM 0 HA SER A 6 4.518 -1.470 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.042 -3.307 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.918 -4.084 -1.152 1.00 0.00 H new ATOM 0 HG SER A 6 4.860 -5.019 -3.276 1.00 0.00 H new ATOM 98 N SER A 7 2.172 -2.615 -2.811 1.00 0.00 N ATOM 99 CA SER A 7 0.735 -2.821 -2.850 1.00 0.00 C ATOM 100 C SER A 7 0.419 -4.203 -3.426 1.00 0.00 C ATOM 101 O SER A 7 0.911 -4.561 -4.494 1.00 0.00 O ATOM 102 CB SER A 7 0.044 -1.732 -3.674 1.00 0.00 C ATOM 103 OG SER A 7 -1.134 -2.213 -4.315 1.00 0.00 O ATOM 0 H SER A 7 2.643 -2.725 -3.709 1.00 0.00 H new ATOM 0 HA SER A 7 0.354 -2.764 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.213 -0.895 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.736 -1.352 -4.426 1.00 0.00 H new ATOM 0 HG SER A 7 -1.546 -1.488 -4.829 1.00 0.00 H new ATOM 109 N ILE A 8 -0.400 -4.941 -2.691 1.00 0.00 N ATOM 110 CA ILE A 8 -0.788 -6.276 -3.116 1.00 0.00 C ATOM 111 C ILE A 8 -2.301 -6.437 -2.957 1.00 0.00 C ATOM 112 O ILE A 8 -2.821 -6.386 -1.844 1.00 0.00 O ATOM 113 CB ILE A 8 0.026 -7.333 -2.367 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.521 -7.179 -2.654 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.477 -8.742 -2.688 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.346 -7.358 -1.378 1.00 0.00 C ATOM 0 H ILE A 8 -0.805 -4.640 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.561 -6.422 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.114 -7.177 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.830 -7.914 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.713 -6.195 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.119 -9.474 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.522 -8.832 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.386 -8.926 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.405 -7.244 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.052 -6.606 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.170 -8.352 -0.967 1.00 0.00 H new ATOM 128 N LEU A 9 -2.965 -6.631 -4.087 1.00 0.00 N ATOM 129 CA LEU A 9 -4.408 -6.801 -4.088 1.00 0.00 C ATOM 130 C LEU A 9 -4.742 -8.294 -4.052 1.00 0.00 C ATOM 131 O LEU A 9 -4.202 -9.072 -4.837 1.00 0.00 O ATOM 132 CB LEU A 9 -5.035 -6.058 -5.269 1.00 0.00 C ATOM 133 CG LEU A 9 -6.539 -5.796 -5.174 1.00 0.00 C ATOM 134 CD1 LEU A 9 -6.860 -4.864 -4.004 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.086 -5.261 -6.499 1.00 0.00 C ATOM 0 H LEU A 9 -2.530 -6.674 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.844 -6.355 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.526 -5.101 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.843 -6.630 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.040 -6.744 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.936 -4.694 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.525 -5.321 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.348 -3.912 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.157 -5.083 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.583 -4.327 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.908 -5.992 -7.288 1.00 0.00 H new ATOM 147 N LEU A 10 -5.629 -8.648 -3.135 1.00 0.00 N ATOM 148 CA LEU A 10 -6.040 -10.034 -2.987 1.00 0.00 C ATOM 149 C LEU A 10 -7.516 -10.166 -3.367 1.00 0.00 C ATOM 150 O LEU A 10 -8.262 -9.188 -3.325 1.00 0.00 O ATOM 151 CB LEU A 10 -5.719 -10.542 -1.580 1.00 0.00 C ATOM 152 CG LEU A 10 -4.490 -11.443 -1.455 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.201 -10.640 -1.643 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.501 -12.207 -0.130 1.00 0.00 C ATOM 0 H LEU A 10 -6.075 -7.999 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.476 -10.673 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.581 -9.680 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.585 -11.089 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.528 -12.184 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.342 -11.304 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.199 -10.181 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.143 -9.862 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.616 -12.840 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.500 -11.499 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.395 -12.828 -0.075 1.00 0.00 H new ATOM 166 N ASP A 11 -7.895 -11.383 -3.729 1.00 0.00 N ATOM 167 CA ASP A 11 -9.268 -11.655 -4.116 1.00 0.00 C ATOM 168 C ASP A 11 -9.672 -13.041 -3.606 1.00 0.00 C ATOM 169 O ASP A 11 -9.022 -14.037 -3.923 1.00 0.00 O ATOM 170 CB ASP A 11 -9.424 -11.648 -5.638 1.00 0.00 C ATOM 171 CG ASP A 11 -10.625 -10.859 -6.161 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.753 -11.009 -5.668 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.365 -10.048 -7.131 1.00 0.00 O ATOM 0 H ASP A 11 -7.274 -12.192 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.899 -10.878 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.517 -11.235 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.506 -12.678 -5.984 1.00 0.00 H new ATOM 178 N VAL A 12 -10.743 -13.061 -2.826 1.00 0.00 N ATOM 179 CA VAL A 12 -11.240 -14.307 -2.269 1.00 0.00 C ATOM 180 C VAL A 12 -12.730 -14.443 -2.588 1.00 0.00 C ATOM 181 O VAL A 12 -13.443 -13.445 -2.682 1.00 0.00 O ATOM 182 CB VAL A 12 -10.942 -14.366 -0.769 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.331 -15.727 -0.187 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.471 -14.051 -0.490 1.00 0.00 C ATOM 0 H VAL A 12 -11.280 -12.234 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.731 -15.158 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.547 -13.605 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.109 -15.743 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.397 -15.896 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.764 -16.512 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.286 -14.100 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.840 -14.778 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.238 -13.050 -0.853 1.00 0.00 H new ATOM 194 N LYS A 13 -13.157 -15.687 -2.746 1.00 0.00 N ATOM 195 CA LYS A 13 -14.550 -15.968 -3.053 1.00 0.00 C ATOM 196 C LYS A 13 -15.222 -16.593 -1.828 1.00 0.00 C ATOM 197 O LYS A 13 -14.688 -17.529 -1.234 1.00 0.00 O ATOM 198 CB LYS A 13 -14.659 -16.823 -4.317 1.00 0.00 C ATOM 199 CG LYS A 13 -15.800 -16.336 -5.211 1.00 0.00 C ATOM 200 CD LYS A 13 -15.320 -16.124 -6.648 1.00 0.00 C ATOM 201 CE LYS A 13 -16.466 -15.662 -7.549 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.028 -15.607 -8.961 1.00 0.00 N ATOM 0 H LYS A 13 -12.563 -16.512 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.085 -15.044 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.719 -16.786 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.826 -17.865 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.612 -17.063 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.202 -15.403 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.521 -15.383 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.901 -17.053 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.311 -16.344 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.812 -14.678 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.819 -15.291 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.237 -14.939 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.720 -16.552 -9.266 1.00 0.00 H new ATOM 216 N PRO A 14 -16.411 -16.036 -1.479 1.00 0.00 N ATOM 217 CA PRO A 14 -17.161 -16.529 -0.336 1.00 0.00 C ATOM 218 C PRO A 14 -17.841 -17.862 -0.659 1.00 0.00 C ATOM 219 O PRO A 14 -18.226 -18.106 -1.802 1.00 0.00 O ATOM 220 CB PRO A 14 -18.151 -15.423 -0.008 1.00 0.00 C ATOM 221 CG PRO A 14 -18.237 -14.557 -1.255 1.00 0.00 C ATOM 222 CD PRO A 14 -17.073 -14.927 -2.160 1.00 0.00 C ATOM 0 HA PRO A 14 -16.525 -16.744 0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.127 -15.836 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.815 -14.840 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.185 -14.719 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.194 -13.501 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.420 -15.221 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.395 -14.085 -2.297 1.00 0.00 H new ATOM 230 N TRP A 15 -17.967 -18.689 0.368 1.00 0.00 N ATOM 231 CA TRP A 15 -18.591 -19.991 0.209 1.00 0.00 C ATOM 232 C TRP A 15 -19.978 -19.777 -0.402 1.00 0.00 C ATOM 233 O TRP A 15 -20.446 -20.595 -1.192 1.00 0.00 O ATOM 234 CB TRP A 15 -18.633 -20.747 1.538 1.00 0.00 C ATOM 235 CG TRP A 15 -17.581 -21.851 1.659 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.775 -22.112 2.697 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.253 -22.839 0.659 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.954 -23.192 2.441 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.254 -23.648 1.162 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.782 -23.043 -0.627 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.699 -24.715 0.446 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.216 -24.112 -1.331 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.210 -24.936 -0.839 1.00 0.00 C ATOM 0 H TRP A 15 -17.647 -18.482 1.314 1.00 0.00 H new ATOM 0 HA TRP A 15 -18.006 -20.620 -0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.495 -20.037 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.622 -21.187 1.663 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.768 -21.548 3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.256 -23.583 3.073 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.564 -22.423 -1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.919 -25.335 0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.587 -24.311 -2.326 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.824 -25.743 -1.445 1.00 0.00 H new ATOM 254 N ASP A 16 -20.598 -18.673 -0.011 1.00 0.00 N ATOM 255 CA ASP A 16 -21.922 -18.342 -0.509 1.00 0.00 C ATOM 256 C ASP A 16 -22.375 -17.016 0.105 1.00 0.00 C ATOM 257 O ASP A 16 -21.653 -16.414 0.897 1.00 0.00 O ATOM 258 CB ASP A 16 -22.941 -19.415 -0.120 1.00 0.00 C ATOM 259 CG ASP A 16 -23.937 -19.789 -1.220 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.039 -19.105 -2.249 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.637 -20.847 -0.985 1.00 0.00 O ATOM 0 H ASP A 16 -20.208 -17.996 0.645 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.867 -18.274 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.403 -20.313 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.497 -19.068 0.751 1.00 0.00 H new ATOM 266 N ASP A 17 -23.571 -16.598 -0.286 1.00 0.00 N ATOM 267 CA ASP A 17 -24.129 -15.353 0.214 1.00 0.00 C ATOM 268 C ASP A 17 -24.172 -15.398 1.743 1.00 0.00 C ATOM 269 O ASP A 17 -24.146 -14.357 2.399 1.00 0.00 O ATOM 270 CB ASP A 17 -25.557 -15.146 -0.293 1.00 0.00 C ATOM 271 CG ASP A 17 -26.656 -15.623 0.658 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.797 -16.826 0.921 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.400 -14.686 1.145 1.00 0.00 O ATOM 0 H ASP A 17 -24.168 -17.100 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.500 -14.536 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.705 -14.085 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.668 -15.668 -1.244 1.00 0.00 H new ATOM 278 N GLU A 18 -24.239 -16.613 2.266 1.00 0.00 N ATOM 279 CA GLU A 18 -24.286 -16.807 3.705 1.00 0.00 C ATOM 280 C GLU A 18 -23.041 -16.209 4.363 1.00 0.00 C ATOM 281 O GLU A 18 -23.123 -15.629 5.446 1.00 0.00 O ATOM 282 CB GLU A 18 -24.432 -18.289 4.055 1.00 0.00 C ATOM 283 CG GLU A 18 -23.096 -19.021 3.906 1.00 0.00 C ATOM 284 CD GLU A 18 -23.224 -20.485 4.332 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.319 -21.064 3.973 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.310 -21.026 4.974 1.00 0.00 O ATOM 0 H GLU A 18 -24.262 -17.473 1.719 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.163 -16.288 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.795 -18.391 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.177 -18.748 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.761 -18.968 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.337 -18.527 4.512 1.00 0.00 H new ATOM 293 N THR A 19 -21.916 -16.368 3.682 1.00 0.00 N ATOM 294 CA THR A 19 -20.655 -15.851 4.186 1.00 0.00 C ATOM 295 C THR A 19 -20.788 -14.366 4.532 1.00 0.00 C ATOM 296 O THR A 19 -20.782 -13.515 3.646 1.00 0.00 O ATOM 297 CB THR A 19 -19.575 -16.135 3.140 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.307 -17.527 3.288 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.243 -15.462 3.476 1.00 0.00 C ATOM 0 H THR A 19 -21.851 -16.848 2.784 1.00 0.00 H new ATOM 0 HA THR A 19 -20.368 -16.346 5.114 1.00 0.00 H new ATOM 0 HB THR A 19 -19.917 -15.794 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.901 -18.039 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.512 -15.696 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.384 -14.382 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.883 -15.828 4.438 1.00 0.00 H new ATOM 307 N ASP A 20 -20.907 -14.103 5.826 1.00 0.00 N ATOM 308 CA ASP A 20 -21.041 -12.737 6.301 1.00 0.00 C ATOM 309 C ASP A 20 -19.896 -11.890 5.741 1.00 0.00 C ATOM 310 O ASP A 20 -18.770 -11.959 6.233 1.00 0.00 O ATOM 311 CB ASP A 20 -20.970 -12.675 7.829 1.00 0.00 C ATOM 312 CG ASP A 20 -22.079 -11.859 8.495 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.511 -10.821 7.971 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.507 -12.334 9.615 1.00 0.00 O ATOM 0 H ASP A 20 -20.913 -14.812 6.559 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.008 -12.359 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.002 -13.692 8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.007 -12.253 8.116 1.00 0.00 H new ATOM 319 N MET A 21 -20.222 -11.114 4.719 1.00 0.00 N ATOM 320 CA MET A 21 -19.235 -10.255 4.085 1.00 0.00 C ATOM 321 C MET A 21 -18.719 -9.199 5.065 1.00 0.00 C ATOM 322 O MET A 21 -17.549 -8.819 5.014 1.00 0.00 O ATOM 323 CB MET A 21 -19.861 -9.565 2.873 1.00 0.00 C ATOM 324 CG MET A 21 -19.940 -10.519 1.679 1.00 0.00 C ATOM 325 SD MET A 21 -19.725 -9.612 0.157 1.00 0.00 S ATOM 326 CE MET A 21 -18.984 -10.880 -0.858 1.00 0.00 C ATOM 0 H MET A 21 -21.156 -11.061 4.313 1.00 0.00 H new ATOM 0 HA MET A 21 -18.394 -10.871 3.767 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.860 -9.211 3.127 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.271 -8.688 2.604 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.172 -11.287 1.766 1.00 0.00 H new ATOM 0 HG3 MET A 21 -20.903 -11.030 1.674 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.282 -10.423 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.454 -11.591 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.762 -11.401 -1.415 1.00 0.00 H new ATOM 336 N ALA A 22 -19.614 -8.754 5.933 1.00 0.00 N ATOM 337 CA ALA A 22 -19.264 -7.749 6.922 1.00 0.00 C ATOM 338 C ALA A 22 -18.139 -8.284 7.809 1.00 0.00 C ATOM 339 O ALA A 22 -17.247 -7.536 8.205 1.00 0.00 O ATOM 340 CB ALA A 22 -20.509 -7.368 7.726 1.00 0.00 C ATOM 0 H ALA A 22 -20.583 -9.071 5.972 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.900 -6.843 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.246 -6.614 8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.268 -6.967 7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.901 -8.251 8.230 1.00 0.00 H new ATOM 346 N LYS A 23 -18.217 -9.575 8.096 1.00 0.00 N ATOM 347 CA LYS A 23 -17.216 -10.218 8.930 1.00 0.00 C ATOM 348 C LYS A 23 -15.963 -10.493 8.095 1.00 0.00 C ATOM 349 O LYS A 23 -14.847 -10.239 8.543 1.00 0.00 O ATOM 350 CB LYS A 23 -17.796 -11.468 9.597 1.00 0.00 C ATOM 351 CG LYS A 23 -17.216 -11.659 10.999 1.00 0.00 C ATOM 352 CD LYS A 23 -18.293 -11.467 12.069 1.00 0.00 C ATOM 353 CE LYS A 23 -17.670 -11.072 13.409 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.261 -9.810 13.905 1.00 0.00 N ATOM 0 H LYS A 23 -18.958 -10.193 7.766 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.919 -9.558 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.881 -11.383 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.578 -12.345 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.786 -12.657 11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.406 -10.948 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.995 -10.697 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.863 -12.389 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.829 -11.866 14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.592 -10.955 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.826 -9.557 14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.087 -9.051 13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.286 -9.933 14.033 1.00 0.00 H new ATOM 368 N LEU A 24 -16.192 -11.008 6.895 1.00 0.00 N ATOM 369 CA LEU A 24 -15.095 -11.319 5.994 1.00 0.00 C ATOM 370 C LEU A 24 -14.325 -10.038 5.674 1.00 0.00 C ATOM 371 O LEU A 24 -13.094 -10.028 5.691 1.00 0.00 O ATOM 372 CB LEU A 24 -15.613 -12.052 4.754 1.00 0.00 C ATOM 373 CG LEU A 24 -14.861 -13.326 4.365 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.591 -14.073 3.247 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.410 -13.014 3.995 1.00 0.00 C ATOM 0 H LEU A 24 -17.120 -11.217 6.526 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.392 -12.003 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.660 -12.308 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.582 -11.363 3.910 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.837 -13.987 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.036 -14.975 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.591 -14.346 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.667 -13.431 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.898 -13.937 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.390 -12.325 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.907 -12.558 4.848 1.00 0.00 H new ATOM 387 N GLU A 25 -15.078 -8.986 5.389 1.00 0.00 N ATOM 388 CA GLU A 25 -14.481 -7.702 5.065 1.00 0.00 C ATOM 389 C GLU A 25 -13.808 -7.103 6.301 1.00 0.00 C ATOM 390 O GLU A 25 -12.780 -6.435 6.192 1.00 0.00 O ATOM 391 CB GLU A 25 -15.523 -6.742 4.488 1.00 0.00 C ATOM 392 CG GLU A 25 -14.882 -5.762 3.504 1.00 0.00 C ATOM 393 CD GLU A 25 -14.498 -6.466 2.201 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.461 -6.611 1.355 1.00 0.00 O ATOM 395 OE2 GLU A 25 -13.332 -6.849 2.023 1.00 0.00 O ATOM 0 H GLU A 25 -16.098 -8.997 5.376 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.719 -7.860 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.305 -7.309 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.001 -6.190 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.576 -4.949 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.996 -5.315 3.955 1.00 0.00 H new ATOM 402 N GLU A 26 -14.416 -7.363 7.450 1.00 0.00 N ATOM 403 CA GLU A 26 -13.888 -6.857 8.706 1.00 0.00 C ATOM 404 C GLU A 26 -12.662 -7.667 9.131 1.00 0.00 C ATOM 405 O GLU A 26 -11.566 -7.121 9.256 1.00 0.00 O ATOM 406 CB GLU A 26 -14.961 -6.873 9.797 1.00 0.00 C ATOM 407 CG GLU A 26 -14.327 -6.932 11.189 1.00 0.00 C ATOM 408 CD GLU A 26 -15.139 -6.115 12.195 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.093 -6.760 12.777 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.858 -4.925 12.400 1.00 0.00 O ATOM 0 H GLU A 26 -15.268 -7.917 7.537 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.581 -5.821 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.582 -5.981 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.616 -7.732 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.266 -7.968 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.307 -6.551 11.145 1.00 0.00 H new ATOM 417 N CYS A 27 -12.888 -8.955 9.342 1.00 0.00 N ATOM 418 CA CYS A 27 -11.815 -9.846 9.751 1.00 0.00 C ATOM 419 C CYS A 27 -10.559 -9.484 8.953 1.00 0.00 C ATOM 420 O CYS A 27 -9.503 -9.234 9.531 1.00 0.00 O ATOM 421 CB CYS A 27 -12.200 -11.315 9.572 1.00 0.00 C ATOM 422 SG CYS A 27 -10.909 -12.394 10.294 1.00 0.00 S ATOM 0 H CYS A 27 -13.798 -9.403 9.238 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.618 -9.717 10.815 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.159 -11.509 10.053 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.323 -11.541 8.513 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.247 -13.639 10.138 1.00 0.00 H new ATOM 428 N VAL A 28 -10.718 -9.467 7.638 1.00 0.00 N ATOM 429 CA VAL A 28 -9.611 -9.139 6.755 1.00 0.00 C ATOM 430 C VAL A 28 -8.884 -7.906 7.293 1.00 0.00 C ATOM 431 O VAL A 28 -7.655 -7.883 7.356 1.00 0.00 O ATOM 432 CB VAL A 28 -10.120 -8.956 5.324 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.040 -8.337 4.434 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.613 -10.284 4.744 1.00 0.00 C ATOM 0 H VAL A 28 -11.596 -9.675 7.162 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.889 -9.955 6.727 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.965 -8.268 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.427 -8.217 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.756 -7.363 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.167 -8.989 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.970 -10.126 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.794 -11.003 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.427 -10.669 5.358 1.00 0.00 H new ATOM 444 N ARG A 29 -9.672 -6.909 7.668 1.00 0.00 N ATOM 445 CA ARG A 29 -9.119 -5.675 8.197 1.00 0.00 C ATOM 446 C ARG A 29 -8.535 -5.911 9.593 1.00 0.00 C ATOM 447 O ARG A 29 -7.378 -5.583 9.849 1.00 0.00 O ATOM 448 CB ARG A 29 -10.185 -4.581 8.277 1.00 0.00 C ATOM 449 CG ARG A 29 -9.757 -3.340 7.493 1.00 0.00 C ATOM 450 CD ARG A 29 -10.918 -2.788 6.663 1.00 0.00 C ATOM 451 NE ARG A 29 -11.052 -1.330 6.885 1.00 0.00 N ATOM 452 CZ ARG A 29 -12.041 -0.581 6.379 1.00 0.00 C ATOM 453 NH1 ARG A 29 -12.987 -1.146 5.618 1.00 0.00 N ATOM 454 NH2 ARG A 29 -12.082 0.734 6.634 1.00 0.00 N ATOM 0 H ARG A 29 -10.690 -6.931 7.616 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.331 -5.348 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.128 -4.958 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.360 -4.315 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.402 -2.574 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.923 -3.590 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.747 -2.989 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.844 -3.293 6.938 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.347 -0.867 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.955 -2.147 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.740 -0.576 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.361 1.164 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.835 1.305 6.249 1.00 0.00 H new ATOM 468 N SER A 30 -9.364 -6.477 10.457 1.00 0.00 N ATOM 469 CA SER A 30 -8.946 -6.762 11.820 1.00 0.00 C ATOM 470 C SER A 30 -7.496 -7.251 11.831 1.00 0.00 C ATOM 471 O SER A 30 -6.685 -6.782 12.628 1.00 0.00 O ATOM 472 CB SER A 30 -9.861 -7.799 12.471 1.00 0.00 C ATOM 473 OG SER A 30 -9.424 -9.132 12.218 1.00 0.00 O ATOM 0 H SER A 30 -10.324 -6.746 10.240 1.00 0.00 H new ATOM 0 HA SER A 30 -9.017 -5.841 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.896 -7.627 13.547 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.876 -7.673 12.095 1.00 0.00 H new ATOM 0 HG SER A 30 -9.487 -9.320 11.258 1.00 0.00 H new ATOM 479 N ILE A 31 -7.215 -8.186 10.936 1.00 0.00 N ATOM 480 CA ILE A 31 -5.876 -8.744 10.833 1.00 0.00 C ATOM 481 C ILE A 31 -4.848 -7.618 10.960 1.00 0.00 C ATOM 482 O ILE A 31 -4.961 -6.591 10.292 1.00 0.00 O ATOM 483 CB ILE A 31 -5.735 -9.563 9.548 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.653 -10.787 9.574 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.275 -9.947 9.300 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.826 -11.373 8.172 1.00 0.00 C ATOM 0 H ILE A 31 -7.890 -8.572 10.276 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.689 -9.441 11.650 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.051 -8.941 8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.237 -11.544 10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.626 -10.508 9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.203 -10.528 8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.672 -9.044 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.908 -10.543 10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.483 -12.242 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.265 -10.622 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.854 -11.674 7.781 1.00 0.00 H new ATOM 498 N GLN A 32 -3.869 -7.849 11.822 1.00 0.00 N ATOM 499 CA GLN A 32 -2.822 -6.867 12.046 1.00 0.00 C ATOM 500 C GLN A 32 -1.453 -7.551 12.092 1.00 0.00 C ATOM 501 O GLN A 32 -1.353 -8.719 12.465 1.00 0.00 O ATOM 502 CB GLN A 32 -3.081 -6.071 13.326 1.00 0.00 C ATOM 503 CG GLN A 32 -3.097 -4.568 13.043 1.00 0.00 C ATOM 504 CD GLN A 32 -3.355 -3.772 14.324 1.00 0.00 C ATOM 505 OE1 GLN A 32 -2.506 -3.651 15.192 1.00 0.00 O ATOM 506 NE2 GLN A 32 -4.570 -3.236 14.394 1.00 0.00 N ATOM 0 H GLN A 32 -3.779 -8.702 12.374 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.827 -6.164 11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.034 -6.373 13.760 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.310 -6.298 14.062 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.144 -4.266 12.609 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.869 -4.341 12.308 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.234 -3.376 13.632 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.838 -2.685 15.210 1.00 0.00 H new ATOM 515 N ALA A 33 -0.436 -6.795 11.710 1.00 0.00 N ATOM 516 CA ALA A 33 0.921 -7.313 11.704 1.00 0.00 C ATOM 517 C ALA A 33 1.909 -6.145 11.710 1.00 0.00 C ATOM 518 O ALA A 33 1.522 -4.999 11.488 1.00 0.00 O ATOM 519 CB ALA A 33 1.112 -8.231 10.494 1.00 0.00 C ATOM 0 H ALA A 33 -0.524 -5.827 11.402 1.00 0.00 H new ATOM 0 HA ALA A 33 1.108 -7.908 12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.130 -8.620 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.407 -9.060 10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.935 -7.667 9.578 1.00 0.00 H new ATOM 525 N ASP A 34 3.166 -6.476 11.966 1.00 0.00 N ATOM 526 CA ASP A 34 4.213 -5.469 12.004 1.00 0.00 C ATOM 527 C ASP A 34 4.529 -5.014 10.579 1.00 0.00 C ATOM 528 O ASP A 34 4.826 -5.835 9.713 1.00 0.00 O ATOM 529 CB ASP A 34 5.497 -6.032 12.617 1.00 0.00 C ATOM 530 CG ASP A 34 6.232 -5.082 13.565 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.584 -3.953 13.193 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.445 -5.549 14.748 1.00 0.00 O ATOM 0 H ASP A 34 3.483 -7.428 12.149 1.00 0.00 H new ATOM 0 HA ASP A 34 3.858 -4.637 12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.253 -6.945 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.174 -6.312 11.810 1.00 0.00 H new ATOM 537 N GLY A 35 4.454 -3.706 10.379 1.00 0.00 N ATOM 538 CA GLY A 35 4.728 -3.131 9.073 1.00 0.00 C ATOM 539 C GLY A 35 3.605 -3.454 8.085 1.00 0.00 C ATOM 540 O GLY A 35 3.742 -3.221 6.885 1.00 0.00 O ATOM 0 H GLY A 35 4.207 -3.028 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.838 -2.050 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.674 -3.517 8.693 1.00 0.00 H new ATOM 544 N LEU A 36 2.519 -3.985 8.627 1.00 0.00 N ATOM 545 CA LEU A 36 1.372 -4.342 7.808 1.00 0.00 C ATOM 546 C LEU A 36 0.366 -3.190 7.817 1.00 0.00 C ATOM 547 O LEU A 36 -0.105 -2.781 8.877 1.00 0.00 O ATOM 548 CB LEU A 36 0.782 -5.678 8.266 1.00 0.00 C ATOM 549 CG LEU A 36 -0.491 -6.129 7.549 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.540 -7.653 7.425 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.737 -5.570 8.240 1.00 0.00 C ATOM 0 H LEU A 36 2.409 -4.177 9.623 1.00 0.00 H new ATOM 0 HA LEU A 36 1.675 -4.492 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.540 -6.450 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.570 -5.612 9.333 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.475 -5.724 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.455 -7.947 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.323 -8.000 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.522 -8.100 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.628 -5.906 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.772 -5.925 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.699 -4.481 8.233 1.00 0.00 H new ATOM 563 N VAL A 37 0.066 -2.699 6.624 1.00 0.00 N ATOM 564 CA VAL A 37 -0.876 -1.603 6.481 1.00 0.00 C ATOM 565 C VAL A 37 -2.126 -2.101 5.754 1.00 0.00 C ATOM 566 O VAL A 37 -2.026 -2.782 4.735 1.00 0.00 O ATOM 567 CB VAL A 37 -0.203 -0.424 5.775 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.244 0.569 5.252 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.801 0.269 6.698 1.00 0.00 C ATOM 0 H VAL A 37 0.459 -3.040 5.747 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.192 -1.241 7.459 1.00 0.00 H new ATOM 0 HB VAL A 37 0.346 -0.816 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.739 1.397 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.902 0.067 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.833 0.951 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.264 1.103 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.285 0.641 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.570 -0.442 6.999 1.00 0.00 H new ATOM 579 N TRP A 38 -3.276 -1.742 6.305 1.00 0.00 N ATOM 580 CA TRP A 38 -4.544 -2.144 5.722 1.00 0.00 C ATOM 581 C TRP A 38 -5.141 -0.931 5.006 1.00 0.00 C ATOM 582 O TRP A 38 -5.429 0.086 5.634 1.00 0.00 O ATOM 583 CB TRP A 38 -5.477 -2.728 6.786 1.00 0.00 C ATOM 584 CG TRP A 38 -5.365 -4.246 6.946 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.184 -4.945 8.073 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.435 -5.229 5.891 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.132 -6.301 7.825 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.291 -6.479 6.456 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.616 -5.065 4.506 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.311 -7.664 5.710 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.634 -6.259 3.775 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.490 -7.526 4.328 1.00 0.00 C ATOM 0 H TRP A 38 -3.356 -1.176 7.150 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.397 -2.942 4.994 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.260 -2.255 7.744 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.506 -2.475 6.531 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.090 -4.503 9.054 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.001 -7.037 8.519 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.732 -4.096 4.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.195 -8.632 6.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.769 -6.191 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.516 -8.400 3.695 1.00 0.00 H new ATOM 603 N GLY A 39 -5.308 -1.079 3.700 1.00 0.00 N ATOM 604 CA GLY A 39 -5.865 -0.008 2.891 1.00 0.00 C ATOM 605 C GLY A 39 -7.377 -0.173 2.729 1.00 0.00 C ATOM 606 O GLY A 39 -8.050 -0.682 3.624 1.00 0.00 O ATOM 0 H GLY A 39 -5.067 -1.924 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.648 0.954 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.389 -0.003 1.910 1.00 0.00 H new ATOM 610 N SER A 40 -7.869 0.265 1.579 1.00 0.00 N ATOM 611 CA SER A 40 -9.289 0.172 1.287 1.00 0.00 C ATOM 612 C SER A 40 -9.573 -1.091 0.472 1.00 0.00 C ATOM 613 O SER A 40 -8.787 -1.464 -0.398 1.00 0.00 O ATOM 614 CB SER A 40 -9.779 1.410 0.535 1.00 0.00 C ATOM 615 OG SER A 40 -9.573 1.298 -0.871 1.00 0.00 O ATOM 0 H SER A 40 -7.308 0.686 0.838 1.00 0.00 H new ATOM 0 HA SER A 40 -9.830 0.117 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.840 1.559 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.257 2.291 0.909 1.00 0.00 H new ATOM 0 HG SER A 40 -9.901 2.108 -1.315 1.00 0.00 H new ATOM 621 N SER A 41 -10.701 -1.715 0.782 1.00 0.00 N ATOM 622 CA SER A 41 -11.100 -2.928 0.090 1.00 0.00 C ATOM 623 C SER A 41 -12.082 -2.591 -1.034 1.00 0.00 C ATOM 624 O SER A 41 -12.647 -1.499 -1.063 1.00 0.00 O ATOM 625 CB SER A 41 -11.726 -3.935 1.057 1.00 0.00 C ATOM 626 OG SER A 41 -12.898 -3.417 1.681 1.00 0.00 O ATOM 0 H SER A 41 -11.351 -1.402 1.503 1.00 0.00 H new ATOM 0 HA SER A 41 -10.208 -3.384 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.976 -4.849 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.997 -4.205 1.821 1.00 0.00 H new ATOM 0 HG SER A 41 -13.087 -3.926 2.497 1.00 0.00 H new ATOM 632 N LYS A 42 -12.255 -3.549 -1.933 1.00 0.00 N ATOM 633 CA LYS A 42 -13.159 -3.367 -3.056 1.00 0.00 C ATOM 634 C LYS A 42 -14.133 -4.545 -3.118 1.00 0.00 C ATOM 635 O LYS A 42 -13.863 -5.607 -2.560 1.00 0.00 O ATOM 636 CB LYS A 42 -12.370 -3.153 -4.350 1.00 0.00 C ATOM 637 CG LYS A 42 -11.158 -2.250 -4.111 1.00 0.00 C ATOM 638 CD LYS A 42 -10.452 -1.920 -5.427 1.00 0.00 C ATOM 639 CE LYS A 42 -11.384 -1.159 -6.372 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.814 0.166 -6.707 1.00 0.00 N ATOM 0 H LYS A 42 -11.784 -4.454 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.757 -2.466 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.039 -4.115 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.017 -2.707 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.477 -1.328 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.461 -2.743 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.563 -1.322 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.116 -2.840 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.538 -1.736 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.361 -1.034 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.459 0.669 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.690 0.721 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.892 0.040 -7.171 1.00 0.00 H new ATOM 654 N LEU A 43 -15.245 -4.317 -3.799 1.00 0.00 N ATOM 655 CA LEU A 43 -16.262 -5.345 -3.940 1.00 0.00 C ATOM 656 C LEU A 43 -16.555 -5.566 -5.425 1.00 0.00 C ATOM 657 O LEU A 43 -16.475 -4.633 -6.223 1.00 0.00 O ATOM 658 CB LEU A 43 -17.500 -4.993 -3.114 1.00 0.00 C ATOM 659 CG LEU A 43 -17.570 -5.605 -1.714 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.593 -7.133 -1.786 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.432 -5.090 -0.832 1.00 0.00 C ATOM 0 H LEU A 43 -15.465 -3.434 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.902 -6.293 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.551 -3.908 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.384 -5.306 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.504 -5.289 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.643 -7.544 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.465 -7.457 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.687 -7.488 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.506 -5.541 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.475 -5.355 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.503 -4.006 -0.743 1.00 0.00 H new ATOM 673 N VAL A 44 -16.889 -6.806 -5.752 1.00 0.00 N ATOM 674 CA VAL A 44 -17.195 -7.161 -7.127 1.00 0.00 C ATOM 675 C VAL A 44 -18.319 -8.198 -7.144 1.00 0.00 C ATOM 676 O VAL A 44 -18.089 -9.374 -6.862 1.00 0.00 O ATOM 677 CB VAL A 44 -15.928 -7.641 -7.837 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.274 -8.532 -9.032 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.060 -6.458 -8.270 1.00 0.00 C ATOM 0 H VAL A 44 -16.954 -7.577 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.550 -6.289 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.353 -8.237 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.356 -8.860 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.833 -9.402 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -16.881 -7.969 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.166 -6.827 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.624 -5.824 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.771 -5.879 -7.393 1.00 0.00 H new ATOM 689 N PRO A 45 -19.543 -7.715 -7.486 1.00 0.00 N ATOM 690 CA PRO A 45 -20.705 -8.586 -7.542 1.00 0.00 C ATOM 691 C PRO A 45 -20.666 -9.468 -8.791 1.00 0.00 C ATOM 692 O PRO A 45 -20.331 -8.999 -9.878 1.00 0.00 O ATOM 693 CB PRO A 45 -21.901 -7.651 -7.512 1.00 0.00 C ATOM 694 CG PRO A 45 -21.371 -6.282 -7.908 1.00 0.00 C ATOM 695 CD PRO A 45 -19.853 -6.329 -7.826 1.00 0.00 C ATOM 0 HA PRO A 45 -20.746 -9.288 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.675 -7.985 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.350 -7.624 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.691 -6.026 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.766 -5.513 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.396 -6.042 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.476 -5.642 -7.069 1.00 0.00 H new ATOM 703 N VAL A 46 -21.015 -10.732 -8.595 1.00 0.00 N ATOM 704 CA VAL A 46 -21.025 -11.685 -9.693 1.00 0.00 C ATOM 705 C VAL A 46 -22.452 -11.826 -10.226 1.00 0.00 C ATOM 706 O VAL A 46 -22.660 -12.332 -11.328 1.00 0.00 O ATOM 707 CB VAL A 46 -20.423 -13.015 -9.236 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.374 -13.752 -8.290 1.00 0.00 C ATOM 709 CG2 VAL A 46 -20.055 -13.890 -10.436 1.00 0.00 C ATOM 0 H VAL A 46 -21.293 -11.118 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.405 -11.328 -10.515 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.507 -12.797 -8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.922 -14.694 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -21.564 -13.135 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -22.315 -13.953 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.629 -14.830 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.949 -14.095 -11.025 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.324 -13.370 -11.055 1.00 0.00 H new ATOM 719 N GLY A 47 -23.399 -11.370 -9.420 1.00 0.00 N ATOM 720 CA GLY A 47 -24.800 -11.440 -9.798 1.00 0.00 C ATOM 721 C GLY A 47 -25.702 -11.442 -8.561 1.00 0.00 C ATOM 722 O GLY A 47 -26.523 -12.342 -8.389 1.00 0.00 O ATOM 0 H GLY A 47 -23.224 -10.951 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.052 -10.592 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.978 -12.342 -10.384 1.00 0.00 H new ATOM 726 N TYR A 48 -25.518 -10.426 -7.732 1.00 0.00 N ATOM 727 CA TYR A 48 -26.304 -10.300 -6.516 1.00 0.00 C ATOM 728 C TYR A 48 -26.149 -11.538 -5.632 1.00 0.00 C ATOM 729 O TYR A 48 -25.669 -12.575 -6.088 1.00 0.00 O ATOM 730 CB TYR A 48 -27.762 -10.189 -6.967 1.00 0.00 C ATOM 731 CG TYR A 48 -28.511 -8.998 -6.365 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.383 -7.746 -6.929 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.314 -9.177 -5.257 1.00 0.00 C ATOM 734 CE1 TYR A 48 -29.088 -6.625 -6.363 1.00 0.00 C ATOM 735 CE2 TYR A 48 -30.019 -8.056 -4.690 1.00 0.00 C ATOM 736 CZ TYR A 48 -29.871 -6.836 -5.271 1.00 0.00 C ATOM 737 OH TYR A 48 -30.537 -5.777 -4.736 1.00 0.00 O ATOM 0 H TYR A 48 -24.836 -9.682 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 48 -25.978 -9.436 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -27.790 -10.111 -8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -28.285 -11.107 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -27.754 -7.606 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -29.414 -10.157 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.997 -5.640 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -30.651 -8.182 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.058 -6.076 -3.961 1.00 0.00 H new ATOM 747 N GLY A 49 -26.564 -11.390 -4.382 1.00 0.00 N ATOM 748 CA GLY A 49 -26.477 -12.484 -3.430 1.00 0.00 C ATOM 749 C GLY A 49 -25.027 -12.727 -3.006 1.00 0.00 C ATOM 750 O GLY A 49 -24.699 -12.641 -1.823 1.00 0.00 O ATOM 0 H GLY A 49 -26.961 -10.529 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.083 -12.257 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -26.887 -13.391 -3.874 1.00 0.00 H new ATOM 754 N ILE A 50 -24.197 -13.028 -3.995 1.00 0.00 N ATOM 755 CA ILE A 50 -22.791 -13.284 -3.739 1.00 0.00 C ATOM 756 C ILE A 50 -21.960 -12.104 -4.248 1.00 0.00 C ATOM 757 O ILE A 50 -22.415 -11.341 -5.099 1.00 0.00 O ATOM 758 CB ILE A 50 -22.375 -14.630 -4.336 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.103 -15.785 -3.645 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.855 -14.804 -4.293 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.228 -16.330 -4.526 1.00 0.00 C ATOM 0 H ILE A 50 -24.472 -13.100 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.608 -13.365 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.671 -14.643 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.395 -16.582 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.513 -15.444 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.587 -15.769 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.381 -14.007 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.513 -14.760 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.729 -17.150 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.947 -15.537 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.811 -16.693 -5.466 1.00 0.00 H new ATOM 773 N LYS A 51 -20.758 -11.989 -3.704 1.00 0.00 N ATOM 774 CA LYS A 51 -19.860 -10.914 -4.091 1.00 0.00 C ATOM 775 C LYS A 51 -18.413 -11.372 -3.901 1.00 0.00 C ATOM 776 O LYS A 51 -18.156 -12.369 -3.229 1.00 0.00 O ATOM 777 CB LYS A 51 -20.204 -9.630 -3.335 1.00 0.00 C ATOM 778 CG LYS A 51 -21.125 -8.735 -4.165 1.00 0.00 C ATOM 779 CD LYS A 51 -22.221 -8.117 -3.295 1.00 0.00 C ATOM 780 CE LYS A 51 -22.470 -6.658 -3.679 1.00 0.00 C ATOM 781 NZ LYS A 51 -23.845 -6.251 -3.309 1.00 0.00 N ATOM 0 H LYS A 51 -20.384 -12.623 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.983 -10.676 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.687 -9.879 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.289 -9.090 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.541 -7.944 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.578 -9.318 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.143 -8.688 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.933 -8.176 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.747 -6.015 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.322 -6.528 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.997 -5.258 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.531 -6.853 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.974 -6.356 -2.282 1.00 0.00 H new ATOM 795 N LYS A 52 -17.504 -10.620 -4.506 1.00 0.00 N ATOM 796 CA LYS A 52 -16.089 -10.936 -4.411 1.00 0.00 C ATOM 797 C LYS A 52 -15.514 -10.307 -3.140 1.00 0.00 C ATOM 798 O LYS A 52 -15.943 -9.230 -2.727 1.00 0.00 O ATOM 799 CB LYS A 52 -15.360 -10.515 -5.689 1.00 0.00 C ATOM 800 CG LYS A 52 -14.653 -11.708 -6.335 1.00 0.00 C ATOM 801 CD LYS A 52 -13.994 -11.305 -7.655 1.00 0.00 C ATOM 802 CE LYS A 52 -13.073 -12.414 -8.169 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.344 -12.692 -9.598 1.00 0.00 N ATOM 0 H LYS A 52 -17.720 -9.793 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.944 -12.013 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.072 -10.085 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.632 -9.738 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.899 -12.101 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.371 -12.509 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.762 -11.091 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.422 -10.388 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.032 -12.119 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.222 -13.320 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.711 -13.447 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.333 -12.994 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.179 -11.830 -10.157 1.00 0.00 H new ATOM 817 N LEU A 53 -14.553 -11.007 -2.554 1.00 0.00 N ATOM 818 CA LEU A 53 -13.915 -10.530 -1.338 1.00 0.00 C ATOM 819 C LEU A 53 -12.547 -9.939 -1.683 1.00 0.00 C ATOM 820 O LEU A 53 -11.516 -10.485 -1.294 1.00 0.00 O ATOM 821 CB LEU A 53 -13.858 -11.644 -0.292 1.00 0.00 C ATOM 822 CG LEU A 53 -14.597 -11.371 1.020 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.722 -10.570 1.985 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.940 -10.686 0.760 1.00 0.00 C ATOM 0 H LEU A 53 -14.201 -11.900 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.503 -9.730 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.268 -12.552 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.812 -11.846 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.811 -12.327 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.271 -10.390 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.815 -11.132 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.456 -9.616 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.445 -10.503 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.772 -9.738 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.561 -11.328 0.136 1.00 0.00 H new ATOM 836 N GLN A 54 -12.582 -8.831 -2.409 1.00 0.00 N ATOM 837 CA GLN A 54 -11.357 -8.161 -2.810 1.00 0.00 C ATOM 838 C GLN A 54 -10.958 -7.115 -1.767 1.00 0.00 C ATOM 839 O GLN A 54 -11.808 -6.384 -1.259 1.00 0.00 O ATOM 840 CB GLN A 54 -11.508 -7.524 -4.194 1.00 0.00 C ATOM 841 CG GLN A 54 -10.294 -6.658 -4.535 1.00 0.00 C ATOM 842 CD GLN A 54 -9.672 -7.086 -5.865 1.00 0.00 C ATOM 843 OE1 GLN A 54 -8.751 -7.885 -5.922 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.225 -6.513 -6.931 1.00 0.00 N ATOM 0 H GLN A 54 -13.439 -8.381 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.563 -8.905 -2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.625 -8.304 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.412 -6.916 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.593 -5.611 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.552 -6.737 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.993 -5.852 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.881 -6.734 -7.865 1.00 0.00 H new ATOM 853 N ILE A 55 -9.666 -7.076 -1.479 1.00 0.00 N ATOM 854 CA ILE A 55 -9.144 -6.132 -0.505 1.00 0.00 C ATOM 855 C ILE A 55 -7.718 -5.740 -0.896 1.00 0.00 C ATOM 856 O ILE A 55 -7.015 -6.508 -1.552 1.00 0.00 O ATOM 857 CB ILE A 55 -9.259 -6.703 0.910 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.916 -7.259 1.388 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.373 -7.748 0.990 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.513 -8.493 0.577 1.00 0.00 C ATOM 0 H ILE A 55 -8.964 -7.683 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.738 -5.218 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.530 -5.891 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.147 -6.492 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.981 -7.519 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.434 -8.138 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.324 -7.288 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.157 -8.564 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.555 -8.868 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.272 -9.267 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.425 -8.224 -0.476 1.00 0.00 H new ATOM 872 N GLN A 56 -7.331 -4.544 -0.477 1.00 0.00 N ATOM 873 CA GLN A 56 -6.001 -4.040 -0.774 1.00 0.00 C ATOM 874 C GLN A 56 -5.203 -3.854 0.517 1.00 0.00 C ATOM 875 O GLN A 56 -5.760 -3.479 1.547 1.00 0.00 O ATOM 876 CB GLN A 56 -6.075 -2.732 -1.566 1.00 0.00 C ATOM 877 CG GLN A 56 -4.675 -2.217 -1.905 1.00 0.00 C ATOM 878 CD GLN A 56 -4.095 -2.958 -3.111 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.622 -2.915 -4.211 1.00 0.00 O ATOM 880 NE2 GLN A 56 -2.984 -3.639 -2.846 1.00 0.00 N ATOM 0 H GLN A 56 -7.916 -3.909 0.066 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.486 -4.774 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.641 -2.890 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.612 -1.981 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.718 -1.149 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.018 -2.345 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.595 -3.633 -1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.521 -4.167 -3.586 1.00 0.00 H new ATOM 889 N CYS A 57 -3.909 -4.126 0.420 1.00 0.00 N ATOM 890 CA CYS A 57 -3.029 -3.994 1.568 1.00 0.00 C ATOM 891 C CYS A 57 -1.735 -3.321 1.106 1.00 0.00 C ATOM 892 O CYS A 57 -1.431 -3.304 -0.086 1.00 0.00 O ATOM 893 CB CYS A 57 -2.763 -5.345 2.235 1.00 0.00 C ATOM 894 SG CYS A 57 -2.678 -6.662 0.969 1.00 0.00 S ATOM 0 H CYS A 57 -3.450 -4.437 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.508 -3.376 2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.828 -5.306 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.554 -5.568 2.951 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.506 -6.127 -0.203 1.00 0.00 H new ATOM 900 N VAL A 58 -1.006 -2.784 2.074 1.00 0.00 N ATOM 901 CA VAL A 58 0.248 -2.112 1.780 1.00 0.00 C ATOM 902 C VAL A 58 1.353 -2.695 2.663 1.00 0.00 C ATOM 903 O VAL A 58 1.520 -2.281 3.809 1.00 0.00 O ATOM 904 CB VAL A 58 0.084 -0.599 1.949 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.377 0.136 1.591 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.091 -0.079 1.118 1.00 0.00 C ATOM 0 H VAL A 58 -1.260 -2.801 3.062 1.00 0.00 H new ATOM 0 HA VAL A 58 0.537 -2.280 0.743 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.134 -0.401 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.233 1.209 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.181 -0.203 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.639 -0.073 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.186 0.998 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.916 -0.296 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.010 -0.568 1.441 1.00 0.00 H new ATOM 916 N VAL A 59 2.078 -3.647 2.095 1.00 0.00 N ATOM 917 CA VAL A 59 3.162 -4.292 2.817 1.00 0.00 C ATOM 918 C VAL A 59 4.432 -3.450 2.681 1.00 0.00 C ATOM 919 O VAL A 59 4.478 -2.513 1.885 1.00 0.00 O ATOM 920 CB VAL A 59 3.341 -5.728 2.320 1.00 0.00 C ATOM 921 CG1 VAL A 59 2.027 -6.505 2.405 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.899 -5.749 0.895 1.00 0.00 C ATOM 0 H VAL A 59 1.937 -3.987 1.144 1.00 0.00 H new ATOM 0 HA VAL A 59 2.927 -4.357 3.879 1.00 0.00 H new ATOM 0 HB VAL A 59 4.064 -6.220 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.182 -7.522 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.687 -6.534 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.273 -6.014 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.017 -6.781 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.211 -5.231 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.868 -5.249 0.876 1.00 0.00 H new ATOM 932 N GLU A 60 5.433 -3.813 3.469 1.00 0.00 N ATOM 933 CA GLU A 60 6.700 -3.101 3.446 1.00 0.00 C ATOM 934 C GLU A 60 7.654 -3.749 2.442 1.00 0.00 C ATOM 935 O GLU A 60 8.557 -4.491 2.825 1.00 0.00 O ATOM 936 CB GLU A 60 7.325 -3.052 4.843 1.00 0.00 C ATOM 937 CG GLU A 60 7.448 -1.608 5.337 1.00 0.00 C ATOM 938 CD GLU A 60 8.861 -1.324 5.851 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.665 -2.255 6.001 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.110 -0.083 6.099 1.00 0.00 O ATOM 0 H GLU A 60 5.393 -4.591 4.128 1.00 0.00 H new ATOM 0 HA GLU A 60 6.513 -2.075 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.715 -3.628 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.310 -3.518 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.207 -0.921 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.725 -1.429 6.133 1.00 0.00 H new ATOM 947 N ASP A 61 7.420 -3.446 1.173 1.00 0.00 N ATOM 948 CA ASP A 61 8.248 -3.989 0.109 1.00 0.00 C ATOM 949 C ASP A 61 8.111 -5.513 0.091 1.00 0.00 C ATOM 950 O ASP A 61 7.377 -6.064 -0.729 1.00 0.00 O ATOM 951 CB ASP A 61 9.722 -3.650 0.330 1.00 0.00 C ATOM 952 CG ASP A 61 10.713 -4.662 -0.248 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.953 -4.531 -1.509 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.230 -5.532 0.469 1.00 0.00 O ATOM 0 H ASP A 61 6.669 -2.832 0.858 1.00 0.00 H new ATOM 0 HA ASP A 61 7.916 -3.553 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.925 -2.674 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.902 -3.560 1.401 1.00 0.00 H new ATOM 959 N ASP A 62 8.830 -6.151 1.003 1.00 0.00 N ATOM 960 CA ASP A 62 8.798 -7.600 1.102 1.00 0.00 C ATOM 961 C ASP A 62 8.846 -8.008 2.575 1.00 0.00 C ATOM 962 O ASP A 62 9.309 -9.099 2.907 1.00 0.00 O ATOM 963 CB ASP A 62 10.003 -8.227 0.399 1.00 0.00 C ATOM 964 CG ASP A 62 9.711 -9.527 -0.352 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.691 -10.616 0.240 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.492 -9.390 -1.616 1.00 0.00 O ATOM 0 H ASP A 62 9.438 -5.691 1.680 1.00 0.00 H new ATOM 0 HA ASP A 62 7.881 -7.950 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.411 -7.502 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.777 -8.420 1.141 1.00 0.00 H new ATOM 971 N LYS A 63 8.362 -7.110 3.421 1.00 0.00 N ATOM 972 CA LYS A 63 8.344 -7.363 4.852 1.00 0.00 C ATOM 973 C LYS A 63 7.098 -8.177 5.205 1.00 0.00 C ATOM 974 O LYS A 63 7.204 -9.259 5.782 1.00 0.00 O ATOM 975 CB LYS A 63 8.461 -6.050 5.629 1.00 0.00 C ATOM 976 CG LYS A 63 9.047 -6.288 7.022 1.00 0.00 C ATOM 977 CD LYS A 63 9.636 -4.999 7.598 1.00 0.00 C ATOM 978 CE LYS A 63 11.146 -4.931 7.356 1.00 0.00 C ATOM 979 NZ LYS A 63 11.439 -4.898 5.906 1.00 0.00 N ATOM 0 H LYS A 63 7.979 -6.206 3.143 1.00 0.00 H new ATOM 0 HA LYS A 63 9.209 -7.959 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.093 -5.353 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.478 -5.587 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.271 -6.666 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.821 -7.053 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.151 -4.137 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.433 -4.948 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.557 -4.043 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.632 -5.794 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.453 -4.716 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.187 -5.813 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.884 -4.142 5.457 1.00 0.00 H new ATOM 993 N VAL A 64 5.949 -7.628 4.846 1.00 0.00 N ATOM 994 CA VAL A 64 4.685 -8.290 5.118 1.00 0.00 C ATOM 995 C VAL A 64 4.216 -9.024 3.860 1.00 0.00 C ATOM 996 O VAL A 64 3.870 -8.395 2.862 1.00 0.00 O ATOM 997 CB VAL A 64 3.661 -7.275 5.632 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.348 -7.964 6.010 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.224 -6.481 6.813 1.00 0.00 C ATOM 0 H VAL A 64 5.866 -6.731 4.368 1.00 0.00 H new ATOM 0 HA VAL A 64 4.808 -9.035 5.904 1.00 0.00 H new ATOM 0 HB VAL A 64 3.450 -6.573 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.638 -7.220 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.934 -8.464 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.535 -8.699 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.478 -5.767 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.477 -7.165 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.120 -5.946 6.498 1.00 0.00 H new ATOM 1009 N GLY A 65 4.223 -10.346 3.948 1.00 0.00 N ATOM 1010 CA GLY A 65 3.803 -11.173 2.830 1.00 0.00 C ATOM 1011 C GLY A 65 2.335 -11.581 2.969 1.00 0.00 C ATOM 1012 O GLY A 65 1.768 -11.510 4.058 1.00 0.00 O ATOM 0 H GLY A 65 4.513 -10.865 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.946 -10.628 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.428 -12.064 2.778 1.00 0.00 H new ATOM 1016 N THR A 66 1.761 -12.000 1.850 1.00 0.00 N ATOM 1017 CA THR A 66 0.371 -12.418 1.833 1.00 0.00 C ATOM 1018 C THR A 66 0.222 -13.803 2.468 1.00 0.00 C ATOM 1019 O THR A 66 -0.864 -14.176 2.905 1.00 0.00 O ATOM 1020 CB THR A 66 -0.125 -12.357 0.387 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.612 -11.025 0.243 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.358 -13.231 0.152 1.00 0.00 C ATOM 0 H THR A 66 2.235 -12.059 0.949 1.00 0.00 H new ATOM 0 HA THR A 66 -0.249 -11.751 2.433 1.00 0.00 H new ATOM 0 HB THR A 66 0.675 -12.671 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.062 -10.478 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.668 -13.151 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.117 -14.269 0.380 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.169 -12.897 0.799 1.00 0.00 H new ATOM 1030 N ASP A 67 1.332 -14.526 2.497 1.00 0.00 N ATOM 1031 CA ASP A 67 1.340 -15.862 3.071 1.00 0.00 C ATOM 1032 C ASP A 67 0.584 -15.844 4.401 1.00 0.00 C ATOM 1033 O ASP A 67 -0.338 -16.632 4.606 1.00 0.00 O ATOM 1034 CB ASP A 67 2.768 -16.335 3.343 1.00 0.00 C ATOM 1035 CG ASP A 67 3.705 -15.269 3.917 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.326 -14.559 3.038 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.833 -15.125 5.142 1.00 0.00 O ATOM 0 H ASP A 67 2.232 -14.213 2.133 1.00 0.00 H new ATOM 0 HA ASP A 67 0.866 -16.539 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.730 -17.175 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.194 -16.709 2.412 1.00 0.00 H new ATOM 1042 N MET A 68 1.003 -14.938 5.271 1.00 0.00 N ATOM 1043 CA MET A 68 0.379 -14.808 6.576 1.00 0.00 C ATOM 1044 C MET A 68 -1.077 -14.353 6.445 1.00 0.00 C ATOM 1045 O MET A 68 -1.984 -15.006 6.957 1.00 0.00 O ATOM 1046 CB MET A 68 1.157 -13.794 7.417 1.00 0.00 C ATOM 1047 CG MET A 68 1.427 -14.338 8.821 1.00 0.00 C ATOM 1048 SD MET A 68 -0.069 -14.286 9.794 1.00 0.00 S ATOM 1049 CE MET A 68 -0.456 -12.548 9.675 1.00 0.00 C ATOM 0 H MET A 68 1.768 -14.286 5.098 1.00 0.00 H new ATOM 0 HA MET A 68 0.393 -15.783 7.063 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.102 -13.558 6.927 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.593 -12.864 7.486 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.795 -15.362 8.759 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.206 -13.749 9.305 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.817 -12.189 10.639 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.440 -11.994 9.394 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.227 -12.398 8.920 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.253 -13.236 5.754 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.582 -12.685 5.548 1.00 0.00 C ATOM 1061 C LEU A 69 -3.514 -13.789 5.045 1.00 0.00 C ATOM 1062 O LEU A 69 -4.645 -13.913 5.512 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.520 -11.464 4.628 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.329 -10.527 4.838 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.525 -9.215 4.076 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -1.071 -10.293 6.327 1.00 0.00 C ATOM 0 H LEU A 69 -0.498 -12.698 5.330 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.995 -12.323 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.506 -11.812 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.437 -10.889 4.758 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.439 -11.007 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.665 -8.566 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.622 -9.424 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.428 -8.719 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.219 -9.624 6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.953 -9.844 6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.856 -11.245 6.813 1.00 0.00 H new ATOM 1078 N GLU A 70 -3.004 -14.563 4.097 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.777 -15.653 3.525 1.00 0.00 C ATOM 1080 C GLU A 70 -4.121 -16.683 4.603 1.00 0.00 C ATOM 1081 O GLU A 70 -5.288 -17.024 4.789 1.00 0.00 O ATOM 1082 CB GLU A 70 -3.026 -16.305 2.363 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.799 -17.508 1.817 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.857 -18.497 1.127 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.772 -18.789 1.651 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.289 -18.969 0.006 1.00 0.00 O ATOM 0 H GLU A 70 -2.066 -14.457 3.711 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.708 -15.245 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.874 -15.575 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.038 -16.624 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.324 -18.008 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.556 -17.168 1.111 1.00 0.00 H new ATOM 1093 N GLU A 71 -3.084 -17.149 5.283 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.263 -18.133 6.338 1.00 0.00 C ATOM 1095 C GLU A 71 -4.187 -17.584 7.426 1.00 0.00 C ATOM 1096 O GLU A 71 -4.665 -18.334 8.276 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.915 -18.558 6.924 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.156 -19.464 5.954 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.045 -20.230 6.675 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -0.191 -20.565 7.861 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.999 -20.480 5.960 1.00 0.00 O ATOM 0 H GLU A 71 -2.118 -16.864 5.125 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.730 -19.019 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.316 -17.675 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.073 -19.081 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.848 -20.168 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.727 -18.865 5.151 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.410 -16.280 7.365 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.268 -15.621 8.334 1.00 0.00 C ATOM 1110 C GLN A 72 -6.663 -15.400 7.746 1.00 0.00 C ATOM 1111 O GLN A 72 -7.668 -15.695 8.391 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.655 -14.300 8.802 1.00 0.00 C ATOM 1113 CG GLN A 72 -3.235 -14.511 9.332 1.00 0.00 C ATOM 1114 CD GLN A 72 -3.194 -14.378 10.856 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -2.714 -13.402 11.408 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -3.725 -15.412 11.503 1.00 0.00 N ATOM 0 H GLN A 72 -4.011 -15.662 6.659 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.361 -16.269 9.206 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.636 -13.590 7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.277 -13.863 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.877 -15.498 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.562 -13.781 8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.110 -16.198 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.747 -15.419 12.523 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.680 -14.882 6.526 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.936 -14.618 5.843 1.00 0.00 C ATOM 1127 C ILE A 73 -8.559 -15.943 5.401 1.00 0.00 C ATOM 1128 O ILE A 73 -9.715 -16.226 5.715 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.723 -13.626 4.698 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.035 -12.354 5.195 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.043 -13.322 3.984 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.166 -11.736 4.098 1.00 0.00 C ATOM 0 H ILE A 73 -5.845 -14.638 5.993 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.646 -14.142 6.519 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.059 -14.086 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.786 -11.633 5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.420 -12.585 6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.864 -12.614 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.456 -14.244 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.749 -12.891 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.688 -10.833 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.401 -12.451 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.789 -11.484 3.240 1.00 0.00 H new ATOM 1144 N THR A 74 -7.766 -16.722 4.679 1.00 0.00 N ATOM 1145 CA THR A 74 -8.226 -18.011 4.191 1.00 0.00 C ATOM 1146 C THR A 74 -8.256 -19.033 5.329 1.00 0.00 C ATOM 1147 O THR A 74 -8.631 -20.186 5.123 1.00 0.00 O ATOM 1148 CB THR A 74 -7.324 -18.425 3.027 1.00 0.00 C ATOM 1149 OG1 THR A 74 -6.154 -18.937 3.659 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.818 -17.225 2.222 1.00 0.00 C ATOM 0 H THR A 74 -6.808 -16.485 4.420 1.00 0.00 H new ATOM 0 HA THR A 74 -9.250 -17.951 3.823 1.00 0.00 H new ATOM 0 HB THR A 74 -7.870 -19.100 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.829 -18.289 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.183 -17.575 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.667 -16.679 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.244 -16.566 2.873 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.857 -18.572 6.506 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.834 -19.432 7.677 1.00 0.00 C ATOM 1160 C ALA A 75 -9.260 -19.883 8.002 1.00 0.00 C ATOM 1161 O ALA A 75 -9.457 -20.821 8.772 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.178 -18.689 8.842 1.00 0.00 C ATOM 0 H ALA A 75 -7.547 -17.615 6.673 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.241 -20.326 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.160 -19.334 9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.158 -18.416 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.748 -17.787 9.065 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.217 -19.193 7.398 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.618 -19.511 7.614 1.00 0.00 C ATOM 1170 C PHE A 76 -12.193 -20.284 6.425 1.00 0.00 C ATOM 1171 O PHE A 76 -12.681 -19.684 5.468 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.362 -18.181 7.751 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.738 -17.825 9.191 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.368 -18.739 9.977 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.442 -16.593 9.685 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.716 -18.408 11.312 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.790 -16.261 11.022 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.420 -17.176 11.807 1.00 0.00 C ATOM 0 H PHE A 76 -10.049 -18.415 6.760 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.727 -20.131 8.504 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.741 -17.385 7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.269 -18.220 7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.603 -19.717 9.585 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.942 -15.867 9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.216 -19.134 11.935 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.554 -15.283 11.415 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.685 -16.924 12.823 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.119 -21.602 6.525 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.627 -22.464 5.472 1.00 0.00 C ATOM 1190 C GLU A 77 -14.156 -22.498 5.505 1.00 0.00 C ATOM 1191 O GLU A 77 -14.785 -23.103 4.639 1.00 0.00 O ATOM 1192 CB GLU A 77 -12.043 -23.874 5.586 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.134 -24.189 4.397 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.681 -25.364 3.585 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.695 -25.216 2.887 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -11.013 -26.462 3.695 1.00 0.00 O ATOM 0 H GLU A 77 -11.714 -22.095 7.321 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.313 -22.055 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.478 -23.963 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.851 -24.604 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.047 -23.310 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.131 -24.424 4.754 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.709 -21.842 6.514 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.153 -21.790 6.672 1.00 0.00 C ATOM 1205 C ASP A 78 -16.675 -20.462 6.119 1.00 0.00 C ATOM 1206 O ASP A 78 -17.792 -20.053 6.429 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.549 -21.877 8.147 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.902 -22.537 8.416 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -18.913 -21.737 8.399 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.986 -23.756 8.629 1.00 0.00 O ATOM 0 H ASP A 78 -14.183 -21.342 7.231 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.582 -22.635 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.778 -22.432 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.564 -20.870 8.563 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.840 -19.825 5.311 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.203 -18.553 4.712 1.00 0.00 C ATOM 1217 C TYR A 79 -15.502 -18.360 3.366 1.00 0.00 C ATOM 1218 O TYR A 79 -16.126 -17.950 2.390 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.719 -17.475 5.685 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.445 -17.481 7.031 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.077 -18.383 8.010 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.469 -16.585 7.267 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -16.762 -18.388 9.278 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.152 -16.591 8.535 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.765 -17.492 9.477 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.411 -17.497 10.674 1.00 0.00 O ATOM 0 H TYR A 79 -14.913 -20.167 5.057 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.278 -18.505 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.651 -17.610 5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.845 -16.497 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.276 -19.084 7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.757 -15.880 6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.485 -19.088 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -18.954 -15.895 8.733 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.103 -16.803 10.675 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.212 -18.664 3.359 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.418 -18.528 2.149 1.00 0.00 C ATOM 1238 C VAL A 80 -13.580 -19.788 1.295 1.00 0.00 C ATOM 1239 O VAL A 80 -13.309 -20.894 1.758 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.961 -18.233 2.509 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.044 -18.439 1.301 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.812 -16.820 3.076 1.00 0.00 C ATOM 0 H VAL A 80 -13.697 -19.004 4.171 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.768 -17.684 1.555 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.658 -18.938 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.014 -18.222 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.117 -19.472 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.347 -17.770 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.767 -16.636 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.142 -16.093 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.421 -16.723 3.975 1.00 0.00 H new ATOM 1252 N GLN A 81 -14.020 -19.577 0.063 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.221 -20.681 -0.859 1.00 0.00 C ATOM 1254 C GLN A 81 -12.904 -21.042 -1.550 1.00 0.00 C ATOM 1255 O GLN A 81 -12.606 -22.219 -1.748 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.304 -20.348 -1.887 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.620 -21.560 -2.764 1.00 0.00 C ATOM 1258 CD GLN A 81 -16.028 -21.126 -4.173 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -17.078 -20.546 -4.393 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -15.141 -21.440 -5.114 1.00 0.00 N ATOM 0 H GLN A 81 -14.243 -18.657 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.560 -21.546 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.208 -20.020 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.974 -19.519 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.748 -22.211 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.424 -22.141 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.281 -21.926 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.321 -21.194 -6.087 1.00 0.00 H new ATOM 1269 N SER A 82 -12.151 -20.009 -1.895 1.00 0.00 N ATOM 1270 CA SER A 82 -10.873 -20.202 -2.559 1.00 0.00 C ATOM 1271 C SER A 82 -10.204 -18.849 -2.811 1.00 0.00 C ATOM 1272 O SER A 82 -10.693 -18.048 -3.605 1.00 0.00 O ATOM 1273 CB SER A 82 -11.046 -20.962 -3.876 1.00 0.00 C ATOM 1274 OG SER A 82 -11.178 -22.365 -3.669 1.00 0.00 O ATOM 0 H SER A 82 -12.401 -19.035 -1.727 1.00 0.00 H new ATOM 0 HA SER A 82 -10.236 -20.799 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.927 -20.588 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.189 -20.770 -4.521 1.00 0.00 H new ATOM 0 HG SER A 82 -11.954 -22.540 -3.096 1.00 0.00 H new ATOM 1280 N MET A 83 -9.094 -18.637 -2.119 1.00 0.00 N ATOM 1281 CA MET A 83 -8.353 -17.395 -2.256 1.00 0.00 C ATOM 1282 C MET A 83 -7.434 -17.439 -3.479 1.00 0.00 C ATOM 1283 O MET A 83 -6.990 -18.511 -3.890 1.00 0.00 O ATOM 1284 CB MET A 83 -7.517 -17.156 -0.998 1.00 0.00 C ATOM 1285 CG MET A 83 -6.569 -15.969 -1.185 1.00 0.00 C ATOM 1286 SD MET A 83 -5.039 -16.520 -1.918 1.00 0.00 S ATOM 1287 CE MET A 83 -3.880 -15.502 -1.020 1.00 0.00 C ATOM 0 H MET A 83 -8.690 -19.305 -1.462 1.00 0.00 H new ATOM 0 HA MET A 83 -9.066 -16.581 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.176 -16.970 -0.150 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.942 -18.052 -0.764 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.036 -15.217 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.371 -15.496 -0.223 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.996 -16.089 -0.773 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.590 -14.651 -1.636 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.346 -15.144 -0.102 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.173 -16.260 -4.026 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.314 -16.151 -5.193 1.00 0.00 C ATOM 1299 C ASP A 84 -5.540 -14.832 -5.129 1.00 0.00 C ATOM 1300 O ASP A 84 -5.625 -14.107 -4.139 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.136 -16.154 -6.483 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.490 -17.541 -7.021 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -8.129 -18.299 -6.196 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.172 -17.882 -8.170 1.00 0.00 O ATOM 0 H ASP A 84 -7.541 -15.373 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.636 -17.005 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.060 -15.602 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.582 -15.614 -7.250 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.803 -14.564 -6.197 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.015 -13.345 -6.274 1.00 0.00 C ATOM 1311 C VAL A 85 -4.533 -12.479 -7.425 1.00 0.00 C ATOM 1312 O VAL A 85 -4.864 -12.993 -8.492 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.529 -13.691 -6.408 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.188 -14.092 -7.844 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.652 -12.528 -5.939 1.00 0.00 C ATOM 0 H VAL A 85 -4.735 -15.169 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.119 -12.764 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.323 -14.546 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.127 -14.333 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.777 -14.964 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.416 -13.265 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.601 -12.799 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.862 -11.647 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.867 -12.309 -4.893 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.587 -11.181 -7.167 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.058 -10.239 -8.167 1.00 0.00 C ATOM 1327 C ALA A 86 -3.858 -9.606 -8.874 1.00 0.00 C ATOM 1328 O ALA A 86 -3.967 -9.163 -10.016 1.00 0.00 O ATOM 1329 CB ALA A 86 -5.959 -9.196 -7.503 1.00 0.00 C ATOM 0 H ALA A 86 -4.312 -10.760 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.653 -10.751 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.312 -8.489 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.813 -9.693 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.395 -8.661 -6.739 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.738 -9.586 -8.165 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.518 -9.015 -8.710 1.00 0.00 C ATOM 1337 C ALA A 87 -0.458 -8.946 -7.610 1.00 0.00 C ATOM 1338 O ALA A 87 -0.743 -9.233 -6.448 1.00 0.00 O ATOM 1339 CB ALA A 87 -1.822 -7.643 -9.314 1.00 0.00 C ATOM 0 H ALA A 87 -2.650 -9.956 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.124 -9.642 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.907 -7.215 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.559 -7.751 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.217 -6.984 -8.540 1.00 0.00 H new ATOM 1345 N PHE A 88 0.745 -8.565 -8.014 1.00 0.00 N ATOM 1346 CA PHE A 88 1.850 -8.455 -7.077 1.00 0.00 C ATOM 1347 C PHE A 88 2.889 -7.446 -7.570 1.00 0.00 C ATOM 1348 O PHE A 88 3.745 -7.780 -8.387 1.00 0.00 O ATOM 1349 CB PHE A 88 2.501 -9.837 -6.988 1.00 0.00 C ATOM 1350 CG PHE A 88 2.637 -10.370 -5.560 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.539 -10.820 -4.895 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.855 -10.394 -4.957 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.666 -11.314 -3.570 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.982 -10.888 -3.632 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.884 -11.338 -2.966 1.00 0.00 C ATOM 0 H PHE A 88 0.979 -8.328 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 88 1.483 -8.115 -6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.912 -10.543 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.490 -9.791 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.571 -10.802 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.726 -10.037 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.794 -11.671 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.950 -10.907 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.980 -11.714 -1.958 1.00 0.00 H new ATOM 1365 N ASN A 89 2.779 -6.231 -7.054 1.00 0.00 N ATOM 1366 CA ASN A 89 3.698 -5.171 -7.431 1.00 0.00 C ATOM 1367 C ASN A 89 3.799 -4.158 -6.288 1.00 0.00 C ATOM 1368 O ASN A 89 3.176 -4.332 -5.243 1.00 0.00 O ATOM 1369 CB ASN A 89 3.204 -4.432 -8.676 1.00 0.00 C ATOM 1370 CG ASN A 89 4.249 -4.479 -9.793 1.00 0.00 C ATOM 1371 OD1 ASN A 89 5.275 -5.133 -9.691 1.00 0.00 O ATOM 1372 ND2 ASN A 89 3.934 -3.752 -10.861 1.00 0.00 N ATOM 0 H ASN A 89 2.067 -5.957 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 89 4.667 -5.623 -7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.274 -4.881 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.983 -3.395 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.567 -3.718 -11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.059 -3.228 -10.881 1.00 0.00 H new ATOM 1379 N LYS A 90 4.588 -3.121 -6.529 1.00 0.00 N ATOM 1380 CA LYS A 90 4.779 -2.080 -5.533 1.00 0.00 C ATOM 1381 C LYS A 90 3.532 -1.195 -5.481 1.00 0.00 C ATOM 1382 O LYS A 90 2.634 -1.282 -6.317 1.00 0.00 O ATOM 1383 CB LYS A 90 6.071 -1.307 -5.806 1.00 0.00 C ATOM 1384 CG LYS A 90 7.226 -1.857 -4.966 1.00 0.00 C ATOM 1385 CD LYS A 90 8.575 -1.528 -5.606 1.00 0.00 C ATOM 1386 CE LYS A 90 8.971 -2.596 -6.628 1.00 0.00 C ATOM 1387 NZ LYS A 90 9.709 -1.986 -7.756 1.00 0.00 N ATOM 0 H LYS A 90 5.102 -2.979 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 90 4.901 -2.518 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.322 -1.374 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.922 -0.251 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.183 -1.435 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.123 -2.937 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.523 -0.554 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.341 -1.457 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.590 -3.355 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.079 -3.100 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.970 -2.725 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.106 -1.279 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.570 -1.525 -7.399 1.00 0.00 H new ATOM 1401 N ILE A 91 3.497 -0.326 -4.468 1.00 0.00 N ATOM 1402 CA ILE A 91 2.387 0.586 -4.277 1.00 0.00 C ATOM 1403 C ILE A 91 2.803 1.994 -4.675 1.00 0.00 C ATOM 1404 O ILE A 91 1.961 2.815 -5.030 1.00 0.00 O ATOM 1405 CB ILE A 91 1.941 0.544 -2.818 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.763 1.494 -2.619 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.098 0.974 -1.920 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.152 0.946 -1.527 1.00 0.00 C ATOM 1409 OXT ILE A 91 3.988 2.325 -4.645 1.00 0.00 O ATOM 0 H ILE A 91 4.234 -0.241 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 91 1.550 0.285 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 91 1.638 -0.471 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.123 2.485 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.209 1.604 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.780 0.944 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.940 0.297 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.401 1.989 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.994 1.623 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.522 -0.036 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.406 0.859 -0.595 1.00 0.00 H new TER 1421 ILE A 91