USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 41 ASN : amide:sc= -0.0687 K(o=-0.36,f=-1.6) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.291 X(o=-0.36,f=-0.36) USER MOD Set 2.1: A 35 MET CE :methyl -142:sc= -2.2 (180deg=-3.68!) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= -0.487 USER MOD Set 2.3: A 46 HIS : no HE2:sc= -7.53! C(o=-10!,f=-12!) USER MOD Set 3.1: A 26 THR OG1 : rot 77:sc= 0.16 USER MOD Set 3.2: A 58 HIS :FLIP no HD1:sc= -7.82! C(o=-11!,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0677) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00469 USER MOD Single : A 24 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -115:sc= 0.654 (180deg=-2.72!) USER MOD Single : A 44 SER OG : rot -89:sc= 0.292 USER MOD Single : A 49 SER OG : rot -54:sc= 0.19 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 86:sc= -2.51! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.0071) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.790 8.031 -3.534 1.00 0.00 N ATOM 2 CA GLY A 1 17.747 8.564 -4.392 1.00 0.00 C ATOM 3 C GLY A 1 16.415 7.871 -4.183 1.00 0.00 C ATOM 4 O GLY A 1 16.239 6.717 -4.573 1.00 0.00 O ATOM 0 H1 GLY A 1 19.680 8.537 -3.714 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.517 8.155 -2.538 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.921 7.019 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.632 9.631 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.049 8.458 -5.434 1.00 0.00 H new ATOM 8 N SER A 2 15.474 8.577 -3.563 1.00 0.00 N ATOM 9 CA SER A 2 14.152 8.021 -3.298 1.00 0.00 C ATOM 10 C SER A 2 13.091 8.713 -4.149 1.00 0.00 C ATOM 11 O SER A 2 12.620 9.799 -3.811 1.00 0.00 O ATOM 12 CB SER A 2 13.805 8.163 -1.815 1.00 0.00 C ATOM 13 OG SER A 2 12.440 7.861 -1.579 1.00 0.00 O ATOM 0 H SER A 2 15.603 9.534 -3.235 1.00 0.00 H new ATOM 0 HA SER A 2 14.170 6.963 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.435 7.497 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.018 9.179 -1.484 1.00 0.00 H new ATOM 0 HG SER A 2 12.244 7.958 -0.624 1.00 0.00 H new ATOM 19 N SER A 3 12.720 8.075 -5.254 1.00 0.00 N ATOM 20 CA SER A 3 11.718 8.629 -6.157 1.00 0.00 C ATOM 21 C SER A 3 10.809 7.530 -6.700 1.00 0.00 C ATOM 22 O SER A 3 11.139 6.347 -6.634 1.00 0.00 O ATOM 23 CB SER A 3 12.395 9.366 -7.314 1.00 0.00 C ATOM 24 OG SER A 3 11.446 10.076 -8.091 1.00 0.00 O ATOM 0 H SER A 3 13.098 7.174 -5.546 1.00 0.00 H new ATOM 0 HA SER A 3 11.108 9.335 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.140 10.058 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.924 8.652 -7.944 1.00 0.00 H new ATOM 0 HG SER A 3 11.904 10.540 -8.823 1.00 0.00 H new ATOM 30 N GLY A 4 9.662 7.932 -7.238 1.00 0.00 N ATOM 31 CA GLY A 4 8.722 6.971 -7.785 1.00 0.00 C ATOM 32 C GLY A 4 9.414 5.803 -8.460 1.00 0.00 C ATOM 33 O GLY A 4 10.481 5.963 -9.053 1.00 0.00 O ATOM 0 H GLY A 4 9.367 8.906 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.082 6.598 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.074 7.471 -8.505 1.00 0.00 H new ATOM 37 N SER A 5 8.807 4.624 -8.368 1.00 0.00 N ATOM 38 CA SER A 5 9.375 3.423 -8.970 1.00 0.00 C ATOM 39 C SER A 5 8.478 2.900 -10.087 1.00 0.00 C ATOM 40 O SER A 5 7.334 3.331 -10.234 1.00 0.00 O ATOM 41 CB SER A 5 9.572 2.340 -7.908 1.00 0.00 C ATOM 42 OG SER A 5 8.330 1.933 -7.358 1.00 0.00 O ATOM 0 H SER A 5 7.922 4.475 -7.883 1.00 0.00 H new ATOM 0 HA SER A 5 10.343 3.683 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.077 1.481 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.218 2.717 -7.115 1.00 0.00 H new ATOM 0 HG SER A 5 8.483 1.239 -6.683 1.00 0.00 H new ATOM 48 N SER A 6 9.005 1.966 -10.873 1.00 0.00 N ATOM 49 CA SER A 6 8.255 1.385 -11.980 1.00 0.00 C ATOM 50 C SER A 6 8.357 -0.137 -11.965 1.00 0.00 C ATOM 51 O SER A 6 9.442 -0.699 -12.102 1.00 0.00 O ATOM 52 CB SER A 6 8.770 1.929 -13.314 1.00 0.00 C ATOM 53 OG SER A 6 8.382 3.280 -13.498 1.00 0.00 O ATOM 0 H SER A 6 9.949 1.596 -10.763 1.00 0.00 H new ATOM 0 HA SER A 6 7.208 1.663 -11.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.857 1.852 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.383 1.321 -14.132 1.00 0.00 H new ATOM 0 HG SER A 6 8.725 3.605 -14.357 1.00 0.00 H new ATOM 59 N GLY A 7 7.215 -0.799 -11.798 1.00 0.00 N ATOM 60 CA GLY A 7 7.196 -2.249 -11.768 1.00 0.00 C ATOM 61 C GLY A 7 5.848 -2.820 -12.161 1.00 0.00 C ATOM 62 O GLY A 7 4.808 -2.354 -11.695 1.00 0.00 O ATOM 0 H GLY A 7 6.303 -0.356 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.961 -2.633 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.454 -2.592 -10.766 1.00 0.00 H new ATOM 66 N THR A 8 5.864 -3.831 -13.024 1.00 0.00 N ATOM 67 CA THR A 8 4.634 -4.464 -13.483 1.00 0.00 C ATOM 68 C THR A 8 4.409 -5.800 -12.783 1.00 0.00 C ATOM 69 O THR A 8 3.274 -6.170 -12.480 1.00 0.00 O ATOM 70 CB THR A 8 4.654 -4.692 -15.006 1.00 0.00 C ATOM 71 OG1 THR A 8 3.433 -5.311 -15.425 1.00 0.00 O ATOM 72 CG2 THR A 8 5.834 -5.564 -15.407 1.00 0.00 C ATOM 0 H THR A 8 6.716 -4.229 -13.419 1.00 0.00 H new ATOM 0 HA THR A 8 3.818 -3.785 -13.236 1.00 0.00 H new ATOM 0 HB THR A 8 4.756 -3.723 -15.495 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.453 -5.451 -16.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.827 -5.711 -16.487 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.763 -5.076 -15.113 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.758 -6.530 -14.909 1.00 0.00 H new ATOM 80 N LEU A 9 5.496 -6.519 -12.528 1.00 0.00 N ATOM 81 CA LEU A 9 5.417 -7.815 -11.863 1.00 0.00 C ATOM 82 C LEU A 9 5.671 -7.674 -10.365 1.00 0.00 C ATOM 83 O LEU A 9 6.817 -7.679 -9.917 1.00 0.00 O ATOM 84 CB LEU A 9 6.428 -8.787 -12.474 1.00 0.00 C ATOM 85 CG LEU A 9 6.278 -10.254 -12.070 1.00 0.00 C ATOM 86 CD1 LEU A 9 4.969 -10.821 -12.598 1.00 0.00 C ATOM 87 CD2 LEU A 9 7.458 -11.070 -12.577 1.00 0.00 C ATOM 0 H LEU A 9 6.442 -6.227 -12.771 1.00 0.00 H new ATOM 0 HA LEU A 9 4.411 -8.209 -12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.355 -8.721 -13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.430 -8.456 -12.201 1.00 0.00 H new ATOM 0 HG LEU A 9 6.263 -10.312 -10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.879 -11.866 -12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.134 -10.254 -12.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.954 -10.750 -13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.334 -12.112 -12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.505 -11.005 -13.664 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.381 -10.678 -12.150 1.00 0.00 H new ATOM 99 N ALA A 10 4.594 -7.552 -9.597 1.00 0.00 N ATOM 100 CA ALA A 10 4.699 -7.414 -8.149 1.00 0.00 C ATOM 101 C ALA A 10 5.326 -8.656 -7.524 1.00 0.00 C ATOM 102 O ALA A 10 6.376 -8.581 -6.886 1.00 0.00 O ATOM 103 CB ALA A 10 3.329 -7.149 -7.543 1.00 0.00 C ATOM 0 H ALA A 10 3.638 -7.546 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 10 5.348 -6.565 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.423 -7.048 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.919 -6.229 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.662 -7.980 -7.773 1.00 0.00 H new ATOM 109 N LYS A 11 4.674 -9.799 -7.711 1.00 0.00 N ATOM 110 CA LYS A 11 5.167 -11.059 -7.166 1.00 0.00 C ATOM 111 C LYS A 11 4.735 -12.234 -8.037 1.00 0.00 C ATOM 112 O LYS A 11 3.558 -12.371 -8.372 1.00 0.00 O ATOM 113 CB LYS A 11 4.656 -11.255 -5.737 1.00 0.00 C ATOM 114 CG LYS A 11 5.579 -10.678 -4.677 1.00 0.00 C ATOM 115 CD LYS A 11 6.642 -11.680 -4.259 1.00 0.00 C ATOM 116 CE LYS A 11 6.120 -12.635 -3.197 1.00 0.00 C ATOM 117 NZ LYS A 11 7.211 -13.126 -2.309 1.00 0.00 N ATOM 0 H LYS A 11 3.803 -9.879 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 11 6.256 -11.019 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.674 -10.790 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.523 -12.321 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.058 -9.777 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.994 -10.382 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.971 -12.247 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.513 -11.149 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.362 -12.132 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.634 -13.483 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.815 -13.774 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.922 -13.628 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.658 -12.319 -1.830 1.00 0.00 H new ATOM 131 N SER A 12 5.693 -13.081 -8.399 1.00 0.00 N ATOM 132 CA SER A 12 5.412 -14.243 -9.233 1.00 0.00 C ATOM 133 C SER A 12 4.859 -15.392 -8.395 1.00 0.00 C ATOM 134 O SER A 12 5.256 -16.545 -8.562 1.00 0.00 O ATOM 135 CB SER A 12 6.679 -14.693 -9.962 1.00 0.00 C ATOM 136 OG SER A 12 6.361 -15.408 -11.144 1.00 0.00 O ATOM 0 H SER A 12 6.671 -12.984 -8.127 1.00 0.00 H new ATOM 0 HA SER A 12 4.660 -13.958 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.287 -13.823 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.278 -15.322 -9.303 1.00 0.00 H new ATOM 0 HG SER A 12 7.188 -15.683 -11.592 1.00 0.00 H new ATOM 142 N LYS A 13 3.939 -15.068 -7.493 1.00 0.00 N ATOM 143 CA LYS A 13 3.328 -16.070 -6.628 1.00 0.00 C ATOM 144 C LYS A 13 1.815 -15.887 -6.566 1.00 0.00 C ATOM 145 O LYS A 13 1.299 -14.806 -6.848 1.00 0.00 O ATOM 146 CB LYS A 13 3.921 -15.987 -5.219 1.00 0.00 C ATOM 147 CG LYS A 13 3.911 -17.312 -4.476 1.00 0.00 C ATOM 148 CD LYS A 13 5.030 -18.225 -4.948 1.00 0.00 C ATOM 149 CE LYS A 13 4.689 -19.689 -4.717 1.00 0.00 C ATOM 150 NZ LYS A 13 3.684 -20.186 -5.696 1.00 0.00 N ATOM 0 H LYS A 13 3.600 -14.118 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 13 3.540 -17.053 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.947 -15.626 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.361 -15.252 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.015 -17.131 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.951 -17.806 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.216 -18.056 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.951 -17.977 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.596 -20.289 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.304 -19.817 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.628 -21.223 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.753 -19.777 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.967 -19.906 -6.657 1.00 0.00 H new ATOM 164 N GLY A 14 1.109 -16.950 -6.193 1.00 0.00 N ATOM 165 CA GLY A 14 -0.337 -16.885 -6.100 1.00 0.00 C ATOM 166 C GLY A 14 -0.832 -17.001 -4.672 1.00 0.00 C ATOM 167 O GLY A 14 -0.120 -16.651 -3.731 1.00 0.00 O ATOM 0 H GLY A 14 1.513 -17.855 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.683 -15.943 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.773 -17.685 -6.698 1.00 0.00 H new ATOM 171 N ALA A 15 -2.056 -17.492 -4.510 1.00 0.00 N ATOM 172 CA ALA A 15 -2.646 -17.653 -3.186 1.00 0.00 C ATOM 173 C ALA A 15 -3.081 -19.095 -2.951 1.00 0.00 C ATOM 174 O ALA A 15 -4.245 -19.443 -3.153 1.00 0.00 O ATOM 175 CB ALA A 15 -3.826 -16.708 -3.016 1.00 0.00 C ATOM 0 H ALA A 15 -2.659 -17.785 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.887 -17.405 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.257 -16.839 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.487 -15.678 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.581 -16.929 -3.771 1.00 0.00 H new ATOM 181 N SER A 16 -2.140 -19.931 -2.524 1.00 0.00 N ATOM 182 CA SER A 16 -2.426 -21.337 -2.266 1.00 0.00 C ATOM 183 C SER A 16 -3.469 -21.486 -1.162 1.00 0.00 C ATOM 184 O SER A 16 -4.521 -22.092 -1.364 1.00 0.00 O ATOM 185 CB SER A 16 -1.145 -22.077 -1.876 1.00 0.00 C ATOM 186 OG SER A 16 -0.188 -22.025 -2.919 1.00 0.00 O ATOM 0 H SER A 16 -1.173 -19.659 -2.349 1.00 0.00 H new ATOM 0 HA SER A 16 -2.826 -21.774 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.727 -21.634 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.378 -23.116 -1.644 1.00 0.00 H new ATOM 0 HG SER A 16 0.622 -22.504 -2.644 1.00 0.00 H new ATOM 192 N ALA A 17 -3.169 -20.927 0.006 1.00 0.00 N ATOM 193 CA ALA A 17 -4.080 -20.995 1.142 1.00 0.00 C ATOM 194 C ALA A 17 -4.277 -19.620 1.770 1.00 0.00 C ATOM 195 O ALA A 17 -3.316 -18.967 2.174 1.00 0.00 O ATOM 196 CB ALA A 17 -3.560 -21.981 2.177 1.00 0.00 C ATOM 0 H ALA A 17 -2.302 -20.422 0.190 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.048 -21.342 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.250 -22.022 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.477 -22.971 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.579 -21.658 2.526 1.00 0.00 H new ATOM 202 N GLY A 18 -5.531 -19.185 1.848 1.00 0.00 N ATOM 203 CA GLY A 18 -5.831 -17.888 2.428 1.00 0.00 C ATOM 204 C GLY A 18 -5.929 -16.795 1.383 1.00 0.00 C ATOM 205 O GLY A 18 -5.142 -16.758 0.437 1.00 0.00 O ATOM 0 H GLY A 18 -6.344 -19.707 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.771 -17.947 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.057 -17.628 3.150 1.00 0.00 H new ATOM 209 N ARG A 19 -6.900 -15.902 1.552 1.00 0.00 N ATOM 210 CA ARG A 19 -7.099 -14.804 0.614 1.00 0.00 C ATOM 211 C ARG A 19 -6.288 -13.580 1.029 1.00 0.00 C ATOM 212 O ARG A 19 -6.652 -12.872 1.967 1.00 0.00 O ATOM 213 CB ARG A 19 -8.583 -14.441 0.530 1.00 0.00 C ATOM 214 CG ARG A 19 -9.394 -15.391 -0.337 1.00 0.00 C ATOM 215 CD ARG A 19 -9.665 -16.704 0.378 1.00 0.00 C ATOM 216 NE ARG A 19 -9.982 -17.782 -0.556 1.00 0.00 N ATOM 217 CZ ARG A 19 -9.838 -19.070 -0.267 1.00 0.00 C ATOM 218 NH1 ARG A 19 -9.386 -19.440 0.923 1.00 0.00 N ATOM 219 NH2 ARG A 19 -10.147 -19.992 -1.170 1.00 0.00 N ATOM 0 H ARG A 19 -7.560 -15.918 2.329 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.755 -15.130 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.004 -14.432 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.679 -13.430 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.340 -14.921 -0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.858 -15.585 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.792 -16.982 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.493 -16.573 1.075 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.333 -17.532 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.148 -18.734 1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.277 -20.430 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.495 -19.711 -2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.036 -20.981 -0.947 1.00 0.00 H new ATOM 233 N GLU A 20 -5.188 -13.339 0.324 1.00 0.00 N ATOM 234 CA GLU A 20 -4.325 -12.201 0.620 1.00 0.00 C ATOM 235 C GLU A 20 -4.328 -11.201 -0.532 1.00 0.00 C ATOM 236 O GLU A 20 -4.750 -11.520 -1.643 1.00 0.00 O ATOM 237 CB GLU A 20 -2.896 -12.674 0.896 1.00 0.00 C ATOM 238 CG GLU A 20 -2.774 -13.558 2.126 1.00 0.00 C ATOM 239 CD GLU A 20 -2.698 -12.760 3.413 1.00 0.00 C ATOM 240 OE1 GLU A 20 -3.371 -11.711 3.500 1.00 0.00 O ATOM 241 OE2 GLU A 20 -1.967 -13.183 4.332 1.00 0.00 O ATOM 0 H GLU A 20 -4.873 -13.916 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.714 -11.705 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.530 -13.222 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.252 -11.804 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.630 -14.232 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.883 -14.180 2.035 1.00 0.00 H new ATOM 248 N TRP A 21 -3.855 -9.991 -0.258 1.00 0.00 N ATOM 249 CA TRP A 21 -3.803 -8.943 -1.271 1.00 0.00 C ATOM 250 C TRP A 21 -3.425 -9.519 -2.631 1.00 0.00 C ATOM 251 O TRP A 21 -2.441 -10.249 -2.756 1.00 0.00 O ATOM 252 CB TRP A 21 -2.801 -7.861 -0.865 1.00 0.00 C ATOM 253 CG TRP A 21 -3.323 -6.935 0.192 1.00 0.00 C ATOM 254 CD1 TRP A 21 -3.490 -7.217 1.518 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.747 -5.580 0.011 1.00 0.00 C ATOM 256 NE1 TRP A 21 -3.992 -6.118 2.172 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.158 -5.100 1.270 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.818 -4.724 -1.091 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.633 -3.804 1.454 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.290 -3.438 -0.907 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.692 -2.988 0.357 1.00 0.00 C ATOM 0 H TRP A 21 -3.502 -9.711 0.657 1.00 0.00 H new ATOM 0 HA TRP A 21 -4.795 -8.498 -1.349 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.890 -8.337 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.529 -7.279 -1.746 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.261 -8.164 1.984 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.206 -6.068 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.509 -5.061 -2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.944 -3.455 2.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.350 -2.769 -1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.056 -1.977 0.468 1.00 0.00 H new ATOM 272 N THR A 22 -4.211 -9.186 -3.650 1.00 0.00 N ATOM 273 CA THR A 22 -3.959 -9.672 -5.001 1.00 0.00 C ATOM 274 C THR A 22 -3.198 -8.638 -5.823 1.00 0.00 C ATOM 275 O THR A 22 -3.235 -7.445 -5.524 1.00 0.00 O ATOM 276 CB THR A 22 -5.272 -10.023 -5.726 1.00 0.00 C ATOM 277 OG1 THR A 22 -6.201 -8.940 -5.608 1.00 0.00 O ATOM 278 CG2 THR A 22 -5.886 -11.290 -5.151 1.00 0.00 C ATOM 0 H THR A 22 -5.028 -8.581 -3.565 1.00 0.00 H new ATOM 0 HA THR A 22 -3.354 -10.574 -4.905 1.00 0.00 H new ATOM 0 HB THR A 22 -5.046 -10.194 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.032 -9.170 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.812 -11.518 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.188 -12.119 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.099 -11.143 -4.092 1.00 0.00 H new ATOM 286 N GLU A 23 -2.509 -9.104 -6.860 1.00 0.00 N ATOM 287 CA GLU A 23 -1.740 -8.218 -7.726 1.00 0.00 C ATOM 288 C GLU A 23 -2.487 -6.910 -7.968 1.00 0.00 C ATOM 289 O GLU A 23 -1.919 -5.826 -7.839 1.00 0.00 O ATOM 290 CB GLU A 23 -1.443 -8.904 -9.061 1.00 0.00 C ATOM 291 CG GLU A 23 -0.239 -8.327 -9.787 1.00 0.00 C ATOM 292 CD GLU A 23 1.077 -8.754 -9.165 1.00 0.00 C ATOM 293 OE1 GLU A 23 1.080 -9.104 -7.967 1.00 0.00 O ATOM 294 OE2 GLU A 23 2.103 -8.737 -9.877 1.00 0.00 O ATOM 0 H GLU A 23 -2.468 -10.089 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.799 -7.991 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.276 -9.967 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.319 -8.822 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.263 -8.642 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.303 -7.239 -9.781 1.00 0.00 H new ATOM 301 N GLN A 24 -3.764 -7.021 -8.322 1.00 0.00 N ATOM 302 CA GLN A 24 -4.589 -5.848 -8.584 1.00 0.00 C ATOM 303 C GLN A 24 -4.640 -4.935 -7.363 1.00 0.00 C ATOM 304 O GLN A 24 -4.236 -3.775 -7.428 1.00 0.00 O ATOM 305 CB GLN A 24 -6.004 -6.272 -8.979 1.00 0.00 C ATOM 306 CG GLN A 24 -6.944 -5.102 -9.221 1.00 0.00 C ATOM 307 CD GLN A 24 -6.917 -4.618 -10.657 1.00 0.00 C ATOM 308 OE1 GLN A 24 -6.089 -5.057 -11.456 1.00 0.00 O ATOM 309 NE2 GLN A 24 -7.824 -3.710 -10.994 1.00 0.00 N ATOM 0 H GLN A 24 -4.249 -7.911 -8.434 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.140 -5.295 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.953 -6.880 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.418 -6.903 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.960 -5.398 -8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.672 -4.280 -8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.491 -3.374 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.854 -3.348 -11.947 1.00 0.00 H new ATOM 318 N GLU A 25 -5.140 -5.468 -6.252 1.00 0.00 N ATOM 319 CA GLU A 25 -5.245 -4.699 -5.018 1.00 0.00 C ATOM 320 C GLU A 25 -3.917 -4.027 -4.680 1.00 0.00 C ATOM 321 O GLU A 25 -3.865 -2.826 -4.416 1.00 0.00 O ATOM 322 CB GLU A 25 -5.679 -5.604 -3.863 1.00 0.00 C ATOM 323 CG GLU A 25 -7.034 -6.257 -4.077 1.00 0.00 C ATOM 324 CD GLU A 25 -8.187 -5.312 -3.802 1.00 0.00 C ATOM 325 OE1 GLU A 25 -8.063 -4.113 -4.130 1.00 0.00 O ATOM 326 OE2 GLU A 25 -9.214 -5.771 -3.260 1.00 0.00 O ATOM 0 H GLU A 25 -5.478 -6.428 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.997 -3.924 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.929 -6.382 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.709 -5.018 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.101 -6.617 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.120 -7.128 -3.427 1.00 0.00 H new ATOM 333 N THR A 26 -2.844 -4.812 -4.691 1.00 0.00 N ATOM 334 CA THR A 26 -1.516 -4.295 -4.385 1.00 0.00 C ATOM 335 C THR A 26 -1.241 -3.002 -5.145 1.00 0.00 C ATOM 336 O THR A 26 -0.937 -1.970 -4.546 1.00 0.00 O ATOM 337 CB THR A 26 -0.420 -5.322 -4.728 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.667 -6.551 -4.035 1.00 0.00 O ATOM 339 CG2 THR A 26 0.955 -4.791 -4.355 1.00 0.00 C ATOM 0 H THR A 26 -2.869 -5.808 -4.909 1.00 0.00 H new ATOM 0 HA THR A 26 -1.494 -4.096 -3.314 1.00 0.00 H new ATOM 0 HB THR A 26 -0.443 -5.500 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.384 -7.043 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.712 -5.534 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.152 -3.871 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.988 -4.587 -3.285 1.00 0.00 H new ATOM 347 N LEU A 27 -1.348 -3.065 -6.468 1.00 0.00 N ATOM 348 CA LEU A 27 -1.112 -1.898 -7.311 1.00 0.00 C ATOM 349 C LEU A 27 -1.987 -0.726 -6.877 1.00 0.00 C ATOM 350 O LEU A 27 -1.513 0.404 -6.753 1.00 0.00 O ATOM 351 CB LEU A 27 -1.386 -2.239 -8.776 1.00 0.00 C ATOM 352 CG LEU A 27 -0.503 -3.328 -9.389 1.00 0.00 C ATOM 353 CD1 LEU A 27 -1.042 -3.750 -10.747 1.00 0.00 C ATOM 354 CD2 LEU A 27 0.934 -2.843 -9.510 1.00 0.00 C ATOM 0 H LEU A 27 -1.597 -3.912 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.067 -1.607 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.427 -2.549 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.271 -1.331 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.518 -4.196 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.401 -4.525 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.054 -4.138 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.057 -2.889 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.548 -3.630 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.967 -1.960 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.318 -2.591 -8.521 1.00 0.00 H new ATOM 366 N LEU A 28 -3.265 -1.004 -6.646 1.00 0.00 N ATOM 367 CA LEU A 28 -4.207 0.027 -6.224 1.00 0.00 C ATOM 368 C LEU A 28 -3.707 0.742 -4.973 1.00 0.00 C ATOM 369 O LEU A 28 -3.682 1.973 -4.916 1.00 0.00 O ATOM 370 CB LEU A 28 -5.582 -0.589 -5.957 1.00 0.00 C ATOM 371 CG LEU A 28 -6.339 -1.097 -7.185 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.269 -2.238 -6.803 1.00 0.00 C ATOM 373 CD2 LEU A 28 -7.120 0.035 -7.836 1.00 0.00 C ATOM 0 H LEU A 28 -3.673 -1.934 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.292 0.757 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.457 -1.420 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.201 0.156 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.613 -1.472 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.800 -2.587 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.686 -3.057 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.989 -1.888 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.652 -0.345 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.836 0.441 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.431 0.821 -8.145 1.00 0.00 H new ATOM 385 N LEU A 29 -3.307 -0.035 -3.973 1.00 0.00 N ATOM 386 CA LEU A 29 -2.805 0.524 -2.723 1.00 0.00 C ATOM 387 C LEU A 29 -1.837 1.672 -2.990 1.00 0.00 C ATOM 388 O LEU A 29 -1.983 2.763 -2.438 1.00 0.00 O ATOM 389 CB LEU A 29 -2.111 -0.562 -1.898 1.00 0.00 C ATOM 390 CG LEU A 29 -1.358 -0.084 -0.656 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.318 0.122 0.505 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.267 -1.075 -0.280 1.00 0.00 C ATOM 0 H LEU A 29 -3.321 -1.054 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.654 0.912 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.862 -1.288 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.408 -1.088 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.889 0.873 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.764 0.462 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.062 0.871 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.818 -0.819 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.259 -0.719 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.714 -2.047 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.438 -1.171 -1.106 1.00 0.00 H new ATOM 404 N LEU A 30 -0.848 1.419 -3.841 1.00 0.00 N ATOM 405 CA LEU A 30 0.144 2.432 -4.184 1.00 0.00 C ATOM 406 C LEU A 30 -0.526 3.678 -4.754 1.00 0.00 C ATOM 407 O LEU A 30 -0.479 4.750 -4.152 1.00 0.00 O ATOM 408 CB LEU A 30 1.147 1.871 -5.193 1.00 0.00 C ATOM 409 CG LEU A 30 2.180 0.890 -4.638 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.860 0.134 -5.769 1.00 0.00 C ATOM 411 CD2 LEU A 30 3.209 1.622 -3.789 1.00 0.00 C ATOM 0 H LEU A 30 -0.712 0.521 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 30 0.673 2.711 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.592 1.372 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.678 2.706 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 30 1.664 0.168 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.592 -0.559 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.113 -0.422 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.363 0.841 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.936 0.908 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.721 2.367 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.708 2.117 -2.957 1.00 0.00 H new ATOM 423 N GLU A 31 -1.150 3.529 -5.919 1.00 0.00 N ATOM 424 CA GLU A 31 -1.830 4.642 -6.569 1.00 0.00 C ATOM 425 C GLU A 31 -2.524 5.531 -5.541 1.00 0.00 C ATOM 426 O GLU A 31 -2.325 6.745 -5.519 1.00 0.00 O ATOM 427 CB GLU A 31 -2.852 4.123 -7.583 1.00 0.00 C ATOM 428 CG GLU A 31 -3.702 5.218 -8.205 1.00 0.00 C ATOM 429 CD GLU A 31 -2.901 6.135 -9.110 1.00 0.00 C ATOM 430 OE1 GLU A 31 -1.899 6.710 -8.636 1.00 0.00 O ATOM 431 OE2 GLU A 31 -3.278 6.277 -10.292 1.00 0.00 O ATOM 0 H GLU A 31 -1.198 2.648 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.080 5.237 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.327 3.589 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.506 3.402 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.511 4.764 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.164 5.808 -7.413 1.00 0.00 H new ATOM 438 N ALA A 32 -3.339 4.916 -4.690 1.00 0.00 N ATOM 439 CA ALA A 32 -4.062 5.650 -3.658 1.00 0.00 C ATOM 440 C ALA A 32 -3.100 6.266 -2.647 1.00 0.00 C ATOM 441 O ALA A 32 -3.260 7.419 -2.245 1.00 0.00 O ATOM 442 CB ALA A 32 -5.054 4.735 -2.957 1.00 0.00 C ATOM 0 H ALA A 32 -3.515 3.911 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.610 6.460 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.587 5.296 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.768 4.347 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.520 3.905 -2.495 1.00 0.00 H new ATOM 448 N LEU A 33 -2.102 5.490 -2.239 1.00 0.00 N ATOM 449 CA LEU A 33 -1.115 5.959 -1.273 1.00 0.00 C ATOM 450 C LEU A 33 -0.463 7.254 -1.746 1.00 0.00 C ATOM 451 O LEU A 33 0.193 7.949 -0.970 1.00 0.00 O ATOM 452 CB LEU A 33 -0.045 4.889 -1.048 1.00 0.00 C ATOM 453 CG LEU A 33 -0.341 3.862 0.046 1.00 0.00 C ATOM 454 CD1 LEU A 33 0.657 2.717 -0.012 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.320 4.522 1.417 1.00 0.00 C ATOM 0 H LEU A 33 -1.955 4.534 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.628 6.155 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.110 4.356 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.893 5.388 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.338 3.456 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.430 1.997 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.592 2.227 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.665 3.105 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.533 3.776 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.663 4.957 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.076 5.307 1.455 1.00 0.00 H new ATOM 467 N GLU A 34 -0.651 7.574 -3.023 1.00 0.00 N ATOM 468 CA GLU A 34 -0.082 8.787 -3.597 1.00 0.00 C ATOM 469 C GLU A 34 -1.073 9.945 -3.514 1.00 0.00 C ATOM 470 O GLU A 34 -0.692 11.083 -3.245 1.00 0.00 O ATOM 471 CB GLU A 34 0.319 8.548 -5.055 1.00 0.00 C ATOM 472 CG GLU A 34 1.720 7.982 -5.215 1.00 0.00 C ATOM 473 CD GLU A 34 2.799 9.019 -4.972 1.00 0.00 C ATOM 474 OE1 GLU A 34 2.930 9.945 -5.800 1.00 0.00 O ATOM 475 OE2 GLU A 34 3.513 8.903 -3.954 1.00 0.00 O ATOM 0 H GLU A 34 -1.192 7.010 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 34 0.806 9.049 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.395 7.863 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.252 9.489 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.855 7.153 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.831 7.576 -6.220 1.00 0.00 H new ATOM 482 N MET A 35 -2.346 9.644 -3.749 1.00 0.00 N ATOM 483 CA MET A 35 -3.392 10.659 -3.700 1.00 0.00 C ATOM 484 C MET A 35 -3.986 10.761 -2.299 1.00 0.00 C ATOM 485 O MET A 35 -3.983 11.830 -1.689 1.00 0.00 O ATOM 486 CB MET A 35 -4.494 10.336 -4.711 1.00 0.00 C ATOM 487 CG MET A 35 -4.071 10.541 -6.157 1.00 0.00 C ATOM 488 SD MET A 35 -5.471 10.830 -7.255 1.00 0.00 S ATOM 489 CE MET A 35 -6.492 9.405 -6.886 1.00 0.00 C ATOM 0 H MET A 35 -2.678 8.706 -3.975 1.00 0.00 H new ATOM 0 HA MET A 35 -2.944 11.619 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.808 9.301 -4.576 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.362 10.962 -4.503 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.388 11.388 -6.215 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.521 9.664 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.960 9.045 -7.803 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.874 8.615 -6.460 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.265 9.686 -6.171 1.00 0.00 H new ATOM 499 N TYR A 36 -4.495 9.642 -1.794 1.00 0.00 N ATOM 500 CA TYR A 36 -5.095 9.607 -0.465 1.00 0.00 C ATOM 501 C TYR A 36 -4.089 9.121 0.574 1.00 0.00 C ATOM 502 O TYR A 36 -4.457 8.489 1.564 1.00 0.00 O ATOM 503 CB TYR A 36 -6.326 8.699 -0.463 1.00 0.00 C ATOM 504 CG TYR A 36 -7.083 8.702 -1.771 1.00 0.00 C ATOM 505 CD1 TYR A 36 -6.675 7.908 -2.836 1.00 0.00 C ATOM 506 CD2 TYR A 36 -8.209 9.499 -1.943 1.00 0.00 C ATOM 507 CE1 TYR A 36 -7.363 7.909 -4.033 1.00 0.00 C ATOM 508 CE2 TYR A 36 -8.905 9.505 -3.137 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.478 8.708 -4.179 1.00 0.00 C ATOM 510 OH TYR A 36 -9.167 8.711 -5.369 1.00 0.00 O ATOM 0 H TYR A 36 -4.504 8.748 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.399 10.621 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.015 7.679 -0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.997 9.013 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.804 7.279 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.546 10.124 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.030 7.287 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.778 10.130 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.927 9.327 -5.306 1.00 0.00 H new ATOM 520 N LYS A 37 -2.816 9.423 0.341 1.00 0.00 N ATOM 521 CA LYS A 37 -1.754 9.020 1.256 1.00 0.00 C ATOM 522 C LYS A 37 -2.241 9.050 2.701 1.00 0.00 C ATOM 523 O LYS A 37 -2.496 8.005 3.301 1.00 0.00 O ATOM 524 CB LYS A 37 -0.541 9.939 1.097 1.00 0.00 C ATOM 525 CG LYS A 37 0.589 9.626 2.063 1.00 0.00 C ATOM 526 CD LYS A 37 1.763 10.573 1.873 1.00 0.00 C ATOM 527 CE LYS A 37 2.686 10.565 3.082 1.00 0.00 C ATOM 528 NZ LYS A 37 3.659 11.691 3.044 1.00 0.00 N ATOM 0 H LYS A 37 -2.495 9.946 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.464 7.999 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.167 9.861 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.857 10.972 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.224 9.699 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.921 8.599 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.324 10.285 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.393 11.584 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.091 10.629 3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.226 9.619 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.270 11.651 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.244 11.616 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.144 12.595 3.033 1.00 0.00 H new ATOM 542 N ASP A 38 -2.370 10.251 3.253 1.00 0.00 N ATOM 543 CA ASP A 38 -2.829 10.416 4.627 1.00 0.00 C ATOM 544 C ASP A 38 -4.343 10.255 4.717 1.00 0.00 C ATOM 545 O ASP A 38 -4.878 9.892 5.765 1.00 0.00 O ATOM 546 CB ASP A 38 -2.416 11.787 5.164 1.00 0.00 C ATOM 547 CG ASP A 38 -2.197 11.779 6.665 1.00 0.00 C ATOM 548 OD1 ASP A 38 -2.859 10.978 7.356 1.00 0.00 O ATOM 549 OD2 ASP A 38 -1.365 12.576 7.147 1.00 0.00 O ATOM 0 H ASP A 38 -2.163 11.125 2.770 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.363 9.641 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.500 12.107 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.185 12.518 4.916 1.00 0.00 H new ATOM 554 N ASP A 39 -5.029 10.530 3.613 1.00 0.00 N ATOM 555 CA ASP A 39 -6.482 10.416 3.566 1.00 0.00 C ATOM 556 C ASP A 39 -6.909 8.955 3.460 1.00 0.00 C ATOM 557 O ASP A 39 -7.741 8.601 2.624 1.00 0.00 O ATOM 558 CB ASP A 39 -7.040 11.211 2.385 1.00 0.00 C ATOM 559 CG ASP A 39 -6.385 12.570 2.241 1.00 0.00 C ATOM 560 OD1 ASP A 39 -5.348 12.659 1.550 1.00 0.00 O ATOM 561 OD2 ASP A 39 -6.908 13.546 2.820 1.00 0.00 O ATOM 0 H ASP A 39 -4.602 10.834 2.738 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.884 10.827 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.895 10.642 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.115 11.341 2.513 1.00 0.00 H new ATOM 566 N TRP A 40 -6.335 8.113 4.310 1.00 0.00 N ATOM 567 CA TRP A 40 -6.656 6.690 4.311 1.00 0.00 C ATOM 568 C TRP A 40 -8.156 6.470 4.149 1.00 0.00 C ATOM 569 O TRP A 40 -8.587 5.625 3.366 1.00 0.00 O ATOM 570 CB TRP A 40 -6.169 6.037 5.606 1.00 0.00 C ATOM 571 CG TRP A 40 -4.692 6.170 5.820 1.00 0.00 C ATOM 572 CD1 TRP A 40 -4.049 7.166 6.499 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.674 5.280 5.350 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.692 6.947 6.480 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.437 5.796 5.782 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.687 4.095 4.609 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.227 5.169 5.495 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.486 3.474 4.324 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.270 4.011 4.767 1.00 0.00 C ATOM 0 H TRP A 40 -5.645 8.390 5.008 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.147 6.228 3.465 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.693 6.486 6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.433 4.980 5.593 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.535 8.002 6.980 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.989 7.544 6.915 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.619 3.672 4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.289 5.582 5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.485 2.559 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.348 3.501 4.529 1.00 0.00 H new ATOM 590 N ASN A 41 -8.946 7.237 4.893 1.00 0.00 N ATOM 591 CA ASN A 41 -10.399 7.125 4.831 1.00 0.00 C ATOM 592 C ASN A 41 -10.864 6.865 3.402 1.00 0.00 C ATOM 593 O ASN A 41 -11.715 6.010 3.159 1.00 0.00 O ATOM 594 CB ASN A 41 -11.053 8.400 5.369 1.00 0.00 C ATOM 595 CG ASN A 41 -12.401 8.132 6.009 1.00 0.00 C ATOM 596 OD1 ASN A 41 -12.575 7.148 6.728 1.00 0.00 O ATOM 597 ND2 ASN A 41 -13.363 9.009 5.750 1.00 0.00 N ATOM 0 H ASN A 41 -8.605 7.943 5.546 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.700 6.281 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.392 8.863 6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.176 9.114 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.291 8.881 6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.174 9.811 5.148 1.00 0.00 H new ATOM 604 N LYS A 42 -10.298 7.610 2.457 1.00 0.00 N ATOM 605 CA LYS A 42 -10.652 7.460 1.051 1.00 0.00 C ATOM 606 C LYS A 42 -9.958 6.246 0.441 1.00 0.00 C ATOM 607 O LYS A 42 -10.548 5.516 -0.356 1.00 0.00 O ATOM 608 CB LYS A 42 -10.274 8.722 0.272 1.00 0.00 C ATOM 609 CG LYS A 42 -11.361 9.783 0.268 1.00 0.00 C ATOM 610 CD LYS A 42 -12.546 9.365 -0.586 1.00 0.00 C ATOM 611 CE LYS A 42 -12.217 9.436 -2.069 1.00 0.00 C ATOM 612 NZ LYS A 42 -11.660 8.151 -2.576 1.00 0.00 N ATOM 0 H LYS A 42 -9.592 8.323 2.640 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.730 7.310 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.366 9.146 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.042 8.448 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.695 9.967 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.953 10.721 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.842 8.349 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.397 10.010 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.118 9.687 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.499 10.237 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.675 8.294 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.690 7.437 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.225 7.823 -3.385 1.00 0.00 H new ATOM 626 N VAL A 43 -8.702 6.036 0.821 1.00 0.00 N ATOM 627 CA VAL A 43 -7.928 4.909 0.314 1.00 0.00 C ATOM 628 C VAL A 43 -8.789 3.656 0.204 1.00 0.00 C ATOM 629 O VAL A 43 -8.871 3.037 -0.857 1.00 0.00 O ATOM 630 CB VAL A 43 -6.716 4.609 1.215 1.00 0.00 C ATOM 631 CG1 VAL A 43 -6.061 3.297 0.811 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.715 5.753 1.161 1.00 0.00 C ATOM 0 H VAL A 43 -8.199 6.632 1.478 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.573 5.190 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.066 4.511 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.207 3.102 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.782 2.485 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.724 3.362 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.865 5.523 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.369 5.886 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.192 6.671 1.505 1.00 0.00 H new ATOM 642 N SER A 44 -9.430 3.287 1.309 1.00 0.00 N ATOM 643 CA SER A 44 -10.284 2.105 1.338 1.00 0.00 C ATOM 644 C SER A 44 -11.090 1.984 0.048 1.00 0.00 C ATOM 645 O SER A 44 -11.275 0.888 -0.479 1.00 0.00 O ATOM 646 CB SER A 44 -11.229 2.162 2.540 1.00 0.00 C ATOM 647 OG SER A 44 -12.255 3.117 2.336 1.00 0.00 O ATOM 0 H SER A 44 -9.374 3.789 2.195 1.00 0.00 H new ATOM 0 HA SER A 44 -9.644 1.227 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.670 1.179 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.666 2.415 3.438 1.00 0.00 H new ATOM 0 HG SER A 44 -11.956 3.993 2.658 1.00 0.00 H new ATOM 653 N GLU A 45 -11.566 3.120 -0.453 1.00 0.00 N ATOM 654 CA GLU A 45 -12.353 3.141 -1.680 1.00 0.00 C ATOM 655 C GLU A 45 -11.478 2.838 -2.893 1.00 0.00 C ATOM 656 O GLU A 45 -11.658 1.820 -3.563 1.00 0.00 O ATOM 657 CB GLU A 45 -13.031 4.502 -1.854 1.00 0.00 C ATOM 658 CG GLU A 45 -14.185 4.735 -0.893 1.00 0.00 C ATOM 659 CD GLU A 45 -15.200 3.609 -0.918 1.00 0.00 C ATOM 660 OE1 GLU A 45 -16.113 3.654 -1.770 1.00 0.00 O ATOM 661 OE2 GLU A 45 -15.083 2.685 -0.087 1.00 0.00 O ATOM 0 H GLU A 45 -11.420 4.036 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.118 2.369 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.289 5.288 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.398 4.587 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.794 4.845 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.681 5.672 -1.147 1.00 0.00 H new ATOM 668 N HIS A 46 -10.530 3.728 -3.169 1.00 0.00 N ATOM 669 CA HIS A 46 -9.627 3.556 -4.301 1.00 0.00 C ATOM 670 C HIS A 46 -9.247 2.088 -4.475 1.00 0.00 C ATOM 671 O HIS A 46 -9.277 1.556 -5.584 1.00 0.00 O ATOM 672 CB HIS A 46 -8.367 4.401 -4.108 1.00 0.00 C ATOM 673 CG HIS A 46 -7.470 4.421 -5.307 1.00 0.00 C ATOM 674 ND1 HIS A 46 -7.445 5.461 -6.212 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.561 3.520 -5.747 1.00 0.00 C ATOM 676 CE1 HIS A 46 -6.560 5.198 -7.157 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.009 4.026 -6.898 1.00 0.00 N ATOM 0 H HIS A 46 -10.367 4.575 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.145 3.888 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.658 5.423 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.809 4.017 -3.254 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.020 6.302 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.315 2.578 -5.280 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.327 5.834 -7.998 1.00 0.00 H new ATOM 686 N VAL A 47 -8.888 1.440 -3.371 1.00 0.00 N ATOM 687 CA VAL A 47 -8.502 0.034 -3.401 1.00 0.00 C ATOM 688 C VAL A 47 -9.645 -0.838 -3.908 1.00 0.00 C ATOM 689 O VAL A 47 -9.546 -1.455 -4.968 1.00 0.00 O ATOM 690 CB VAL A 47 -8.073 -0.460 -2.007 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.737 -1.943 -2.046 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.891 0.350 -1.496 1.00 0.00 C ATOM 0 H VAL A 47 -8.856 1.866 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.656 -0.048 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.906 -0.319 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.436 -2.274 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.613 -2.506 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.920 -2.113 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.601 -0.012 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.052 0.243 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.172 1.401 -1.428 1.00 0.00 H new ATOM 702 N GLY A 48 -10.731 -0.885 -3.142 1.00 0.00 N ATOM 703 CA GLY A 48 -11.878 -1.685 -3.531 1.00 0.00 C ATOM 704 C GLY A 48 -12.687 -2.156 -2.338 1.00 0.00 C ATOM 705 O GLY A 48 -13.663 -1.515 -1.949 1.00 0.00 O ATOM 0 H GLY A 48 -10.837 -0.384 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.518 -1.100 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.538 -2.550 -4.100 1.00 0.00 H new ATOM 709 N SER A 49 -12.281 -3.280 -1.757 1.00 0.00 N ATOM 710 CA SER A 49 -12.978 -3.840 -0.605 1.00 0.00 C ATOM 711 C SER A 49 -12.043 -3.950 0.596 1.00 0.00 C ATOM 712 O SER A 49 -12.057 -4.946 1.319 1.00 0.00 O ATOM 713 CB SER A 49 -13.550 -5.217 -0.947 1.00 0.00 C ATOM 714 OG SER A 49 -14.486 -5.638 0.030 1.00 0.00 O ATOM 0 H SER A 49 -11.473 -3.821 -2.065 1.00 0.00 H new ATOM 0 HA SER A 49 -13.797 -3.168 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.031 -5.182 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.740 -5.943 -1.016 1.00 0.00 H new ATOM 0 HG SER A 49 -14.075 -5.593 0.918 1.00 0.00 H new ATOM 720 N ARG A 50 -11.230 -2.918 0.801 1.00 0.00 N ATOM 721 CA ARG A 50 -10.286 -2.898 1.912 1.00 0.00 C ATOM 722 C ARG A 50 -10.637 -1.792 2.903 1.00 0.00 C ATOM 723 O ARG A 50 -11.585 -1.034 2.694 1.00 0.00 O ATOM 724 CB ARG A 50 -8.860 -2.701 1.394 1.00 0.00 C ATOM 725 CG ARG A 50 -8.286 -3.930 0.708 1.00 0.00 C ATOM 726 CD ARG A 50 -8.033 -5.054 1.700 1.00 0.00 C ATOM 727 NE ARG A 50 -7.472 -6.238 1.054 1.00 0.00 N ATOM 728 CZ ARG A 50 -7.466 -7.445 1.608 1.00 0.00 C ATOM 729 NH1 ARG A 50 -7.990 -7.627 2.813 1.00 0.00 N ATOM 730 NH2 ARG A 50 -6.937 -8.473 0.957 1.00 0.00 N ATOM 0 H ARG A 50 -11.206 -2.085 0.212 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.348 -3.857 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.849 -1.866 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.214 -2.426 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.975 -4.273 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.353 -3.667 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.350 -4.706 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.968 -5.319 2.194 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.062 -6.132 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.399 -6.839 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.984 -8.555 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.534 -8.337 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.933 -9.399 1.384 1.00 0.00 H new ATOM 744 N THR A 51 -9.867 -1.706 3.983 1.00 0.00 N ATOM 745 CA THR A 51 -10.096 -0.695 5.007 1.00 0.00 C ATOM 746 C THR A 51 -8.835 0.121 5.266 1.00 0.00 C ATOM 747 O THR A 51 -7.761 -0.204 4.762 1.00 0.00 O ATOM 748 CB THR A 51 -10.563 -1.331 6.330 1.00 0.00 C ATOM 749 OG1 THR A 51 -9.471 -2.013 6.958 1.00 0.00 O ATOM 750 CG2 THR A 51 -11.705 -2.307 6.088 1.00 0.00 C ATOM 0 H THR A 51 -9.079 -2.325 4.171 1.00 0.00 H new ATOM 0 HA THR A 51 -10.880 -0.037 4.632 1.00 0.00 H new ATOM 0 HB THR A 51 -10.919 -0.535 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.776 -2.413 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.018 -2.743 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.545 -1.779 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.371 -3.098 5.417 1.00 0.00 H new ATOM 758 N GLN A 52 -8.974 1.182 6.055 1.00 0.00 N ATOM 759 CA GLN A 52 -7.845 2.045 6.380 1.00 0.00 C ATOM 760 C GLN A 52 -6.683 1.232 6.942 1.00 0.00 C ATOM 761 O GLN A 52 -5.601 1.190 6.355 1.00 0.00 O ATOM 762 CB GLN A 52 -8.267 3.116 7.387 1.00 0.00 C ATOM 763 CG GLN A 52 -8.978 4.301 6.753 1.00 0.00 C ATOM 764 CD GLN A 52 -9.979 4.950 7.688 1.00 0.00 C ATOM 765 OE1 GLN A 52 -11.045 4.395 7.956 1.00 0.00 O ATOM 766 NE2 GLN A 52 -9.640 6.131 8.191 1.00 0.00 N ATOM 0 H GLN A 52 -9.857 1.464 6.481 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.515 2.530 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.923 2.665 8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.384 3.474 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.239 5.042 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.491 3.971 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.746 6.554 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.274 6.615 8.827 1.00 0.00 H new ATOM 775 N ASP A 53 -6.914 0.589 8.081 1.00 0.00 N ATOM 776 CA ASP A 53 -5.886 -0.224 8.722 1.00 0.00 C ATOM 777 C ASP A 53 -5.289 -1.222 7.735 1.00 0.00 C ATOM 778 O ASP A 53 -4.106 -1.150 7.405 1.00 0.00 O ATOM 779 CB ASP A 53 -6.470 -0.965 9.926 1.00 0.00 C ATOM 780 CG ASP A 53 -5.639 -2.170 10.322 1.00 0.00 C ATOM 781 OD1 ASP A 53 -4.400 -2.035 10.405 1.00 0.00 O ATOM 782 OD2 ASP A 53 -6.228 -3.247 10.550 1.00 0.00 O ATOM 0 H ASP A 53 -7.803 0.615 8.580 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.092 0.440 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.539 -0.281 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.485 -1.288 9.693 1.00 0.00 H new ATOM 787 N GLU A 54 -6.116 -2.153 7.270 1.00 0.00 N ATOM 788 CA GLU A 54 -5.668 -3.167 6.322 1.00 0.00 C ATOM 789 C GLU A 54 -4.707 -2.569 5.298 1.00 0.00 C ATOM 790 O GLU A 54 -3.619 -3.097 5.069 1.00 0.00 O ATOM 791 CB GLU A 54 -6.866 -3.795 5.608 1.00 0.00 C ATOM 792 CG GLU A 54 -7.704 -4.694 6.500 1.00 0.00 C ATOM 793 CD GLU A 54 -8.977 -5.165 5.824 1.00 0.00 C ATOM 794 OE1 GLU A 54 -9.577 -4.372 5.069 1.00 0.00 O ATOM 795 OE2 GLU A 54 -9.373 -6.328 6.049 1.00 0.00 O ATOM 0 H GLU A 54 -7.099 -2.226 7.534 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.141 -3.941 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.498 -3.001 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.508 -4.374 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.112 -5.560 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.960 -4.157 7.413 1.00 0.00 H new ATOM 802 N CYS A 55 -5.119 -1.464 4.686 1.00 0.00 N ATOM 803 CA CYS A 55 -4.296 -0.793 3.685 1.00 0.00 C ATOM 804 C CYS A 55 -2.942 -0.402 4.268 1.00 0.00 C ATOM 805 O CYS A 55 -1.901 -0.635 3.653 1.00 0.00 O ATOM 806 CB CYS A 55 -5.014 0.448 3.154 1.00 0.00 C ATOM 807 SG CYS A 55 -6.358 0.086 2.000 1.00 0.00 S ATOM 0 H CYS A 55 -6.017 -1.014 4.865 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.129 -1.488 2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.415 1.011 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.287 1.091 2.658 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.449 -0.152 2.666 1.00 0.00 H new ATOM 813 N ILE A 56 -2.964 0.194 5.455 1.00 0.00 N ATOM 814 CA ILE A 56 -1.738 0.618 6.119 1.00 0.00 C ATOM 815 C ILE A 56 -0.806 -0.565 6.360 1.00 0.00 C ATOM 816 O ILE A 56 0.395 -0.486 6.101 1.00 0.00 O ATOM 817 CB ILE A 56 -2.036 1.305 7.465 1.00 0.00 C ATOM 818 CG1 ILE A 56 -2.913 2.540 7.249 1.00 0.00 C ATOM 819 CG2 ILE A 56 -0.739 1.685 8.164 1.00 0.00 C ATOM 820 CD1 ILE A 56 -3.680 2.960 8.484 1.00 0.00 C ATOM 0 H ILE A 56 -3.817 0.394 5.977 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.250 1.332 5.456 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.577 0.605 8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.285 3.369 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.619 2.338 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.966 2.169 9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.148 0.788 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.173 2.370 7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.280 3.841 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.334 2.147 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.979 3.194 9.285 1.00 0.00 H new ATOM 832 N LEU A 57 -1.368 -1.662 6.856 1.00 0.00 N ATOM 833 CA LEU A 57 -0.588 -2.864 7.131 1.00 0.00 C ATOM 834 C LEU A 57 0.086 -3.377 5.862 1.00 0.00 C ATOM 835 O LEU A 57 1.309 -3.511 5.807 1.00 0.00 O ATOM 836 CB LEU A 57 -1.484 -3.953 7.722 1.00 0.00 C ATOM 837 CG LEU A 57 -2.371 -3.529 8.894 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.362 -4.630 9.238 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.521 -3.175 10.106 1.00 0.00 C ATOM 0 H LEU A 57 -2.361 -1.744 7.076 1.00 0.00 H new ATOM 0 HA LEU A 57 0.186 -2.608 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.124 -4.339 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.851 -4.778 8.051 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.932 -2.643 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.985 -4.311 10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.993 -4.835 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.820 -5.534 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.169 -2.876 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.933 -4.043 10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.852 -2.352 9.853 1.00 0.00 H new ATOM 851 N HIS A 58 -0.720 -3.661 4.844 1.00 0.00 N ATOM 852 CA HIS A 58 -0.201 -4.157 3.574 1.00 0.00 C ATOM 853 C HIS A 58 1.053 -3.391 3.163 1.00 0.00 C ATOM 854 O HIS A 58 2.023 -3.979 2.684 1.00 0.00 O ATOM 855 CB HIS A 58 -1.266 -4.039 2.483 1.00 0.00 C ATOM 856 CG HIS A 58 -0.931 -4.796 1.235 1.00 0.00 C ATOM 857 ND1 HIS A 58 -1.141 -4.493 -0.068 1.00 0.00 N flip ATOM 858 CD2 HIS A 58 -0.304 -6.024 1.245 1.00 0.00 C flip ATOM 859 CE1 HIS A 58 -0.642 -5.533 -0.813 1.00 0.00 C flip ATOM 860 NE2 HIS A 58 -0.141 -6.443 0.003 1.00 0.00 N flip ATOM 0 H HIS A 58 -1.734 -3.556 4.873 1.00 0.00 H new ATOM 0 HA HIS A 58 0.062 -5.207 3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.217 -4.402 2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.404 -2.987 2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.006 -6.560 2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.657 -5.597 -1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 58 0.297 -7.320 -0.278 1.00 0.00 H new ATOM 869 N PHE A 59 1.025 -2.076 3.352 1.00 0.00 N ATOM 870 CA PHE A 59 2.159 -1.229 2.999 1.00 0.00 C ATOM 871 C PHE A 59 3.386 -1.588 3.831 1.00 0.00 C ATOM 872 O PHE A 59 4.430 -1.957 3.292 1.00 0.00 O ATOM 873 CB PHE A 59 1.804 0.246 3.203 1.00 0.00 C ATOM 874 CG PHE A 59 2.969 1.174 3.013 1.00 0.00 C ATOM 875 CD1 PHE A 59 3.284 1.664 1.755 1.00 0.00 C ATOM 876 CD2 PHE A 59 3.750 1.558 4.091 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.355 2.519 1.577 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.822 2.413 3.919 1.00 0.00 C ATOM 879 CZ PHE A 59 5.126 2.893 2.660 1.00 0.00 C ATOM 0 H PHE A 59 0.230 -1.574 3.747 1.00 0.00 H new ATOM 0 HA PHE A 59 2.393 -1.397 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.013 0.521 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.403 0.380 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.685 1.374 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.518 1.185 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.589 2.894 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.422 2.706 4.768 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.965 3.559 2.523 1.00 0.00 H new ATOM 889 N LEU A 60 3.253 -1.478 5.148 1.00 0.00 N ATOM 890 CA LEU A 60 4.351 -1.790 6.057 1.00 0.00 C ATOM 891 C LEU A 60 5.117 -3.020 5.582 1.00 0.00 C ATOM 892 O LEU A 60 6.347 -3.057 5.635 1.00 0.00 O ATOM 893 CB LEU A 60 3.817 -2.022 7.472 1.00 0.00 C ATOM 894 CG LEU A 60 3.667 -0.776 8.345 1.00 0.00 C ATOM 895 CD1 LEU A 60 5.000 -0.057 8.484 1.00 0.00 C ATOM 896 CD2 LEU A 60 2.614 0.158 7.766 1.00 0.00 C ATOM 0 H LEU A 60 2.396 -1.175 5.611 1.00 0.00 H new ATOM 0 HA LEU A 60 5.034 -0.941 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.844 -2.508 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.483 -2.719 7.980 1.00 0.00 H new ATOM 0 HG LEU A 60 3.341 -1.089 9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.873 0.827 9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.728 -0.725 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.356 0.243 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.521 1.039 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.911 0.463 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.655 -0.359 7.720 1.00 0.00 H new ATOM 908 N ARG A 61 4.383 -4.026 5.117 1.00 0.00 N ATOM 909 CA ARG A 61 4.993 -5.257 4.632 1.00 0.00 C ATOM 910 C ARG A 61 5.853 -4.989 3.400 1.00 0.00 C ATOM 911 O ARG A 61 7.035 -5.337 3.367 1.00 0.00 O ATOM 912 CB ARG A 61 3.915 -6.290 4.299 1.00 0.00 C ATOM 913 CG ARG A 61 3.148 -6.783 5.516 1.00 0.00 C ATOM 914 CD ARG A 61 1.724 -7.175 5.155 1.00 0.00 C ATOM 915 NE ARG A 61 0.808 -7.005 6.280 1.00 0.00 N ATOM 916 CZ ARG A 61 0.747 -7.842 7.310 1.00 0.00 C ATOM 917 NH1 ARG A 61 1.545 -8.900 7.358 1.00 0.00 N ATOM 918 NH2 ARG A 61 -0.112 -7.620 8.297 1.00 0.00 N ATOM 0 H ARG A 61 3.364 -4.012 5.066 1.00 0.00 H new ATOM 0 HA ARG A 61 5.632 -5.651 5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.212 -5.854 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.381 -7.142 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.664 -7.640 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.130 -6.003 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.383 -6.570 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.706 -8.214 4.827 1.00 0.00 H new ATOM 0 HE ARG A 61 0.181 -6.200 6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.208 -9.073 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.496 -9.541 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.726 -6.806 8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.158 -8.263 9.087 1.00 0.00 H new ATOM 932 N LEU A 62 5.253 -4.370 2.390 1.00 0.00 N ATOM 933 CA LEU A 62 5.964 -4.055 1.155 1.00 0.00 C ATOM 934 C LEU A 62 7.413 -3.678 1.442 1.00 0.00 C ATOM 935 O LEU A 62 7.750 -3.178 2.515 1.00 0.00 O ATOM 936 CB LEU A 62 5.264 -2.912 0.418 1.00 0.00 C ATOM 937 CG LEU A 62 3.824 -3.179 -0.023 1.00 0.00 C ATOM 938 CD1 LEU A 62 3.182 -1.906 -0.550 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.784 -4.275 -1.078 1.00 0.00 C ATOM 0 H LEU A 62 4.276 -4.076 2.401 1.00 0.00 H new ATOM 0 HA LEU A 62 5.958 -4.944 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.268 -2.034 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.852 -2.661 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 62 3.256 -3.516 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.158 -2.116 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.177 -1.149 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.751 -1.538 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.752 -4.452 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.368 -3.967 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.203 -5.193 -0.665 1.00 0.00 H new ATOM 951 N PRO A 63 8.294 -3.921 0.459 1.00 0.00 N ATOM 952 CA PRO A 63 9.721 -3.612 0.581 1.00 0.00 C ATOM 953 C PRO A 63 9.992 -2.111 0.586 1.00 0.00 C ATOM 954 O PRO A 63 9.064 -1.305 0.654 1.00 0.00 O ATOM 955 CB PRO A 63 10.333 -4.262 -0.662 1.00 0.00 C ATOM 956 CG PRO A 63 9.218 -4.313 -1.650 1.00 0.00 C ATOM 957 CD PRO A 63 7.963 -4.515 -0.847 1.00 0.00 C ATOM 0 HA PRO A 63 10.138 -3.978 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.172 -3.679 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.712 -5.260 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.167 -3.391 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.362 -5.127 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.107 -4.021 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.710 -5.571 -0.755 1.00 0.00 H new ATOM 965 N ILE A 64 11.266 -1.744 0.512 1.00 0.00 N ATOM 966 CA ILE A 64 11.657 -0.340 0.506 1.00 0.00 C ATOM 967 C ILE A 64 12.127 0.094 -0.878 1.00 0.00 C ATOM 968 O ILE A 64 11.938 1.243 -1.276 1.00 0.00 O ATOM 969 CB ILE A 64 12.778 -0.063 1.526 1.00 0.00 C ATOM 970 CG1 ILE A 64 12.318 -0.440 2.936 1.00 0.00 C ATOM 971 CG2 ILE A 64 13.193 1.400 1.472 1.00 0.00 C ATOM 972 CD1 ILE A 64 12.573 -1.890 3.286 1.00 0.00 C ATOM 0 H ILE A 64 12.046 -2.399 0.455 1.00 0.00 H new ATOM 0 HA ILE A 64 10.773 0.234 0.784 1.00 0.00 H new ATOM 0 HB ILE A 64 13.642 -0.676 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 64 12.830 0.195 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 64 11.252 -0.234 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.986 1.580 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.556 1.639 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.335 2.030 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.222 -2.087 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.039 -2.533 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.642 -2.096 3.225 1.00 0.00 H new ATOM 984 N GLU A 65 12.737 -0.834 -1.608 1.00 0.00 N ATOM 985 CA GLU A 65 13.232 -0.547 -2.949 1.00 0.00 C ATOM 986 C GLU A 65 13.076 -1.762 -3.859 1.00 0.00 C ATOM 987 O GLU A 65 12.670 -2.836 -3.414 1.00 0.00 O ATOM 988 CB GLU A 65 14.701 -0.123 -2.895 1.00 0.00 C ATOM 989 CG GLU A 65 14.913 1.262 -2.306 1.00 0.00 C ATOM 990 CD GLU A 65 16.296 1.437 -1.709 1.00 0.00 C ATOM 991 OE1 GLU A 65 17.242 0.790 -2.204 1.00 0.00 O ATOM 992 OE2 GLU A 65 16.431 2.221 -0.746 1.00 0.00 O ATOM 0 H GLU A 65 12.900 -1.791 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 65 12.640 0.271 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.259 -0.849 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.115 -0.147 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.760 2.011 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.163 1.444 -1.536 1.00 0.00 H new ATOM 999 N ASP A 66 13.400 -1.584 -5.135 1.00 0.00 N ATOM 1000 CA ASP A 66 13.296 -2.666 -6.108 1.00 0.00 C ATOM 1001 C ASP A 66 13.586 -4.014 -5.455 1.00 0.00 C ATOM 1002 O ASP A 66 14.737 -4.425 -5.308 1.00 0.00 O ATOM 1003 CB ASP A 66 14.263 -2.429 -7.270 1.00 0.00 C ATOM 1004 CG ASP A 66 14.280 -0.982 -7.723 1.00 0.00 C ATOM 1005 OD1 ASP A 66 14.855 -0.142 -7.002 1.00 0.00 O ATOM 1006 OD2 ASP A 66 13.717 -0.691 -8.800 1.00 0.00 O ATOM 0 H ASP A 66 13.737 -0.701 -5.520 1.00 0.00 H new ATOM 0 HA ASP A 66 12.276 -2.681 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.268 -2.724 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.982 -3.066 -8.109 1.00 0.00 H new ATOM 1011 N PRO A 67 12.518 -4.718 -5.053 1.00 0.00 N ATOM 1012 CA PRO A 67 12.632 -6.030 -4.409 1.00 0.00 C ATOM 1013 C PRO A 67 13.104 -7.111 -5.375 1.00 0.00 C ATOM 1014 O PRO A 67 13.722 -8.095 -4.967 1.00 0.00 O ATOM 1015 CB PRO A 67 11.205 -6.320 -3.938 1.00 0.00 C ATOM 1016 CG PRO A 67 10.336 -5.528 -4.853 1.00 0.00 C ATOM 1017 CD PRO A 67 11.117 -4.289 -5.196 1.00 0.00 C ATOM 0 HA PRO A 67 13.368 -6.026 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.977 -7.384 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.062 -6.021 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.093 -6.097 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.392 -5.273 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.903 -3.947 -6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.879 -3.465 -4.524 1.00 0.00 H new ATOM 1025 N TYR A 68 12.810 -6.922 -6.656 1.00 0.00 N ATOM 1026 CA TYR A 68 13.203 -7.883 -7.681 1.00 0.00 C ATOM 1027 C TYR A 68 14.122 -7.235 -8.711 1.00 0.00 C ATOM 1028 O TYR A 68 13.813 -7.202 -9.903 1.00 0.00 O ATOM 1029 CB TYR A 68 11.965 -8.456 -8.374 1.00 0.00 C ATOM 1030 CG TYR A 68 11.277 -7.473 -9.294 1.00 0.00 C ATOM 1031 CD1 TYR A 68 10.558 -6.399 -8.784 1.00 0.00 C ATOM 1032 CD2 TYR A 68 11.347 -7.618 -10.674 1.00 0.00 C ATOM 1033 CE1 TYR A 68 9.927 -5.500 -9.621 1.00 0.00 C ATOM 1034 CE2 TYR A 68 10.720 -6.723 -11.519 1.00 0.00 C ATOM 1035 CZ TYR A 68 10.011 -5.665 -10.988 1.00 0.00 C ATOM 1036 OH TYR A 68 9.385 -4.771 -11.825 1.00 0.00 O ATOM 0 H TYR A 68 12.301 -6.112 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 68 13.746 -8.693 -7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 68 12.255 -9.336 -8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 68 11.256 -8.789 -7.616 1.00 0.00 H new ATOM 0 HD1 TYR A 68 10.491 -6.265 -7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.901 -8.445 -11.093 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.371 -4.672 -9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.784 -6.851 -12.589 1.00 0.00 H new ATOM 0 HH TYR A 68 9.543 -5.030 -12.757 1.00 0.00 H new ATOM 1046 N LEU A 69 15.254 -6.721 -8.244 1.00 0.00 N ATOM 1047 CA LEU A 69 16.221 -6.073 -9.123 1.00 0.00 C ATOM 1048 C LEU A 69 17.571 -5.921 -8.430 1.00 0.00 C ATOM 1049 O LEU A 69 17.695 -5.196 -7.444 1.00 0.00 O ATOM 1050 CB LEU A 69 15.703 -4.703 -9.562 1.00 0.00 C ATOM 1051 CG LEU A 69 16.217 -4.191 -10.909 1.00 0.00 C ATOM 1052 CD1 LEU A 69 15.209 -3.242 -11.539 1.00 0.00 C ATOM 1053 CD2 LEU A 69 17.565 -3.505 -10.740 1.00 0.00 C ATOM 0 H LEU A 69 15.525 -6.740 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 69 16.354 -6.703 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.615 -4.744 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.966 -3.975 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 69 16.347 -5.044 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.592 -2.888 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.266 -3.765 -11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.046 -2.392 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.915 -3.147 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.461 -2.662 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.286 -4.214 -10.333 1.00 0.00 H new ATOM 1065 N GLU A 70 18.581 -6.609 -8.955 1.00 0.00 N ATOM 1066 CA GLU A 70 19.923 -6.548 -8.386 1.00 0.00 C ATOM 1067 C GLU A 70 20.713 -5.386 -8.980 1.00 0.00 C ATOM 1068 O GLU A 70 20.482 -4.983 -10.119 1.00 0.00 O ATOM 1069 CB GLU A 70 20.665 -7.863 -8.632 1.00 0.00 C ATOM 1070 CG GLU A 70 21.059 -8.078 -10.084 1.00 0.00 C ATOM 1071 CD GLU A 70 21.270 -9.541 -10.421 1.00 0.00 C ATOM 1072 OE1 GLU A 70 20.322 -10.334 -10.244 1.00 0.00 O ATOM 1073 OE2 GLU A 70 22.384 -9.892 -10.863 1.00 0.00 O ATOM 0 H GLU A 70 18.496 -7.214 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 70 19.828 -6.388 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 70 21.562 -7.885 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 70 20.035 -8.692 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.284 -7.668 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 70 21.975 -7.525 -10.294 1.00 0.00 H new ATOM 1080 N ASN A 71 21.648 -4.853 -8.200 1.00 0.00 N ATOM 1081 CA ASN A 71 22.472 -3.737 -8.648 1.00 0.00 C ATOM 1082 C ASN A 71 23.956 -4.075 -8.530 1.00 0.00 C ATOM 1083 O ASN A 71 24.432 -4.459 -7.462 1.00 0.00 O ATOM 1084 CB ASN A 71 22.157 -2.483 -7.830 1.00 0.00 C ATOM 1085 CG ASN A 71 20.666 -2.250 -7.680 1.00 0.00 C ATOM 1086 OD1 ASN A 71 20.070 -1.473 -8.426 1.00 0.00 O ATOM 1087 ND2 ASN A 71 20.057 -2.923 -6.711 1.00 0.00 N ATOM 0 H ASN A 71 21.854 -5.176 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 71 22.243 -3.546 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 71 22.609 -2.574 -6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 71 22.611 -1.616 -8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.055 -2.806 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 71 20.591 -3.557 -6.117 1.00 0.00 H new ATOM 1094 N SER A 72 24.680 -3.928 -9.635 1.00 0.00 N ATOM 1095 CA SER A 72 26.108 -4.221 -9.657 1.00 0.00 C ATOM 1096 C SER A 72 26.912 -3.043 -9.115 1.00 0.00 C ATOM 1097 O SER A 72 27.481 -2.262 -9.877 1.00 0.00 O ATOM 1098 CB SER A 72 26.561 -4.550 -11.081 1.00 0.00 C ATOM 1099 OG SER A 72 27.960 -4.769 -11.133 1.00 0.00 O ATOM 0 H SER A 72 24.301 -3.608 -10.526 1.00 0.00 H new ATOM 0 HA SER A 72 26.286 -5.086 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.037 -5.437 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.293 -3.732 -11.750 1.00 0.00 H new ATOM 0 HG SER A 72 28.224 -4.979 -12.053 1.00 0.00 H new ATOM 1105 N ASP A 73 26.955 -2.923 -7.792 1.00 0.00 N ATOM 1106 CA ASP A 73 27.690 -1.842 -7.146 1.00 0.00 C ATOM 1107 C ASP A 73 28.757 -2.395 -6.208 1.00 0.00 C ATOM 1108 O ASP A 73 28.615 -3.493 -5.668 1.00 0.00 O ATOM 1109 CB ASP A 73 26.731 -0.937 -6.370 1.00 0.00 C ATOM 1110 CG ASP A 73 27.229 0.492 -6.280 1.00 0.00 C ATOM 1111 OD1 ASP A 73 27.746 1.006 -7.294 1.00 0.00 O ATOM 1112 OD2 ASP A 73 27.101 1.097 -5.195 1.00 0.00 O ATOM 0 H ASP A 73 26.490 -3.561 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 73 28.182 -1.256 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 73 25.754 -0.948 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 73 26.594 -1.335 -5.365 1.00 0.00 H new ATOM 1117 N SER A 74 29.827 -1.629 -6.019 1.00 0.00 N ATOM 1118 CA SER A 74 30.921 -2.045 -5.150 1.00 0.00 C ATOM 1119 C SER A 74 30.506 -1.979 -3.683 1.00 0.00 C ATOM 1120 O SER A 74 29.484 -1.386 -3.342 1.00 0.00 O ATOM 1121 CB SER A 74 32.150 -1.163 -5.383 1.00 0.00 C ATOM 1122 OG SER A 74 33.326 -1.789 -4.900 1.00 0.00 O ATOM 0 H SER A 74 29.959 -0.717 -6.456 1.00 0.00 H new ATOM 0 HA SER A 74 31.171 -3.078 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 74 32.256 -0.955 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 74 32.013 -0.204 -4.883 1.00 0.00 H new ATOM 0 HG SER A 74 34.097 -1.206 -5.062 1.00 0.00 H new ATOM 1128 N GLY A 75 31.307 -2.595 -2.819 1.00 0.00 N ATOM 1129 CA GLY A 75 31.006 -2.596 -1.399 1.00 0.00 C ATOM 1130 C GLY A 75 32.043 -3.347 -0.587 1.00 0.00 C ATOM 1131 O GLY A 75 32.761 -4.206 -1.100 1.00 0.00 O ATOM 0 H GLY A 75 32.159 -3.093 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.945 -1.568 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.027 -3.047 -1.239 1.00 0.00 H new ATOM 1135 N PRO A 76 32.133 -3.021 0.711 1.00 0.00 N ATOM 1136 CA PRO A 76 33.088 -3.659 1.622 1.00 0.00 C ATOM 1137 C PRO A 76 32.732 -5.113 1.911 1.00 0.00 C ATOM 1138 O PRO A 76 31.803 -5.664 1.319 1.00 0.00 O ATOM 1139 CB PRO A 76 32.978 -2.818 2.896 1.00 0.00 C ATOM 1140 CG PRO A 76 31.610 -2.230 2.845 1.00 0.00 C ATOM 1141 CD PRO A 76 31.310 -2.006 1.389 1.00 0.00 C ATOM 0 HA PRO A 76 34.093 -3.692 1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 76 33.113 -3.431 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 76 33.742 -2.041 2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 76 30.879 -2.902 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 76 31.567 -1.293 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 76 30.250 -2.138 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 76 31.576 -0.997 1.074 1.00 0.00 H new ATOM 1149 N SER A 77 33.475 -5.730 2.824 1.00 0.00 N ATOM 1150 CA SER A 77 33.239 -7.122 3.189 1.00 0.00 C ATOM 1151 C SER A 77 33.545 -7.356 4.665 1.00 0.00 C ATOM 1152 O SER A 77 34.279 -6.589 5.287 1.00 0.00 O ATOM 1153 CB SER A 77 34.096 -8.050 2.325 1.00 0.00 C ATOM 1154 OG SER A 77 33.891 -9.407 2.677 1.00 0.00 O ATOM 0 H SER A 77 34.246 -5.288 3.325 1.00 0.00 H new ATOM 0 HA SER A 77 32.186 -7.344 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 77 33.850 -7.903 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 77 35.149 -7.795 2.445 1.00 0.00 H new ATOM 0 HG SER A 77 34.448 -9.980 2.110 1.00 0.00 H new ATOM 1160 N SER A 78 32.975 -8.422 5.219 1.00 0.00 N ATOM 1161 CA SER A 78 33.183 -8.756 6.623 1.00 0.00 C ATOM 1162 C SER A 78 33.375 -10.259 6.800 1.00 0.00 C ATOM 1163 O SER A 78 32.516 -11.055 6.425 1.00 0.00 O ATOM 1164 CB SER A 78 31.996 -8.280 7.463 1.00 0.00 C ATOM 1165 OG SER A 78 31.822 -6.878 7.351 1.00 0.00 O ATOM 0 H SER A 78 32.366 -9.068 4.717 1.00 0.00 H new ATOM 0 HA SER A 78 34.086 -8.249 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 78 31.089 -8.789 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.155 -8.548 8.508 1.00 0.00 H new ATOM 0 HG SER A 78 31.057 -6.599 7.896 1.00 0.00 H new ATOM 1171 N GLY A 79 34.512 -10.640 7.377 1.00 0.00 N ATOM 1172 CA GLY A 79 34.798 -12.046 7.594 1.00 0.00 C ATOM 1173 C GLY A 79 35.010 -12.374 9.059 1.00 0.00 C ATOM 1174 O GLY A 79 35.439 -13.477 9.399 1.00 0.00 O ATOM 0 H GLY A 79 35.239 -10.000 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.975 -12.645 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 79 35.688 -12.324 7.030 1.00 0.00 H new TER 1178 GLY A 79